| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.1 | Low | 80.6 | Confident | 172 Ų | 172 | 49.7 Ų | 49.7 | 85% | 0.847 | 26% | 0.264 | S | S | * | . | 0 | 134.9 | 0 | -69.9 | 178.3 | -75.3 | 0 | 0 | 107.1 | Y56 Q57 | M1-Y56 WeakPolarHBondContact O-CA 3.44Å; M1-Q57 PolarHBondContact O-N 3.43Å | |||
| 2 | I | 81.3 | Confident | 80 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 22% | 0.221 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.3 | 167 | -66.8 | 179.6 | 0 | 0 | 0 | 106.7 | V4 V18 Y25 I54 T55 Y56 | I2-V4 HydrophobicContact CG2-CG2 3.96Å; I2-V18 HydrophobicContact CG2-CG1 4.38Å; I2-V18 HydrophobicContact CG2-CG2 4.28Å; I2-Y25 HydrophobicContact CD1-CD1 3.84Å; I2-Y25 HydrophobicContact CD1-CD2 3.59Å; I2-Y25 HydrophobicContact CD1-CE1 3.87Å; I2-Y25 HydrophobicContact CD1-CE2 3.64Å; I2-Y25 HydrophobicContact CD1-CG 3.69Å; I2-I54 HydrophobicContact CG2-CG2 4.08Å; I2-T55 VanDerWaalsContact CA-O 3.24Å; I2-T55 WeakPolarHBondContact CA-O 3.26Å; I2-T55 WeakPolarHBondContact CG2-O 3.19Å; I2-Y56 HydrophobicContact CD1-CD2 4.4Å; I2-Y56 HydrophobicContact CG1-CD2 3.71Å |
| 3 | D | 83.9 | Confident | 80 | Confident | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 145.7 | 165 | -163.9 | 6.7 | 0 | 0 | 0 | 107.7 | R15 T55 | D3-R15 IonicContact OD1-NE 3.2Å; D3-R15 PolarHBondContact OD1-NE 3.17Å; D3-R15 IonicContact OD2-CZ 3.5Å; D3-R15 IonicContact OD2-NE 3.39Å; D3-R15 PolarHBondContact OD2-NE 2.78Å; D3-R15 IonicContact OD2-NH2 2.71Å; D3-R15 PolarHBondContact OD2-NH2 3.49Å; D3-T55 PolarHBondContact N-O 2.82Å; D3-T55 VanDerWaalsContact N-O 3.11Å; D3-T55 PolarHBondContact O-N 3.42Å |
| 4 | V | 87.9 | Confident | 79.9 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.2 | 174 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I2 R15 C16 V18 T27 I52 S53 I54 | I2-V4 HydrophobicContact CG2-CG2 3.96Å; V4-R15 WeakPolarHBondContact O-CA 3Å; V4-C16 HydrophobicContact CB-CB 4.13Å; V4-C16 HydrophobicContact CG1-CB 4.11Å; V4-C16 PolarHBondContact O-N 2.93Å; V4-V18 HydrophobicContact CB-CG2 4.17Å; V4-V18 HydrophobicContact CG2-CG2 3.66Å; V4-T27 HydrophobicContact CB-CG2 4.25Å; V4-T27 HydrophobicContact CG1-CG2 3.99Å; V4-T27 HydrophobicContact CG2-CG2 4.21Å; V4-I52 HydrophobicContact CG1-CG2 4.02Å; V4-S53 WeakPolarHBondContact CA-O 3.28Å; V4-I54 HydrophobicContact CG1-CG1 3.96Å; V4-I54 HydrophobicContact CG2-CB 4.34Å; V4-I54 HydrophobicContact CG2-CG1 3.96Å; V4-I54 HydrophobicContact CG2-CG2 4.08Å |
| 5 | I | 87.6 | Confident | 79.9 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.8 | -176.7 | -71.8 | 169.7 | 0 | 0 | 0 | 107.6 | V7 I13 Q14 R15 I52 S53 | I5-V7 HydrophobicContact CG2-CG2 3.72Å; I5-I13 HydrophobicContact CG1-CG2 4.48Å; I5-I13 HydrophobicContact CG2-CB 4.49Å; I5-I13 HydrophobicContact CG2-CG2 3.78Å; I5-Q14 WeakPolarHBondContact CA-O 3.45Å; I5-R15 HydrophobicContact CD1-CG 4.44Å; I5-R15 HydrophobicContact CG1-CG 3.79Å; I5-I52 CarbonylContact O-C 3.42Å; I5-I52 WeakPolarHBondContact O-CA 3.36Å; I5-S53 PolarHBondContact N-O 3.07Å; I5-S53 PolarHBondContact O-N 2.92Å |
| 6 | A | 85.1 | Confident | 80 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q14 F29 W50 | A6-Q14 HydrophobicContact CB-CB 4.49Å; A6-Q14 PolarHBondContact N-O 2.89Å; A6-Q14 PolarHBondContact O-N 3.1Å; A6-F29 HydrophobicContact CB-CD1 4.48Å; A6-F29 HydrophobicContact CB-CD2 3.78Å; A6-F29 HydrophobicContact CB-CE2 4Å; A6-F29 HydrophobicContact CB-CG 4.04Å; A6-F29 HydrophobicContact CB-CZ 4.45Å; A6-W50 HydrophobicContact CB-CE3 4.02Å; A6-W50 HydrophobicContact CB-CZ3 4.2Å |
| 7 | V | 82.6 | Confident | 79.9 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.6 | 176.9 | -172.2 | 0 | 0 | 0 | 0 | 108 | I5 E11 R12 I13 W50 R51 | I5-V7 HydrophobicContact CG2-CG2 3.72Å; V7-E11 WeakPolarHBondContact CG1-OE2 3.28Å; V7-R12 WeakPolarHBondContact CA-O 3.35Å; V7-I13 HydrophobicContact CG2-CG1 4.39Å; V7-W50 WeakPolarHBondContact O-CA 3.32Å; V7-R51 HydrophobicContact CB-CB 4.25Å; V7-R51 PolarHBondContact N-O 2.96Å; V7-R51 PolarHBondContact O-N 3.01Å |
| 8 | S | 80 | Confident | 80 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | trans | -73.4 | 165.6 | -180 | 82.8 | 0 | 0 | 0 | 0 | 112.2 | T10 E11 R12 E33 | S8-T10 PolarHBondContact O-N 3.16Å; S8-T10 PolarHBondContact OG-N 3.11Å; S8-T10 VanDerWaalsContact OG-N 3.12Å; S8-T10 PolarHBondContact OG-OG1 3.21Å; S8-T10 VanDerWaalsContact OG-OG1 3.1Å; S8-E11 WeakPolarHBondContact O-CA 3.37Å; S8-E11 PolarHBondContact O-N 2.82Å; S8-R12 PolarHBondContact N-O 3.37Å; S8-R12 PolarHBondContact OG-N 2.83Å; S8-E33 VanDerWaalsContact CB-OE1 3.3Å; S8-E33 WeakPolarHBondContact CB-OE1 3.38Å; S8-E33 PolarHBondContact OG-OE1 2.89Å | ||
| 9 | P | 74.4 | Confident | 79.8 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -14.3 | 168.8 | -26.6 | 33.7 | 0 | 0 | 0 | 115.4 | V46 E49 | P9-V46 HydrophobicContact CB-CG1 4.42Å; P9-V46 HydrophobicContact CG-CG1 4.11Å; P9-E49 WeakPolarHBondContact CG-O 3.36Å |
| 10 | T | 76 | Confident | 79.8 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 10.8 | 175.7 | 82.5 | 0 | 0 | 0 | 0 | 113.1 | S8 R12 E33 V46 | S8-T10 PolarHBondContact O-N 3.16Å; S8-T10 PolarHBondContact OG-N 3.11Å; S8-T10 VanDerWaalsContact OG-N 3.12Å; S8-T10 PolarHBondContact OG-OG1 3.21Å; S8-T10 VanDerWaalsContact OG-OG1 3.1Å; T10-R12 VanDerWaalsContact C-N 3.25Å; T10-R12 PolarHBondContact O-N 2.8Å; T10-E33 WeakPolarHBondContact CG2-OE1 3.23Å; T10-E33 PolarHBondContact OG1-OE1 3.15Å; T10-E33 PolarHBondContact OG1-OE2 3.36Å; T10-V46 HydrophobicContact CG2-CG1 4.34Å |
| 11 | E | 81.2 | Confident | 79.3 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | 62.3 | 21.6 | -171.8 | -54.3 | -71.2 | 177.8 | 0 | 0 | 114.2 | V7 S8 I13 R51 | V7-E11 WeakPolarHBondContact CG1-OE2 3.28Å; S8-E11 WeakPolarHBondContact O-CA 3.37Å; S8-E11 PolarHBondContact O-N 2.82Å; E11-I13 PolarHBondContact O-N 3.31Å; E11-R51 VanDerWaalsContact CD-NH2 3.3Å; E11-R51 IonicContact OE1-CZ 3.52Å; E11-R51 IonicContact OE1-NH1 2.87Å; E11-R51 IonicContact OE1-NH2 2.75Å; E11-R51 PolarHBondContact OE1-NH2 3.27Å; E11-R51 IonicContact OE2-CZ 3.74Å; E11-R51 IonicContact OE2-NH1 3.62Å; E11-R51 PolarHBondContact OE2-NH1 2.82Å; E11-R51 IonicContact OE2-NH2 3.93Å; E11-R51 PolarHBondContact OE2-NH2 2.93Å | ||
| 12 | R | 73.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | trans | -76 | 122.4 | 171.5 | -77.8 | -155.6 | 179 | 134.2 | 3.7 | 111.6 | V7 S8 T10 E33 | V7-R12 WeakPolarHBondContact CA-O 3.35Å; S8-R12 PolarHBondContact N-O 3.37Å; S8-R12 PolarHBondContact OG-N 2.83Å; T10-R12 VanDerWaalsContact C-N 3.25Å; T10-R12 PolarHBondContact O-N 2.8Å; R12-E33 HydrophobicContact CB-CG 4.41Å; R12-E33 VanDerWaalsContact CD-OE2 3.27Å; R12-E33 WeakPolarHBondContact CD-OE2 3.42Å; R12-E33 IonicContact CZ-OE2 3.26Å; R12-E33 VanDerWaalsContact CZ-OE2 3.32Å; R12-E33 IonicContact NE-OE2 3.53Å; R12-E33 IonicContact NH1-OE2 3.58Å; R12-E33 PolarHBondContact NH1-OE2 2.92Å | ||
| 13 | I | 80.6 | Confident | 78.9 | Confident | 122 Ų | 122 | 81.6 Ų | 81.6 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114 | 177.8 | -68.6 | 173.2 | 0 | 0 | 0 | 110 | I5 V7 E11 | I5-I13 HydrophobicContact CG1-CG2 4.48Å; I5-I13 HydrophobicContact CG2-CB 4.49Å; I5-I13 HydrophobicContact CG2-CG2 3.78Å; V7-I13 HydrophobicContact CG2-CG1 4.39Å; E11-I13 PolarHBondContact O-N 3.31Å |
| 14 | Q | 77.9 | Confident | 78.3 | Confident | 47 Ų | 47 | 83.1 Ų | 83.1 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 110.1 | 173.2 | -168.8 | -171.4 | 57.1 | 0 | 0 | 108.6 | I5 A6 C16 F29 V30 D32 | I5-Q14 WeakPolarHBondContact CA-O 3.45Å; A6-Q14 HydrophobicContact CB-CB 4.49Å; A6-Q14 PolarHBondContact N-O 2.89Å; A6-Q14 PolarHBondContact O-N 3.1Å; Q14-C16 PolarHBondContact O-SG 3.25Å; Q14-F29 VanDerWaalsContact OE1-CD2 3.31Å; Q14-V30 PolarHBondContact NE2-O 2.6Å; Q14-V30 PolarHBondContact OE1-O 2.85Å; Q14-D32 PolarHBondContact NE2-O 3.46Å |
| 15 | R | 80.2 | Confident | 77.8 | Confident | 183 Ų | 183 | 88.1 Ų | 88.1 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.8 | 171.8 | -90.8 | -178.8 | 160.9 | 139.3 | -0.9 | 110.1 | D3 V4 I5 | D3-R15 IonicContact OD1-NE 3.2Å; D3-R15 PolarHBondContact OD1-NE 3.17Å; D3-R15 IonicContact OD2-CZ 3.5Å; D3-R15 IonicContact OD2-NE 3.39Å; D3-R15 PolarHBondContact OD2-NE 2.78Å; D3-R15 IonicContact OD2-NH2 2.71Å; D3-R15 PolarHBondContact OD2-NH2 3.49Å; V4-R15 WeakPolarHBondContact O-CA 3Å; I5-R15 HydrophobicContact CD1-CG 4.44Å; I5-R15 HydrophobicContact CG1-CG 3.79Å |
| 16 | C | 82.2 | Confident | 77.3 | Confident | 10 Ų | 10 | 92.5 Ų | 92.5 | 7% | 0.068 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 132.3 | -174.8 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | V4 Q14 V18 T27 F29 | V4-C16 HydrophobicContact CB-CB 4.13Å; V4-C16 HydrophobicContact CG1-CB 4.11Å; V4-C16 PolarHBondContact O-N 2.93Å; Q14-C16 PolarHBondContact O-SG 3.25Å; C16-V18 PolarHBondContact O-N 2.89Å; C16-T27 HydrophobicContact CB-CG2 4.32Å; C16-T27 WeakPolarHBondContact CB-OG1 3.47Å; C16-F29 HydrophobicContact CB-CB 4.47Å |
| 17 | F | 78 | Confident | 77.1 | Confident | 159 Ų | 159 | 94.8 Ų | 94.8 | 70% | 0.697 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 126.2 | -176.6 | -176.3 | -106.7 | 0 | 0 | 0 | 111.1 | Q19 T27 | F17-Q19 HydrophobicContact CD1-CG 3.93Å; F17-Q19 HydrophobicContact CE1-CG 3.67Å; F17-T27 WeakPolarHBondContact O-CA 3.44Å; F17-T27 VanDerWaalsContact O-CB 3.3Å; F17-T27 WeakPolarHBondContact O-CB 3.29Å; F17-T27 PolarHBondContact O-OG1 2.94Å |
| 18 | V | 82.1 | Confident | 76.7 | Confident | 34 Ų | 34 | 100.5 Ų | 100.5 | 21% | 0.206 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.3 | -177 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | I2 V4 C16 Y25 | I2-V18 HydrophobicContact CG2-CG1 4.38Å; I2-V18 HydrophobicContact CG2-CG2 4.28Å; V4-V18 HydrophobicContact CB-CG2 4.17Å; V4-V18 HydrophobicContact CG2-CG2 3.66Å; C16-V18 PolarHBondContact O-N 2.89Å; V18-Y25 HydrophobicContact CG1-CD1 3.93Å; V18-Y25 HydrophobicContact CG1-CG 4.41Å |
| 19 | Q | 76.4 | Confident | 76.5 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.7 | 170.5 | -68.2 | -176.1 | 2.8 | 0 | 0 | 110.2 | F17 Y25 K26 | F17-Q19 HydrophobicContact CD1-CG 3.93Å; F17-Q19 HydrophobicContact CE1-CG 3.67Å; Q19-Y25 CarbonylContact O-C 3.57Å; Q19-Y25 WeakPolarHBondContact O-CA 3.46Å; Q19-K26 PolarHBondContact N-O 2.82Å; Q19-K26 PolarHBondContact O-N 2.88Å |
| 20 | Q | 78.8 | Confident | 76.5 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.9 | 170.9 | -172.3 | 178.8 | 6.8 | 0 | 0 | 110.1 | A24 Y25 | Q20-A24 WeakPolarHBondContact CA-O 3.39Å; Q20-Y25 HydrophobicContact CB-CD1 3.77Å; Q20-Y25 HydrophobicContact CB-CE1 3.74Å; Q20-Y25 VanDerWaalsContact CD-CE1 3.41Å; Q20-Y25 HydrophobicContact CG-CD1 3.82Å; Q20-Y25 HydrophobicContact CG-CE1 3.49Å; Q20-Y25 VanDerWaalsContact CG-CE1 3.49Å; Q20-Y25 PolarHBondContact NE2-OH 2.82Å |
| 21 | R | 69.6 | Low | 76.3 | Confident | 193 Ų | 193 | 101 Ų | 101 | 73% | 0.728 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 124.1 | 175.3 | -151.9 | 178.3 | -175.6 | 179.3 | 1.7 | 110.3 | G23 A24 | R21-G23 VanDerWaalsContact C-N 3.27Å; R21-G23 PolarHBondContact O-N 3Å; R21-A24 PolarHBondContact N-O 2.71Å; R21-A24 PolarHBondContact O-N 2.78Å |
| 22 | F | 69.3 | Low | 75.9 | Confident | 202 Ų | 202 | 96.7 Ų | 96.7 | 89% | 0.886 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.9 | -179.8 | -54.4 | -64.6 | 0 | 0 | 0 | 115 | A24 | F22-A24 PolarHBondContact O-N 2.77Š|
| 23 | G | 69.4 | Low | 75.5 | Confident | 58 Ų | 58 | 91.7 Ų | 91.7 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -14.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R21 | R21-G23 VanDerWaalsContact C-N 3.27Å; R21-G23 PolarHBondContact O-N 3Å |
| 24 | A | 70.5 | Confident | 74.2 | Confident | 65 Ų | 65 | 89 Ų | 89 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 152.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q20 R21 F22 | Q20-A24 WeakPolarHBondContact CA-O 3.39Å; R21-A24 PolarHBondContact N-O 2.71Å; R21-A24 PolarHBondContact O-N 2.78Å; F22-A24 PolarHBondContact O-N 2.77Å |
| 25 | Y | 78.5 | Confident | 72.9 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 43% | 0.431 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.5 | 172.8 | -60.6 | -88.2 | 0 | 0 | 0 | 109.2 | I2 V18 Q19 Q20 | I2-Y25 HydrophobicContact CD1-CD1 3.84Å; I2-Y25 HydrophobicContact CD1-CD2 3.59Å; I2-Y25 HydrophobicContact CD1-CE1 3.87Å; I2-Y25 HydrophobicContact CD1-CE2 3.64Å; I2-Y25 HydrophobicContact CD1-CG 3.69Å; V18-Y25 HydrophobicContact CG1-CD1 3.93Å; V18-Y25 HydrophobicContact CG1-CG 4.41Å; Q19-Y25 CarbonylContact O-C 3.57Å; Q19-Y25 WeakPolarHBondContact O-CA 3.46Å; Q20-Y25 HydrophobicContact CB-CD1 3.77Å; Q20-Y25 HydrophobicContact CB-CE1 3.74Å; Q20-Y25 VanDerWaalsContact CD-CE1 3.41Å; Q20-Y25 HydrophobicContact CG-CD1 3.82Å; Q20-Y25 HydrophobicContact CG-CE1 3.49Å; Q20-Y25 VanDerWaalsContact CG-CE1 3.49Å; Q20-Y25 PolarHBondContact NE2-OH 2.82Å |
| 26 | K | 77.6 | Confident | 71 | Confident | 125 Ų | 125 | 92 Ų | 92 | 54% | 0.543 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142 | 174.1 | -165.5 | -170.8 | -174 | -164.5 | 0 | 109.6 | Q19 E28 | Q19-K26 PolarHBondContact N-O 2.82Å; Q19-K26 PolarHBondContact O-N 2.88Å; K26-E28 VanDerWaalsContact CE-OE1 3.24Å; K26-E28 WeakPolarHBondContact CE-OE1 3.34Å; K26-E28 IonicContact NZ-OE1 2.77Å; K26-E28 PolarHBondContact NZ-OE1 2.83Å |
| 27 | T | 79.7 | Confident | 69 | Low | 49 Ų | 49 | 98.8 Ų | 98.8 | 30% | 0.301 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 158.6 | 165.6 | -166.1 | 0 | 0 | 0 | 0 | 109.7 | V4 C16 F17 | V4-T27 HydrophobicContact CB-CG2 4.25Å; V4-T27 HydrophobicContact CG1-CG2 3.99Å; V4-T27 HydrophobicContact CG2-CG2 4.21Å; C16-T27 HydrophobicContact CB-CG2 4.32Å; C16-T27 WeakPolarHBondContact CB-OG1 3.47Å; F17-T27 WeakPolarHBondContact O-CA 3.44Å; F17-T27 VanDerWaalsContact O-CB 3.3Å; F17-T27 WeakPolarHBondContact O-CB 3.29Å; F17-T27 PolarHBondContact O-OG1 2.94Å |
| 28 | E | 74.8 | Confident | 67.1 | Low | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | trans | -137.6 | 141.2 | 176.9 | -70 | 174.9 | -162.5 | 0 | 0 | 107.6 | K26 | K26-E28 VanDerWaalsContact CE-OE1 3.24Å; K26-E28 WeakPolarHBondContact CE-OE1 3.34Å; K26-E28 IonicContact NZ-OE1 2.77Å; K26-E28 PolarHBondContact NZ-OE1 2.83Å | ||
| 29 | F | 76.6 | Confident | 65.3 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 30% | 0.303 | 52% | 0.516 | S | S | . | . | trans | -134.7 | 159.5 | 174.3 | 83.9 | -81.5 | 0 | 0 | 0 | 109.5 | A6 Q14 C16 A31 W50 I52 | A6-F29 HydrophobicContact CB-CD1 4.48Å; A6-F29 HydrophobicContact CB-CD2 3.78Å; A6-F29 HydrophobicContact CB-CE2 4Å; A6-F29 HydrophobicContact CB-CG 4.04Å; A6-F29 HydrophobicContact CB-CZ 4.45Å; Q14-F29 VanDerWaalsContact OE1-CD2 3.31Å; C16-F29 HydrophobicContact CB-CB 4.47Å; F29-A31 HydrophobicContact CE2-CB 4.44Å; F29-W50 HydrophobicContact CD2-CE3 4.32Å; F29-W50 HydrophobicContact CD2-CZ3 4.28Å; F29-W50 HydrophobicContact CE2-CD2 4.03Å; F29-W50 AromaticContact CE2-CE3 3.69Å; F29-W50 HydrophobicContact CE2-CE3 3.69Å; F29-W50 HydrophobicContact CE2-CZ3 4.05Å; F29-I52 HydrophobicContact CD1-CD1 4.37Å; F29-I52 HydrophobicContact CE1-CD1 3.5Å; F29-I52 VanDerWaalsContact CE1-CD1 3.5Å; F29-I52 HydrophobicContact CE1-CG1 4.4Å; F29-I52 HydrophobicContact CZ-CD1 3.93Å | ||
| 30 | V | 73.9 | Confident | 63.7 | Low | 65 Ų | 65 | 104 Ų | 104 | 39% | 0.394 | 53% | 0.529 | S | S | . | . | trans | -115.1 | 133.1 | 173 | -174.4 | 0 | 0 | 0 | 0 | 106.7 | Q14 D32 | Q14-V30 PolarHBondContact NE2-O 2.6Å; Q14-V30 PolarHBondContact OE1-O 2.85Å; V30-D32 HydrophobicContact CG1-CB 4.15Å; V30-D32 WeakPolarHBondContact CG1-OD2 3.28Å; V30-D32 PolarHBondContact O-N 3.18Å | ||
| 31 | A | 72.2 | Confident | 62 | Low | 13 Ų | 13 | 103.5 Ų | 103.5 | 11% | 0.107 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -72.7 | 52.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F29 F45 V46 W50 V70 | F29-A31 HydrophobicContact CE2-CB 4.44Å; A31-F45 HydrophobicContact CB-CE2 4.36Å; A31-F45 WeakPolarHBondContact O-CA 3.28Å; A31-V46 PolarHBondContact O-N 2.79Å; A31-W50 VanDerWaalsContact CA-CZ2 3.42Å; A31-W50 HydrophobicContact CB-CZ2 3.76Å; A31-V70 HydrophobicContact CB-CG1 3.84Å; A31-V70 HydrophobicContact CB-CG2 4.29Å |
| 32 | D | 72.3 | Confident | 60.9 | Low | 21 Ų | 21 | 99.6 Ų | 99.6 | 11% | 0.112 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.4 | 178.5 | 69.3 | 43.6 | 0 | 0 | 0 | 111.7 | Q14 V30 R43 I44 | Q14-D32 PolarHBondContact NE2-O 3.46Å; V30-D32 HydrophobicContact CG1-CB 4.15Å; V30-D32 WeakPolarHBondContact CG1-OD2 3.28Å; V30-D32 PolarHBondContact O-N 3.18Å; D32-R43 HydrophobicContact CB-CB 4.09Å; D32-R43 VanDerWaalsContact CG-CD 3.41Å; D32-R43 VanDerWaalsContact CG-NH1 3.35Å; D32-R43 IonicContact OD1-CZ 2.75Å; D32-R43 IonicContact OD1-NH1 3.66Å; D32-R43 PolarHBondContact OD1-NH1 3.45Å; D32-R43 VanDerWaalsContact OD1-NH1 3.08Å; D32-R43 WeakPolarHBondContact OD2-CD 3.41Å; D32-R43 IonicContact OD2-CZ 3.71Å; D32-R43 IonicContact OD2-NE 3.35Å; D32-R43 IonicContact OD2-NH1 3.12Å; D32-R43 PolarHBondContact OD2-NH1 3.16Å; D32-I44 CarbonylContact C-O 3.43Å; D32-I44 VanDerWaalsContact CA-O 3.3Å; D32-I44 WeakPolarHBondContact CA-O 3.48Å |
| 33 | E | 64.5 | Low | 60.2 | Low | 20 Ų | 20 | 98 Ų | 98 | 9% | 0.093 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.8 | 173.3 | -75 | -171.5 | -163.2 | 0 | 0 | 110.4 | S8 T10 R12 I44 V46 | S8-E33 VanDerWaalsContact CB-OE1 3.3Å; S8-E33 WeakPolarHBondContact CB-OE1 3.38Å; S8-E33 PolarHBondContact OG-OE1 2.89Å; T10-E33 WeakPolarHBondContact CG2-OE1 3.23Å; T10-E33 PolarHBondContact OG1-OE1 3.15Å; T10-E33 PolarHBondContact OG1-OE2 3.36Å; R12-E33 HydrophobicContact CB-CG 4.41Å; R12-E33 VanDerWaalsContact CD-OE2 3.27Å; R12-E33 WeakPolarHBondContact CD-OE2 3.42Å; R12-E33 IonicContact CZ-OE2 3.26Å; R12-E33 VanDerWaalsContact CZ-OE2 3.32Å; R12-E33 IonicContact NE-OE2 3.53Å; R12-E33 IonicContact NH1-OE2 3.58Å; R12-E33 PolarHBondContact NH1-OE2 2.92Å; E33-I44 PolarHBondContact N-O 3.28Å; E33-I44 PolarHBondContact O-N 2.93Å; E33-V46 HydrophobicContact CB-CG2 4.14Å; E33-V46 HydrophobicContact CG-CG2 3.72Å |
| 34 | A | 54.3 | Low | 60 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 121.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R36 | A34-R36 PolarHBondContact O-N 3.16Š|
| 35 | A | 49.9 | Very low | 60 | Low | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 127.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 36 | R | 40.8 | Very low | 59.8 | Low | 236 Ų | 236 | 95.9 Ų | 95.9 | 89% | 0.891 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -73.5 | 141.1 | 164.5 | -74.4 | -172.7 | 174.4 | -167.3 | -1.3 | 107.9 | A34 | A34-R36 PolarHBondContact O-N 3.16Š|
| 37 | I | 39.6 | Very low | 59.4 | Low | 153 Ų | 153 | 91.2 Ų | 91.2 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 82.6 | 130.6 | -170.2 | -46.5 | 162.5 | 0 | 0 | 0 | 112 | ||
| 38 | V | 38.6 | Very low | 59.1 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 53% | 0.527 | 46% | 0.464 | S | S | . | . | trans | 71.8 | 107.6 | -174.1 | -164.5 | 0 | 0 | 0 | 0 | 115.8 | Y40 L41 | V38-Y40 VanDerWaalsContact C-N 3.26Å; V38-Y40 PolarHBondContact O-N 3.29Å; V38-L41 HydrophobicContact CB-CD1 4.27Å; V38-L41 HydrophobicContact CG1-CG 4.42Å | ||
| 39 | P | 43.3 | Very low | 59.3 | Low | 124 Ų | 124 | 88 Ų | 88 | 81% | 0.805 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.7 | 179.5 | -21.6 | 34.4 | 0 | 0 | 0 | 117.3 | ||
| 40 | Y | 43.6 | Very low | 59.7 | Low | 216 Ų | 216 | 84.8 Ų | 84.8 | 85% | 0.847 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 15.8 | -167.1 | -70.6 | -73.8 | 0 | 0 | 0 | 114.7 | V38 | V38-Y40 VanDerWaalsContact C-N 3.26Å; V38-Y40 PolarHBondContact O-N 3.29Å |
| 41 | L | 43.4 | Very low | 60.2 | Low | 114 Ų | 114 | 86 Ų | 86 | 60% | 0.597 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -92.8 | 140.5 | 173.4 | -74.6 | 169.3 | 0 | 0 | 0 | 111.4 | V38 | V38-L41 HydrophobicContact CB-CD1 4.27Å; V38-L41 HydrophobicContact CG1-CG 4.42Å |
| 42 | P | 45.7 | Very low | 60.9 | Low | 111 Ų | 111 | 86.1 Ų | 86.1 | 72% | 0.721 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 143.4 | 177.6 | 28.6 | -34.7 | 0 | 0 | 0 | 111.1 | ||
| 43 | R | 55.6 | Low | 61.5 | Low | 170 Ų | 170 | 86.2 Ų | 86.2 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 136.2 | 177.9 | -59.9 | -165.5 | -178 | -165.4 | -1.2 | 111 | D32 | D32-R43 HydrophobicContact CB-CB 4.09Å; D32-R43 VanDerWaalsContact CG-CD 3.41Å; D32-R43 VanDerWaalsContact CG-NH1 3.35Å; D32-R43 IonicContact OD1-CZ 2.75Å; D32-R43 IonicContact OD1-NH1 3.66Å; D32-R43 PolarHBondContact OD1-NH1 3.45Å; D32-R43 VanDerWaalsContact OD1-NH1 3.08Å; D32-R43 WeakPolarHBondContact OD2-CD 3.41Å; D32-R43 IonicContact OD2-CZ 3.71Å; D32-R43 IonicContact OD2-NE 3.35Å; D32-R43 IonicContact OD2-NH1 3.12Å; D32-R43 PolarHBondContact OD2-NH1 3.16Å |
| 44 | I | 64.2 | Low | 62.8 | Low | 108 Ų | 108 | 87 Ų | 87 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.9 | -178 | -56.4 | 178.4 | 0 | 0 | 0 | 109 | D32 E33 | D32-I44 CarbonylContact C-O 3.43Å; D32-I44 VanDerWaalsContact CA-O 3.3Å; D32-I44 WeakPolarHBondContact CA-O 3.48Å; E33-I44 PolarHBondContact N-O 3.28Å; E33-I44 PolarHBondContact O-N 2.93Å |
| 45 | F | 70.8 | Confident | 64.1 | Low | 57 Ų | 57 | 84.7 Ų | 84.7 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132 | 170.5 | 171.9 | -102 | 0 | 0 | 0 | 110.6 | A31 A47 V70 N72 | A31-F45 HydrophobicContact CB-CE2 4.36Å; A31-F45 WeakPolarHBondContact O-CA 3.28Å; F45-A47 HydrophobicContact CE1-CB 3.91Å; F45-A47 HydrophobicContact CZ-CB 4.47Å; F45-V70 HydrophobicContact CE2-CG1 3.64Å; F45-V70 HydrophobicContact CZ-CG1 3.6Å; F45-N72 HydrophobicContact CD1-CB 4.47Å; F45-N72 HydrophobicContact CE1-CB 3.54Å; F45-N72 HydrophobicContact CZ-CB 3.73Å |
| 46 | V | 73.8 | Confident | 65.7 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | trans | -119.5 | 104.4 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | P9 T10 A31 E33 W50 | P9-V46 HydrophobicContact CB-CG1 4.42Å; P9-V46 HydrophobicContact CG-CG1 4.11Å; T10-V46 HydrophobicContact CG2-CG1 4.34Å; A31-V46 PolarHBondContact O-N 2.79Å; E33-V46 HydrophobicContact CB-CG2 4.14Å; E33-V46 HydrophobicContact CG-CG2 3.72Å; V46-W50 HydrophobicContact CB-CZ2 4.15Å; V46-W50 PolarHBondContact O-NE1 2.81Å | ||
| 47 | A | 69.6 | Low | 67.7 | Low | 28 Ų | 28 | 81.9 Ų | 81.9 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | trans | -75.7 | 155.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F45 V70 | F45-A47 HydrophobicContact CE1-CB 3.91Å; F45-A47 HydrophobicContact CZ-CB 4.47Å; A47-V70 WeakPolarHBondContact CA-O 3.34Å; A47-V70 WeakPolarHBondContact CB-O 3.32Å | ||
| 48 | G | 73.3 | Confident | 69.7 | Low | 13 Ų | 13 | 81 Ų | 81 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.1 | -161.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V70 | G48-V70 PolarHBondContact N-O 2.81Å; G48-V70 PolarHBondContact O-N 3.13Å |
| 49 | E | 80 | Confident | 71.6 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.2 | -178.5 | -167.6 | -175.5 | 153 | 0 | 0 | 111.9 | P9 S67 C68 L69 | P9-E49 WeakPolarHBondContact CG-O 3.36Å; E49-S67 WeakPolarHBondContact OE1-CB 3.44Å; E49-S67 PolarHBondContact OE1-OG 2.97Å; E49-C68 CarbonylContact C-O 3.55Å; E49-C68 WeakPolarHBondContact CA-O 3.43Å; E49-L69 HydrophobicContact CB-CD2 3.89Å; E49-L69 HydrophobicContact CG-CD2 4.22Å |
| 50 | W | 83.6 | Confident | 73.5 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.8 | 174.5 | -76.5 | 72.7 | 0 | 0 | 0 | 110.6 | A6 V7 F29 A31 V46 S67 C68 V70 | A6-W50 HydrophobicContact CB-CE3 4.02Å; A6-W50 HydrophobicContact CB-CZ3 4.2Å; V7-W50 WeakPolarHBondContact O-CA 3.32Å; F29-W50 HydrophobicContact CD2-CE3 4.32Å; F29-W50 HydrophobicContact CD2-CZ3 4.28Å; F29-W50 HydrophobicContact CE2-CD2 4.03Å; F29-W50 AromaticContact CE2-CE3 3.69Å; F29-W50 HydrophobicContact CE2-CE3 3.69Å; F29-W50 HydrophobicContact CE2-CZ3 4.05Å; A31-W50 VanDerWaalsContact CA-CZ2 3.42Å; A31-W50 HydrophobicContact CB-CZ2 3.76Å; V46-W50 HydrophobicContact CB-CZ2 4.15Å; V46-W50 PolarHBondContact O-NE1 2.81Å; W50-S67 CarbonylContact O-C 3.54Å; W50-S67 WeakPolarHBondContact O-CA 3.45Å; W50-C68 PolarHBondContact N-O 3.42Å; W50-C68 PolarHBondContact O-N 2.87Å; W50-C68 PolarHBondContact O-SG 2.77Å; W50-V70 HydrophobicContact CG-CG2 4.24Å |
| 51 | R | 85 | Confident | 75.6 | Confident | 89 Ų | 89 | 76 Ų | 76 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.5 | 176.3 | -89.8 | 176.7 | -88 | 125.3 | -5.8 | 110.5 | V7 E11 F66 | V7-R51 HydrophobicContact CB-CB 4.25Å; V7-R51 PolarHBondContact N-O 2.96Å; V7-R51 PolarHBondContact O-N 3.01Å; E11-R51 VanDerWaalsContact CD-NH2 3.3Å; E11-R51 IonicContact OE1-CZ 3.52Å; E11-R51 IonicContact OE1-NH1 2.87Å; E11-R51 IonicContact OE1-NH2 2.75Å; E11-R51 PolarHBondContact OE1-NH2 3.27Å; E11-R51 IonicContact OE2-CZ 3.74Å; E11-R51 IonicContact OE2-NH1 3.62Å; E11-R51 PolarHBondContact OE2-NH1 2.82Å; E11-R51 IonicContact OE2-NH2 3.93Å; E11-R51 PolarHBondContact OE2-NH2 2.93Å; R51-F66 CarbonylContact C-O 3.19Å; R51-F66 WeakPolarHBondContact CA-O 3.35Å |
| 52 | I | 87.8 | Confident | 77.2 | Confident | 17 Ų | 17 | 80.2 Ų | 80.2 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 108.4 | -179.6 | -54.9 | -178.9 | 0 | 0 | 0 | 109.8 | V4 I5 F29 I54 P65 F66 | V4-I52 HydrophobicContact CG1-CG2 4.02Å; I5-I52 CarbonylContact O-C 3.42Å; I5-I52 WeakPolarHBondContact O-CA 3.36Å; F29-I52 HydrophobicContact CD1-CD1 4.37Å; F29-I52 HydrophobicContact CE1-CD1 3.5Å; F29-I52 VanDerWaalsContact CE1-CD1 3.5Å; F29-I52 HydrophobicContact CE1-CG1 4.4Å; F29-I52 HydrophobicContact CZ-CD1 3.93Å; I52-I54 HydrophobicContact CG2-CG1 4.27Å; I52-P65 VanDerWaalsContact O-CA 3.25Å; I52-P65 WeakPolarHBondContact O-CA 3.15Å; I52-F66 HydrophobicContact CB-CD2 4.39Å; I52-F66 HydrophobicContact CB-CE1 4.07Å; I52-F66 HydrophobicContact CB-CE2 3.95Å; I52-F66 HydrophobicContact CB-CZ 3.77Å; I52-F66 HydrophobicContact CD1-CE2 3.87Å; I52-F66 HydrophobicContact CD1-CZ 4.12Å; I52-F66 HydrophobicContact CG1-CE2 4.3Å; I52-F66 HydrophobicContact CG1-CZ 4.48Å; I52-F66 HydrophobicContact CG2-CE1 4.06Å; I52-F66 HydrophobicContact CG2-CE2 4.45Å; I52-F66 HydrophobicContact CG2-CZ 3.81Å; I52-F66 PolarHBondContact N-O 3.16Å; I52-F66 PolarHBondContact O-N 2.83Å; I52-F66 VanDerWaalsContact O-N 3.1Å |
| 53 | S | 85.2 | Confident | 78.6 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.4 | 173.4 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | V4 I5 | V4-S53 WeakPolarHBondContact CA-O 3.28Å; I5-S53 PolarHBondContact N-O 3.07Å; I5-S53 PolarHBondContact O-N 2.92Å |
| 54 | I | 89.9 | Confident | 80 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125 | 166 | -56 | 178.1 | 0 | 0 | 0 | 108.6 | I2 V4 I52 I61 S64 F66 | I2-I54 HydrophobicContact CG2-CG2 4.08Å; V4-I54 HydrophobicContact CG1-CG1 3.96Å; V4-I54 HydrophobicContact CG2-CB 4.34Å; V4-I54 HydrophobicContact CG2-CG1 3.96Å; V4-I54 HydrophobicContact CG2-CG2 4.08Å; I52-I54 HydrophobicContact CG2-CG1 4.27Å; I54-I61 HydrophobicContact CB-CD1 3.88Å; I54-I61 HydrophobicContact CB-CG1 3.94Å; I54-I61 HydrophobicContact CD1-CD1 4.22Å; I54-I61 HydrophobicContact CG2-CD1 3.58Å; I54-I61 HydrophobicContact CG2-CG1 3.91Å; I54-I61 HydrophobicContact CG2-CG2 4.33Å; I54-I61 PolarHBondContact O-N 3.34Å; I54-S64 PolarHBondContact N-OG 3.06Å; I54-S64 VanDerWaalsContact O-CB 3.23Å; I54-S64 WeakPolarHBondContact O-CB 3.49Å; I54-S64 PolarHBondContact O-OG 3.09Å; I54-F66 HydrophobicContact CD1-CE1 3.98Å; I54-F66 HydrophobicContact CG1-CE1 4.39Å |
| 55 | T | 83.3 | Confident | 80.7 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.2 | 174.8 | 64 | 0 | 0 | 0 | 0 | 111.6 | I2 D3 E59 | I2-T55 VanDerWaalsContact CA-O 3.24Å; I2-T55 WeakPolarHBondContact CA-O 3.26Å; I2-T55 WeakPolarHBondContact CG2-O 3.19Å; D3-T55 PolarHBondContact N-O 2.82Å; D3-T55 VanDerWaalsContact N-O 3.11Å; D3-T55 PolarHBondContact O-N 3.42Å; T55-E59 CarbonylContact C-O 3.52Å; T55-E59 WeakPolarHBondContact CA-O 3.39Å; T55-E59 VanDerWaalsContact CB-O 3.26Å; T55-E59 WeakPolarHBondContact CB-O 3.44Å |
| 56 | Y | 83.4 | Confident | 81.3 | Confident | 112 Ų | 112 | 70.3 Ų | 70.3 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.7 | 171.1 | 174.3 | -92.2 | 0 | 0 | 0 | 108.7 | M1 I2 D58 E59 | M1-Y56 WeakPolarHBondContact O-CA 3.44Å; I2-Y56 HydrophobicContact CD1-CD2 4.4Å; I2-Y56 HydrophobicContact CG1-CD2 3.71Å; Y56-D58 PolarHBondContact O-N 2.91Å; Y56-E59 PolarHBondContact N-O 2.9Å; Y56-E59 PolarHBondContact O-N 3.26Å |
| 57 | Q | 83 | Confident | 81.6 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46.7 | -171.8 | -57.8 | -174.3 | -89.7 | 0 | 0 | 112.3 | M1 E59 | M1-Q57 PolarHBondContact O-N 3.43Å; Q57-E59 PolarHBondContact O-N 3.16Å; Q57-E59 VanDerWaalsContact O-N 3.09Å |
| 58 | D | 80.2 | Confident | 82.1 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 72% | 0.717 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -4.1 | 178.9 | -52.3 | -49.9 | 0 | 0 | 0 | 116.7 | Y56 | Y56-D58 PolarHBondContact O-N 2.91Š|
| 59 | E | 79.1 | Confident | 82.3 | Confident | 154 Ų | 154 | 77.6 Ų | 77.6 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 145.2 | 167.2 | -66.2 | -163.2 | 161.1 | 0 | 0 | 112.4 | T55 Y56 Q57 | T55-E59 CarbonylContact C-O 3.52Å; T55-E59 WeakPolarHBondContact CA-O 3.39Å; T55-E59 VanDerWaalsContact CB-O 3.26Å; T55-E59 WeakPolarHBondContact CB-O 3.44Å; Y56-E59 PolarHBondContact N-O 2.9Å; Y56-E59 PolarHBondContact O-N 3.26Å; Q57-E59 PolarHBondContact O-N 3.16Å; Q57-E59 VanDerWaalsContact O-N 3.09Å |
| 60 | H | 83.7 | Confident | 82.2 | Confident | 96 Ų | 96 | 74.1 Ų | 74.1 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.2 | 176.2 | -78.9 | -102.6 | 0 | 0 | 0 | 111.8 | S64 | H60-S64 PolarHBondContact ND1-O 2.83Å; H60-S64 PolarHBondContact ND1-OG 2.86Å |
| 61 | I | 86.5 | Confident | 82.1 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 161.2 | 170.8 | 68.3 | 167 | 0 | 0 | 0 | 111.2 | I54 G63 S64 | I54-I61 HydrophobicContact CB-CD1 3.88Å; I54-I61 HydrophobicContact CB-CG1 3.94Å; I54-I61 HydrophobicContact CD1-CD1 4.22Å; I54-I61 HydrophobicContact CG2-CD1 3.58Å; I54-I61 HydrophobicContact CG2-CG1 3.91Å; I54-I61 HydrophobicContact CG2-CG2 4.33Å; I54-I61 PolarHBondContact O-N 3.34Å; I61-G63 PolarHBondContact O-N 2.78Å; I61-S64 WeakPolarHBondContact O-CB 3.35Å; I61-S64 PolarHBondContact O-N 2.95Å |
| 62 | Q | 77.7 | Confident | 81.7 | Confident | 202 Ų | 202 | 75.7 Ų | 75.7 | 94% | 0.944 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 125.3 | 176.6 | -173.8 | 177.2 | -2.3 | 0 | 0 | 111.2 | ||
| 63 | G | 75.6 | Confident | 81.3 | Confident | 58 Ų | 58 | 76 Ų | 76 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | 3.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I61 P65 F66 | I61-G63 PolarHBondContact O-N 2.78Å; G63-P65 CarbonylContact O-C 3.6Å; G63-F66 WeakPolarHBondContact O-CB 2.74Å |
| 64 | S | 85 | Confident | 81 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | trans | -102 | 138.3 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111 | I54 H60 I61 | I54-S64 PolarHBondContact N-OG 3.06Å; I54-S64 VanDerWaalsContact O-CB 3.23Å; I54-S64 WeakPolarHBondContact O-CB 3.49Å; I54-S64 PolarHBondContact O-OG 3.09Å; H60-S64 PolarHBondContact ND1-O 2.83Å; H60-S64 PolarHBondContact ND1-OG 2.86Å; I61-S64 WeakPolarHBondContact O-CB 3.35Å; I61-S64 PolarHBondContact O-N 2.95Å | ||
| 65 | P | 78.7 | Confident | 80.6 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | S | Bend | cis | -75 | 151.7 | -8.4 | 32.6 | -33.9 | 0 | 0 | 0 | 112.4 | I52 G63 | I52-P65 VanDerWaalsContact O-CA 3.25Å; I52-P65 WeakPolarHBondContact O-CA 3.15Å; G63-P65 CarbonylContact O-C 3.6Å |
| 66 | F | 83.1 | Confident | 80.4 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 153.3 | 171.7 | 60.3 | -87.5 | 0 | 0 | 0 | 111.6 | R51 I52 I54 G63 | R51-F66 CarbonylContact C-O 3.19Å; R51-F66 WeakPolarHBondContact CA-O 3.35Å; I52-F66 HydrophobicContact CB-CD2 4.39Å; I52-F66 HydrophobicContact CB-CE1 4.07Å; I52-F66 HydrophobicContact CB-CE2 3.95Å; I52-F66 HydrophobicContact CB-CZ 3.77Å; I52-F66 HydrophobicContact CD1-CE2 3.87Å; I52-F66 HydrophobicContact CD1-CZ 4.12Å; I52-F66 HydrophobicContact CG1-CE2 4.3Å; I52-F66 HydrophobicContact CG1-CZ 4.48Å; I52-F66 HydrophobicContact CG2-CE1 4.06Å; I52-F66 HydrophobicContact CG2-CE2 4.45Å; I52-F66 HydrophobicContact CG2-CZ 3.81Å; I52-F66 PolarHBondContact N-O 3.16Å; I52-F66 PolarHBondContact O-N 2.83Å; I52-F66 VanDerWaalsContact O-N 3.1Å; I54-F66 HydrophobicContact CD1-CE1 3.98Å; I54-F66 HydrophobicContact CG1-CE1 4.39Å; G63-F66 WeakPolarHBondContact O-CB 2.74Å |
| 67 | S | 81 | Confident | 80.2 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 149.1 | -179.8 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | E49 W50 | E49-S67 WeakPolarHBondContact OE1-CB 3.44Å; E49-S67 PolarHBondContact OE1-OG 2.97Å; W50-S67 CarbonylContact O-C 3.54Å; W50-S67 WeakPolarHBondContact O-CA 3.45Å |
| 68 | C | 79.3 | Confident | 80.1 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 28% | 0.284 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145 | 168.9 | 61.6 | 0 | 0 | 0 | 0 | 111 | E49 W50 | E49-C68 CarbonylContact C-O 3.55Å; E49-C68 WeakPolarHBondContact CA-O 3.43Å; W50-C68 PolarHBondContact N-O 3.42Å; W50-C68 PolarHBondContact O-N 2.87Å; W50-C68 PolarHBondContact O-SG 2.77Å |
| 69 | L | 78 | Confident | 79.9 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.6 | -179.7 | -67.6 | 173 | 0 | 0 | 0 | 110.8 | E49 P101 | E49-L69 HydrophobicContact CB-CD2 3.89Å; E49-L69 HydrophobicContact CG-CD2 4.22Å; L69-P101 HydrophobicContact CB-CG 4.5Å; L69-P101 HydrophobicContact CD2-CG 4.06Å |
| 70 | V | 78 | Confident | 79.6 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.5 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | A31 F45 A47 G48 W50 | A31-V70 HydrophobicContact CB-CG1 3.84Å; A31-V70 HydrophobicContact CB-CG2 4.29Å; F45-V70 HydrophobicContact CE2-CG1 3.64Å; F45-V70 HydrophobicContact CZ-CG1 3.6Å; A47-V70 WeakPolarHBondContact CA-O 3.34Å; A47-V70 WeakPolarHBondContact CB-O 3.32Å; G48-V70 PolarHBondContact N-O 2.81Å; G48-V70 PolarHBondContact O-N 3.13Å; W50-V70 HydrophobicContact CG-CG2 4.24Å |
| 71 | Y | 79.7 | Confident | 78.9 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | trans | -141.4 | 167.5 | 179.9 | 65.1 | -89.4 | 0 | 0 | 0 | 111.2 | P73 A99 L152 N153 | Y71-P73 HydrophobicContact CD2-CG 4.4Å; Y71-P73 HydrophobicContact CE2-CG 4.34Å; Y71-A99 CarbonylContact C-O 3.55Å; Y71-A99 WeakPolarHBondContact CA-O 3.5Å; Y71-A99 VanDerWaalsContact CB-O 3.32Å; Y71-A99 WeakPolarHBondContact CB-O 3.39Å; Y71-L152 HydrophobicContact CD2-CD2 4.07Å; Y71-N153 HydrophobicContact CE2-CB 4.01Å; Y71-N153 VanDerWaalsContact CE2-ND2 3.32Å; Y71-N153 WeakPolarHBondContact CE2-ND2 3.41Å | ||
| 72 | N | 78.3 | Confident | 78.1 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | trans | -149.2 | 99.7 | -173.6 | -173.5 | -24.2 | 0 | 0 | 0 | 112.4 | F45 S74 R75 A99 | F45-N72 HydrophobicContact CD1-CB 4.47Å; F45-N72 HydrophobicContact CE1-CB 3.54Å; F45-N72 HydrophobicContact CZ-CB 3.73Å; N72-S74 PolarHBondContact O-N 3.29Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 2.62Å; N72-S74 PolarHBondContact OD1-OG 2.83Å; N72-R75 PolarHBondContact O-N 2.75Å; N72-R75 VanDerWaalsContact O-N 3.16Å; N72-A99 PolarHBondContact N-O 3.25Å; N72-A99 VanDerWaalsContact O-CB 3.3Å; N72-A99 WeakPolarHBondContact O-CB 3.32Å | ||
| 73 | P | 78.6 | Confident | 77.7 | Confident | 22 Ų | 22 | 53 Ų | 53 | 14% | 0.143 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -57.5 | -26.6 | 179.4 | -25.2 | 34.5 | 0 | 0 | 0 | 114.9 | Y71 R75 V76 L152 H155 | Y71-P73 HydrophobicContact CD2-CG 4.4Å; Y71-P73 HydrophobicContact CE2-CG 4.34Å; P73-R75 PolarHBondContact O-N 2.93Å; P73-V76 PolarHBondContact O-N 2.8Å; P73-V76 VanDerWaalsContact O-N 3.17Å; P73-L152 HydrophobicContact CB-CB 4.23Å; P73-L152 HydrophobicContact CB-CD2 4.35Å; P73-L152 HydrophobicContact CG-CB 4.38Å; P73-L152 HydrophobicContact CG-CD2 4.19Å; P73-H155 HydrophobicContact CB-CB 4.32Å; P73-H155 HydrophobicContact CG-CB 3.79Å |
| 74 | S | 79.2 | Confident | 77.5 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -68.3 | -10.6 | 179.6 | -43.5 | 0 | 0 | 0 | 0 | 114.3 | N72 F882 G883 | N72-S74 PolarHBondContact O-N 3.29Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 2.62Å; N72-S74 PolarHBondContact OD1-OG 2.83Å; S74-F882 VanDerWaalsContact CB-O 3.22Å; S74-F882 WeakPolarHBondContact CB-O 3.05Å; S74-F882 PolarHBondContact OG-O 2.84Å; S74-G883 PolarHBondContact OG-N 3.08Å |
| 75 | R | 81.1 | Confident | 76.8 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -97.8 | -2.9 | 175.5 | -74.9 | -172.1 | 174.3 | -114.7 | 9 | 114 | N72 P73 E98 A99 | N72-R75 PolarHBondContact O-N 2.75Å; N72-R75 VanDerWaalsContact O-N 3.16Å; P73-R75 PolarHBondContact O-N 2.93Å; R75-E98 HydrophobicContact CB-CB 4.03Å; R75-E98 WeakPolarHBondContact CD-O 3.42Å; R75-E98 IonicContact CZ-OE2 3.18Å; R75-E98 IonicContact NH1-OE2 2.73Å; R75-E98 PolarHBondContact NH1-OE2 2.86Å; R75-A99 HydrophobicContact CB-CB 4.33Å |
| 76 | V | 78.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | trans | -71.7 | 129.9 | 169.1 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | P73 I94 D95 A96 A99 L152 V157 | P73-V76 PolarHBondContact O-N 2.8Å; P73-V76 VanDerWaalsContact O-N 3.17Å; V76-I94 HydrophobicContact CG1-CG2 3.59Å; V76-D95 CarbonylContact C-O 3.53Å; V76-D95 WeakPolarHBondContact CA-O 3.24Å; V76-A96 HydrophobicContact CB-CB 4.47Å; V76-A96 HydrophobicContact CG1-CB 4.14Å; V76-A96 HydrophobicContact CG2-CB 3.79Å; V76-A99 HydrophobicContact CG2-CB 3.58Å; V76-L152 HydrophobicContact CG2-CB 4.21Å; V76-L152 HydrophobicContact CG2-CD2 3.99Å; V76-L152 HydrophobicContact CG2-CG 4.5Å; V76-V157 HydrophobicContact CB-CB 4.11Å; V76-V157 HydrophobicContact CB-CG1 3.69Å; V76-V157 HydrophobicContact CG1-CB 4.4Å; V76-V157 HydrophobicContact CG1-CG1 3.86Å; V76-V157 HydrophobicContact CG2-CG1 3.92Å | ||
| 77 | K | 79.6 | Confident | 75.9 | Confident | 106 Ų | 106 | 47.1 Ų | 47.1 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.4 | 176.6 | -59.2 | 167.4 | -167.3 | 163.5 | 0 | 108.7 | I94 D95 E98 | K77-I94 CarbonylContact O-C 3.5Å; K77-I94 WeakPolarHBondContact O-CA 3.44Å; K77-D95 PolarHBondContact N-O 2.85Å; K77-D95 PolarHBondContact O-N 3.31Å; K77-E98 WeakPolarHBondContact CE-OE1 3.33Å; K77-E98 IonicContact NZ-OE1 3.94Å; K77-E98 PolarHBondContact NZ-OE1 3.23Å |
| 78 | V | 80.1 | Confident | 75.2 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.8 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | F92 V93 I94 V157 F162 | V78-F92 HydrophobicContact CG1-CD1 4.15Å; V78-V93 CarbonylContact C-O 3.49Å; V78-V93 WeakPolarHBondContact CA-O 3.23Å; V78-I94 HydrophobicContact CG1-CG1 4.09Å; V78-I94 HydrophobicContact CG2-CB 4.47Å; V78-I94 HydrophobicContact CG2-CG1 4.1Å; V78-I94 HydrophobicContact CG2-CG2 4.04Å; V78-V157 HydrophobicContact CG2-CG2 4.32Å; V78-F162 HydrophobicContact CB-CD2 4.32Å; V78-F162 HydrophobicContact CB-CE1 3.9Å; V78-F162 HydrophobicContact CB-CE2 3.71Å; V78-F162 HydrophobicContact CB-CZ 3.48Å; V78-F162 VanDerWaalsContact CB-CZ 3.48Å; V78-F162 HydrophobicContact CG1-CD2 4.14Å; V78-F162 HydrophobicContact CG1-CE1 4.47Å; V78-F162 HydrophobicContact CG1-CE2 4.01Å; V78-F162 HydrophobicContact CG1-CG 4.47Å; V78-F162 HydrophobicContact CG1-CZ 4.18Å; V78-F162 HydrophobicContact CG2-CD2 4.5Å; V78-F162 HydrophobicContact CG2-CE2 3.59Å; V78-F162 HydrophobicContact CG2-CZ 3.61Å |
| 79 | S | 76.5 | Confident | 75.1 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.2 | 177.4 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | F92 V93 | S79-F92 CarbonylContact O-C 3.52Å; S79-F92 WeakPolarHBondContact O-CA 3.26Å; S79-V93 PolarHBondContact N-O 3.29Å; S79-V93 PolarHBondContact O-N 3.02Å |
| 80 | G | 73.6 | Confident | 75 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | trans | -167.9 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R91 | G80-R91 WeakPolarHBondContact CA-O 3.44Š| ||
| 81 | P | 68.9 | Low | 75.2 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | trans | -74.1 | 149.4 | 179.8 | 32.5 | -35.2 | 0 | 0 | 0 | 111.5 | V90 R91 M164 | P81-V90 HydrophobicContact CG-CG1 4.15Å; P81-R91 WeakPolarHBondContact CD-O 3.38Å; P81-M164 HydrophobicContact CG-SD 4.2Å; P81-M164 WeakPolarHBondContact O-CG 3.38Å | ||
| 82 | E | 69.4 | Low | 75.1 | Confident | 71 Ų | 71 | 43.8 Ų | 43.8 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -89 | -22 | 176.7 | -66.7 | -177.5 | -138.5 | 0 | 0 | 112.8 | M164 E165 D875 | E82-M164 VanDerWaalsContact C-CG 3.5Å; E82-M164 CarbonylContact O-C 3.52Å; E82-M164 VanDerWaalsContact O-CA 3.23Å; E82-M164 WeakPolarHBondContact O-CA 3.41Å; E82-M164 VanDerWaalsContact O-CG 3.24Å; E82-M164 WeakPolarHBondContact O-CG 3.32Å; E82-E165 PolarHBondContact O-N 2.83Å; E82-D875 PolarHBondContact OE1-N 3.09Å; E82-D875 VanDerWaalsContact OE1-N 3.09Å; E82-D875 VanDerWaalsContact OE2-CA 3.24Å; E82-D875 WeakPolarHBondContact OE2-CA 3.36Å; E82-D875 VanDerWaalsContact OE2-CB 3.23Å; E82-D875 WeakPolarHBondContact OE2-CB 3.31Å; E82-D875 PolarHBondContact OE2-N 3.32Å |
| 83 | S | 68.8 | Low | 75.4 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 161.8 | 165.6 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | E165 G196 H246 Y873 | S83-E165 CarbonylContact C-O 3.52Å; S83-E165 WeakPolarHBondContact CA-O 3.42Å; S83-E165 WeakPolarHBondContact CB-O 3.32Å; S83-G196 WeakPolarHBondContact CB-O 3.32Å; S83-G196 PolarHBondContact OG-O 3.34Å; S83-H246 PolarHBondContact O-CE1 2.91Å; S83-Y873 WeakPolarHBondContact OG-CD2 3.46Å |
| 84 | A | 71.3 | Confident | 75.6 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 M164 E165 V166 V167 H246 | A84-V90 HydrophobicContact CB-CG2 3.7Å; A84-M164 HydrophobicContact CB-CE 4.1Å; A84-M164 HydrophobicContact CB-SD 3.98Å; A84-E165 PolarHBondContact N-O 2.86Å; A84-V166 HydrophobicContact CB-CB 4.45Å; A84-V166 CarbonylContact O-C 3.6Å; A84-V166 WeakPolarHBondContact O-CA 3.47Å; A84-V166 WeakPolarHBondContact O-CB 3.47Å; A84-V167 PolarHBondContact O-N 3.12Å; A84-H246 WeakPolarHBondContact CA-CE1 3.37Å |
| 85 | V | 70 | Confident | 75.7 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 140.3 | 169.8 | 139.7 | 0 | 0 | 0 | 0 | 112.5 | G87 G88 V167 A169 V245 H246 | V85-G87 PolarHBondContact O-N 3.02Å; V85-G88 PolarHBondContact O-N 2.82Å; V85-V167 CarbonylContact C-O 3.52Å; V85-V167 WeakPolarHBondContact CA-O 3.33Å; V85-V167 HydrophobicContact CG2-CG2 4.1Å; V85-A169 HydrophobicContact CG2-CB 4.21Å; V85-V245 HydrophobicContact CG2-CG1 3.98Å; V85-H246 HydrophobicContact CB-CB 4.15Å; V85-H246 HydrophobicContact CG2-CB 4.33Å; V85-H246 WeakPolarHBondContact CG2-CD2 3.33Å; V85-H246 PolarHBondContact N-NE2 2.8Å |
| 86 | L | 73.5 | Confident | 75.6 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | 120.2 | 171.6 | -174.3 | 70.7 | 0 | 0 | 0 | 111.9 | S142 V166 V167 | L86-S142 VanDerWaalsContact CD1-C 3.47Å; L86-S142 VanDerWaalsContact CD1-N 3.28Å; L86-V166 HydrophobicContact CB-CG1 4.44Å; L86-V167 PolarHBondContact N-O 3.08Å |
| 87 | G | 69.5 | Low | 75.5 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | V85 V139 P140 | V85-G87 PolarHBondContact O-N 3.02Å; G87-V139 WeakPolarHBondContact O-CG1 3.41Å; G87-P140 PolarHBondContact N-O 3.46Å |
| 88 | G | 66.8 | Low | 75.3 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -79.5 | 151.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V85 V90 P140 | V85-G88 PolarHBondContact O-N 2.82Å; G88-V90 PolarHBondContact O-N 2.75Å; G88-P140 WeakPolarHBondContact O-CD 3.19Å |
| 89 | E | 77.3 | Confident | 74.9 | Confident | 97 Ų | 97 | 39.5 Ų | 39.5 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 117.8 | 173 | -171.1 | -171.6 | -124.5 | 0 | 0 | 111 | R91 R137 V139 | E89-R91 HydrophobicContact CG-CG 4.49Å; E89-R91 IonicContact OE2-CZ 2.64Å; E89-R91 IonicContact OE2-NE 3.58Å; E89-R91 PolarHBondContact OE2-NE 3.21Å; E89-R91 IonicContact OE2-NH2 3.41Å; E89-R91 PolarHBondContact OE2-NH2 3.29Å; E89-R137 HydrophobicContact CG-CB 4.44Å; E89-V139 HydrophobicContact CB-CG2 4.27Å; E89-V139 HydrophobicContact CG-CG2 4.4Å |
| 90 | V | 75.8 | Confident | 74.5 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.1 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | P81 A84 G88 F92 R137 F138 P140 M164 | P81-V90 HydrophobicContact CG-CG1 4.15Å; A84-V90 HydrophobicContact CB-CG2 3.7Å; G88-V90 PolarHBondContact O-N 2.75Å; V90-F92 HydrophobicContact CG1-CD2 4.04Å; V90-F92 HydrophobicContact CG1-CE2 3.56Å; V90-R137 VanDerWaalsContact O-CA 3.27Å; V90-R137 WeakPolarHBondContact O-CA 3.43Å; V90-F138 HydrophobicContact CB-CD1 4.29Å; V90-F138 HydrophobicContact CB-CD2 4.42Å; V90-F138 HydrophobicContact CB-CE1 3.98Å; V90-F138 HydrophobicContact CB-CE2 4.11Å; V90-F138 HydrophobicContact CB-CG 4.5Å; V90-F138 HydrophobicContact CB-CZ 3.89Å; V90-F138 HydrophobicContact CG1-CD1 4.29Å; V90-F138 HydrophobicContact CG1-CE1 3.6Å; V90-F138 HydrophobicContact CG1-CE2 4.36Å; V90-F138 HydrophobicContact CG1-CZ 3.65Å; V90-F138 HydrophobicContact CG2-CE2 4.2Å; V90-F138 HydrophobicContact CG2-CZ 4.25Å; V90-F138 PolarHBondContact N-O 2.82Å; V90-F138 PolarHBondContact O-N 2.65Å; V90-F138 VanDerWaalsContact O-N 3.16Å; V90-P140 HydrophobicContact CG2-CG 4.16Å; V90-M164 HydrophobicContact CB-SD 4.49Å; V90-M164 HydrophobicContact CG1-CE 4.16Å; V90-M164 HydrophobicContact CG1-SD 3.56Å; V90-M164 VanDerWaalsContact CG1-SD 3.56Å; V90-M164 HydrophobicContact CG2-CE 4.01Å; V90-M164 HydrophobicContact CG2-SD 4.07Å |
| 91 | R | 82.1 | Confident | 74.2 | Confident | 110 Ų | 110 | 37.9 Ų | 37.9 | 42% | 0.415 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.7 | -173.3 | -59.6 | -171.2 | 175.3 | 170.9 | 0.5 | 111.7 | G80 P81 E89 L135 A136 R137 | G80-R91 WeakPolarHBondContact CA-O 3.44Å; P81-R91 WeakPolarHBondContact CD-O 3.38Å; E89-R91 HydrophobicContact CG-CG 4.49Å; E89-R91 IonicContact OE2-CZ 2.64Å; E89-R91 IonicContact OE2-NE 3.58Å; E89-R91 PolarHBondContact OE2-NE 3.21Å; E89-R91 IonicContact OE2-NH2 3.41Å; E89-R91 PolarHBondContact OE2-NH2 3.29Å; R91-L135 HydrophobicContact CB-CD1 4.1Å; R91-A136 WeakPolarHBondContact CA-O 3.26Å; R91-R137 HydrophobicContact CG-CG 4.17Å |
| 92 | F | 78.9 | Confident | 73.8 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.9 | 173.9 | -75.4 | -92.1 | 0 | 0 | 0 | 110.8 | V78 S79 V90 L135 A136 F138 L148 M164 | V78-F92 HydrophobicContact CG1-CD1 4.15Å; S79-F92 CarbonylContact O-C 3.52Å; S79-F92 WeakPolarHBondContact O-CA 3.26Å; V90-F92 HydrophobicContact CG1-CD2 4.04Å; V90-F92 HydrophobicContact CG1-CE2 3.56Å; F92-L135 CarbonylContact O-C 3.56Å; F92-L135 WeakPolarHBondContact O-CA 3.3Å; F92-A136 HydrophobicContact CB-CB 4.42Å; F92-A136 PolarHBondContact N-O 3.23Å; F92-A136 PolarHBondContact O-N 3.07Å; F92-F138 HydrophobicContact CD2-CE1 4.4Å; F92-F138 HydrophobicContact CE2-CE1 4.09Å; F92-L148 HydrophobicContact CB-CD2 3.86Å; F92-L148 HydrophobicContact CD1-CD2 3.65Å; F92-L148 HydrophobicContact CD2-CD2 3.79Å; F92-L148 HydrophobicContact CE1-CD2 4.11Å; F92-L148 HydrophobicContact CE2-CD2 4.23Å; F92-L148 HydrophobicContact CG-CD2 3.48Å; F92-L148 VanDerWaalsContact CG-CD2 3.48Å; F92-L148 HydrophobicContact CZ-CD2 4.39Å; F92-M164 HydrophobicContact CE2-SD 4.48Å; F92-M164 HydrophobicContact CZ-SD 4.48Å |
| 93 | V | 83.1 | Confident | 73.6 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.7 | 173.6 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | V78 S79 I129 Y134 L135 | V78-V93 CarbonylContact C-O 3.49Å; V78-V93 WeakPolarHBondContact CA-O 3.23Å; S79-V93 PolarHBondContact N-O 3.29Å; S79-V93 PolarHBondContact O-N 3.02Å; V93-I129 HydrophobicContact CG1-CD1 4.23Å; V93-Y134 CarbonylContact C-O 3.57Å; V93-Y134 WeakPolarHBondContact CA-O 3.34Å; V93-L135 HydrophobicContact CG2-CD1 4.1Å |
| 94 | I | 83.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 109.9 | -179.1 | -52.8 | 165.4 | 0 | 0 | 0 | 108.6 | V76 K77 V78 V104 V106 R133 Y134 | V76-I94 HydrophobicContact CG1-CG2 3.59Å; K77-I94 CarbonylContact O-C 3.5Å; K77-I94 WeakPolarHBondContact O-CA 3.44Å; V78-I94 HydrophobicContact CG1-CG1 4.09Å; V78-I94 HydrophobicContact CG2-CB 4.47Å; V78-I94 HydrophobicContact CG2-CG1 4.1Å; V78-I94 HydrophobicContact CG2-CG2 4.04Å; I94-V104 HydrophobicContact CG2-CG1 3.9Å; I94-V106 HydrophobicContact CD1-CG2 3.3Å; I94-R133 CarbonylContact O-C 3.57Å; I94-R133 WeakPolarHBondContact O-CA 3.27Å; I94-Y134 PolarHBondContact N-O 2.98Å; I94-Y134 PolarHBondContact O-N 2.78Å |
| 95 | D | 82 | Confident | 72.4 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 106.8 | -177.3 | -172.2 | -2.6 | 0 | 0 | 0 | 111.4 | V76 K77 T97 R133 | V76-D95 CarbonylContact C-O 3.53Å; V76-D95 WeakPolarHBondContact CA-O 3.24Å; K77-D95 PolarHBondContact N-O 2.85Å; K77-D95 PolarHBondContact O-N 3.31Å; D95-T97 VanDerWaalsContact OD1-CB 3.27Å; D95-T97 WeakPolarHBondContact OD1-CB 3.44Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.38Å; D95-T97 PolarHBondContact OD1-N 2.98Å; D95-T97 PolarHBondContact OD1-OG1 3.02Å; D95-R133 HydrophobicContact CB-CG 4.11Å; D95-R133 VanDerWaalsContact CG-NE 3.26Å; D95-R133 WeakPolarHBondContact OD1-CG 3.46Å; D95-R133 IonicContact OD1-NE 3.53Å; D95-R133 PolarHBondContact OD1-NE 2.8Å; D95-R133 IonicContact OD2-CZ 3.59Å; D95-R133 VanDerWaalsContact OD2-CZ 3.22Å; D95-R133 IonicContact OD2-NE 3.72Å; D95-R133 PolarHBondContact OD2-NE 3.32Å; D95-R133 IonicContact OD2-NH2 2.94Å; D95-R133 PolarHBondContact OD2-NH2 2.92Å |
| 96 | A | 77.6 | Confident | 71.4 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | trans | -105.1 | 11.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V76 E98 A99 V104 G132 | V76-A96 HydrophobicContact CB-CB 4.47Å; V76-A96 HydrophobicContact CG1-CB 4.14Å; V76-A96 HydrophobicContact CG2-CB 3.79Å; A96-E98 VanDerWaalsContact C-N 3.26Å; A96-E98 PolarHBondContact O-N 2.96Å; A96-A99 HydrophobicContact CB-CB 4.16Å; A96-A99 WeakPolarHBondContact O-CB 3.44Å; A96-A99 PolarHBondContact O-N 3.38Å; A96-V104 HydrophobicContact CB-CG2 3.54Å; A96-G132 WeakPolarHBondContact CA-O 3.34Å; A96-G132 WeakPolarHBondContact CB-O 3.33Å; A96-G132 PolarHBondContact N-O 3.32Å | ||
| 97 | T | 77.6 | Confident | 69.9 | Low | 72 Ų | 72 | 42.9 Ų | 42.9 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -53.2 | -41.2 | -179.7 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | D95 A99 R131 R133 | D95-T97 VanDerWaalsContact OD1-CB 3.27Å; D95-T97 WeakPolarHBondContact OD1-CB 3.44Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.38Å; D95-T97 PolarHBondContact OD1-N 2.98Å; D95-T97 PolarHBondContact OD1-OG1 3.02Å; T97-A99 VanDerWaalsContact C-N 3.34Å; T97-R131 VanDerWaalsContact CG2-O 3.26Å; T97-R131 WeakPolarHBondContact CG2-O 3.17Å; T97-R133 HydrophobicContact CG2-CG 4.02Å |
| 98 | E | 76.3 | Confident | 68.5 | Low | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -80 | -10.3 | 177 | -72 | -168.4 | -126.3 | 0 | 0 | 114.4 | R75 K77 A96 | R75-E98 HydrophobicContact CB-CB 4.03Å; R75-E98 WeakPolarHBondContact CD-O 3.42Å; R75-E98 IonicContact CZ-OE2 3.18Å; R75-E98 IonicContact NH1-OE2 2.73Å; R75-E98 PolarHBondContact NH1-OE2 2.86Å; K77-E98 WeakPolarHBondContact CE-OE1 3.33Å; K77-E98 IonicContact NZ-OE1 3.94Å; K77-E98 PolarHBondContact NZ-OE1 3.23Å; A96-E98 VanDerWaalsContact C-N 3.26Å; A96-E98 PolarHBondContact O-N 2.96Å |
| 99 | A | 71.2 | Confident | 66.6 | Low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -83.7 | -16.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y71 N72 R75 V76 A96 T97 L152 | Y71-A99 CarbonylContact C-O 3.55Å; Y71-A99 WeakPolarHBondContact CA-O 3.5Å; Y71-A99 VanDerWaalsContact CB-O 3.32Å; Y71-A99 WeakPolarHBondContact CB-O 3.39Å; N72-A99 PolarHBondContact N-O 3.25Å; N72-A99 VanDerWaalsContact O-CB 3.3Å; N72-A99 WeakPolarHBondContact O-CB 3.32Å; R75-A99 HydrophobicContact CB-CB 4.33Å; V76-A99 HydrophobicContact CG2-CB 3.58Å; A96-A99 HydrophobicContact CB-CB 4.16Å; A96-A99 WeakPolarHBondContact O-CB 3.44Å; A96-A99 PolarHBondContact O-N 3.38Å; T97-A99 VanDerWaalsContact C-N 3.34Å; A99-L152 HydrophobicContact CB-CD2 3.74Å |
| 100 | G | 68.2 | Low | 64.4 | Low | 23 Ų | 23 | 46.9 Ų | 46.9 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | trans | 89.3 | -171.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G102 | G100-G102 PolarHBondContact O-N 3.2Š| ||
| 101 | P | 66.2 | Low | 62 | Low | 55 Ų | 55 | 49 Ų | 49 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -69.7 | 117 | -174.5 | 27 | -33.1 | 0 | 0 | 0 | 112 | L69 | L69-P101 HydrophobicContact CB-CG 4.5Å; L69-P101 HydrophobicContact CD2-CG 4.06Å |
| 102 | G | 61 | Low | 59.4 | Low | 32 Ų | 32 | 49.2 Ų | 49.2 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | trans | -172.7 | 164.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G100 N153 | G100-G102 PolarHBondContact O-N 3.2Å; G102-N153 WeakPolarHBondContact CA-ND2 3.18Å; G102-N153 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 103 | V | 64.4 | Low | 56.9 | Low | 87 Ų | 87 | 49.8 Ų | 49.8 | 53% | 0.527 | 32% | 0.315 | S | S | . | . | trans | -91 | 121.9 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | E105 N153 | V103-E105 HydrophobicContact CG1-CG 4.05Å; V103-E105 PolarHBondContact O-N 2.81Å; V103-N153 PolarHBondContact N-OD1 2.87Å; V103-N153 PolarHBondContact O-N 2.91Å | ||
| 104 | V | 58.2 | Low | 54.8 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 116.4 | 165.2 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | I94 A96 M126 Y134 T151 L152 | I94-V104 HydrophobicContact CG2-CG1 3.9Å; A96-V104 HydrophobicContact CB-CG2 3.54Å; V104-M126 HydrophobicContact CB-CE 4.43Å; V104-M126 HydrophobicContact CG1-CE 4.02Å; V104-Y134 HydrophobicContact CB-CD2 3.82Å; V104-Y134 HydrophobicContact CB-CE2 3.6Å; V104-Y134 HydrophobicContact CB-CG 4.49Å; V104-Y134 HydrophobicContact CG1-CD2 4.26Å; V104-Y134 HydrophobicContact CG2-CD2 3.85Å; V104-Y134 HydrophobicContact CG2-CE2 3.44Å; V104-Y134 VanDerWaalsContact CG2-CE2 3.44Å; V104-T151 WeakPolarHBondContact CA-O 3.29Å; V104-L152 HydrophobicContact CG2-CD1 3.67Å |
| 105 | E | 57.2 | Low | 52.9 | Low | 111 Ų | 111 | 50.2 Ų | 50.2 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.9 | 166.9 | -67.2 | -176 | 162.5 | 0 | 0 | 107 | V103 S107 T151 | V103-E105 HydrophobicContact CG1-CG 4.05Å; V103-E105 PolarHBondContact O-N 2.81Å; E105-S107 VanDerWaalsContact C-N 3.32Å; E105-S107 PolarHBondContact O-N 3.49Å; E105-T151 PolarHBondContact N-O 2.87Å; E105-T151 PolarHBondContact O-N 2.64Å; E105-T151 VanDerWaalsContact O-O 3.06Å; E105-T151 PolarHBondContact O-OG1 2.81Å |
| 106 | V | 50.4 | Low | 51.1 | Low | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -65.1 | 104.7 | 159.7 | 174.5 | 0 | 0 | 0 | 0 | 104.8 | I94 F108 M126 L148 S149 | I94-V106 HydrophobicContact CD1-CG2 3.3Å; V106-F108 HydrophobicContact CB-CD2 4.21Å; V106-F108 HydrophobicContact CB-CE2 3.85Å; V106-F108 HydrophobicContact CB-CZ 4.05Å; V106-F108 HydrophobicContact CG1-CD1 3.97Å; V106-F108 HydrophobicContact CG1-CD2 4.05Å; V106-F108 HydrophobicContact CG1-CE1 3.52Å; V106-F108 HydrophobicContact CG1-CE2 3.61Å; V106-F108 HydrophobicContact CG1-CG 4.22Å; V106-F108 HydrophobicContact CG1-CZ 3.3Å; V106-F108 VanDerWaalsContact O-CD2 3.25Å; V106-F108 WeakPolarHBondContact O-CD2 3.34Å; V106-F108 WeakPolarHBondContact O-CG 3.47Å; V106-F108 PolarHBondContact O-N 2.62Å; V106-M126 HydrophobicContact CB-SD 3.84Å; V106-M126 HydrophobicContact CG2-CE 3.79Å; V106-M126 HydrophobicContact CG2-CG 4.47Å; V106-M126 HydrophobicContact CG2-SD 3.5Å; V106-M126 WeakPolarHBondContact CG2-SD 3.33Å; V106-L148 HydrophobicContact CG1-CD1 3.95Å; V106-S149 CarbonylContact C-O 3.47Å; V106-S149 VanDerWaalsContact CG1-O 3.26Å; V106-S149 WeakPolarHBondContact CG1-O 3.24Å | ||
| 107 | S | 41.8 | Very low | 49.5 | Very low | 40 Ų | 40 | 52.3 Ų | 52.3 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | trans | -78.8 | 81.5 | -165.2 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | E105 V109 S149 T151 | E105-S107 VanDerWaalsContact C-N 3.32Å; E105-S107 PolarHBondContact O-N 3.49Å; S107-V109 PolarHBondContact O-N 3.16Å; S107-S149 PolarHBondContact N-O 2.86Å; S107-S149 VanDerWaalsContact N-O 3.1Å; S107-T151 VanDerWaalsContact CB-CG2 3.5Å | ||
| 108 | F | 38.6 | Very low | 48.1 | Very low | 34 Ų | 34 | 54.8 Ų | 54.8 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | trans | -71.7 | 29 | 177.4 | -82.2 | -38.4 | 0 | 0 | 0 | 113 | V106 G111 P112 V113 V115 T124 | V106-F108 HydrophobicContact CB-CD2 4.21Å; V106-F108 HydrophobicContact CB-CE2 3.85Å; V106-F108 HydrophobicContact CB-CZ 4.05Å; V106-F108 HydrophobicContact CG1-CD1 3.97Å; V106-F108 HydrophobicContact CG1-CD2 4.05Å; V106-F108 HydrophobicContact CG1-CE1 3.52Å; V106-F108 HydrophobicContact CG1-CE2 3.61Å; V106-F108 HydrophobicContact CG1-CG 4.22Å; V106-F108 HydrophobicContact CG1-CZ 3.3Å; V106-F108 VanDerWaalsContact O-CD2 3.25Å; V106-F108 WeakPolarHBondContact O-CD2 3.34Å; V106-F108 WeakPolarHBondContact O-CG 3.47Å; V106-F108 PolarHBondContact O-N 2.62Å; F108-G111 VanDerWaalsContact O-O 3.08Å; F108-P112 CarbonylContact O-C 3.57Å; F108-V113 HydrophobicContact CB-CB 4.49Å; F108-V113 HydrophobicContact CB-CG2 4.44Å; F108-V113 HydrophobicContact CD1-CB 4.33Å; F108-V113 HydrophobicContact CD1-CG1 3.84Å; F108-V113 HydrophobicContact CD2-CG2 4.36Å; F108-V113 HydrophobicContact CE1-CG1 4.01Å; F108-V113 HydrophobicContact CG-CB 4.35Å; F108-V113 HydrophobicContact CG-CG1 4.29Å; F108-V113 HydrophobicContact CG-CG2 4.23Å; F108-V113 WeakPolarHBondContact O-CA 3.39Å; F108-V113 PolarHBondContact O-N 2.77Å; F108-V115 HydrophobicContact CE1-CG2 4.42Å; F108-T124 HydrophobicContact CE1-CG2 4.32Å; F108-T124 HydrophobicContact CZ-CG2 3.73Å | ||
| 109 | V | 28.2 | Very low | 46.7 | Very low | 93 Ų | 93 | 53.2 Ų | 53.2 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 149.3 | -169.6 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | S107 G111 | S107-V109 PolarHBondContact O-N 3.16Å; V109-G111 CarbonylContact O-C 3.59Å; V109-G111 PolarHBondContact O-N 3.12Å |
| 110 | P | 29.8 | Very low | 45.5 | Very low | 139 Ų | 139 | 60.5 Ų | 60.5 | 90% | 0.903 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 71.8 | 166 | -22.9 | 36.4 | 0 | 0 | 0 | 112.1 | ||
| 111 | G | 26 | Very low | 44.6 | Very low | 48 Ų | 48 | 63.1 Ų | 63.1 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 145.6 | 104.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | F108 V109 | F108-G111 VanDerWaalsContact O-O 3.08Å; V109-G111 CarbonylContact O-C 3.59Å; V109-G111 PolarHBondContact O-N 3.12Å |
| 112 | P | 27.9 | Very low | 44.4 | Very low | 115 Ų | 115 | 62 Ų | 62 | 75% | 0.747 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 133.1 | -139.6 | 28.4 | -36.8 | 0 | 0 | 0 | 116.2 | F108 | F108-P112 CarbonylContact O-C 3.57Š|
| 113 | V | 26.5 | Very low | 44.3 | Very low | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | trans | 79.7 | 118.9 | 170.1 | -163.8 | 0 | 0 | 0 | 0 | 114.6 | F108 T121 I122 | F108-V113 HydrophobicContact CB-CB 4.49Å; F108-V113 HydrophobicContact CB-CG2 4.44Å; F108-V113 HydrophobicContact CD1-CB 4.33Å; F108-V113 HydrophobicContact CD1-CG1 3.84Å; F108-V113 HydrophobicContact CD2-CG2 4.36Å; F108-V113 HydrophobicContact CE1-CG1 4.01Å; F108-V113 HydrophobicContact CG-CB 4.35Å; F108-V113 HydrophobicContact CG-CG1 4.29Å; F108-V113 HydrophobicContact CG-CG2 4.23Å; F108-V113 WeakPolarHBondContact O-CA 3.39Å; F108-V113 PolarHBondContact O-N 2.77Å; V113-T121 HydrophobicContact CB-CG2 3.85Å; V113-T121 HydrophobicContact CG1-CG2 3.96Å; V113-T121 VanDerWaalsContact O-CB 3.31Å; V113-T121 WeakPolarHBondContact O-CB 3.38Å; V113-T121 WeakPolarHBondContact O-CG2 3.08Å; V113-T121 PolarHBondContact O-OG1 2.83Å; V113-I122 WeakPolarHBondContact CG1-O 3.36Å | ||
| 114 | E | 38 | Very low | 44.2 | Very low | 60 Ų | 60 | 63.6 Ų | 63.6 | 28% | 0.28 | 38% | 0.379 | S | S | . | . | trans | -142.7 | 109.7 | 140.1 | -63.2 | -143.7 | 159.3 | 0 | 0 | 110.5 | S116 G119 K120 T121 | E114-S116 WeakPolarHBondContact OE2-CB 3.29Å; E114-G119 VanDerWaalsContact OE2-C 3.25Å; E114-G119 WeakPolarHBondContact OE2-CA 3.48Å; E114-K120 VanDerWaalsContact OE1-C 3.23Å; E114-K120 WeakPolarHBondContact OE1-CA 3.47Å; E114-K120 PolarHBondContact OE1-N 2.96Å; E114-K120 PolarHBondContact OE2-N 2.84Å; E114-K120 VanDerWaalsContact OE2-N 3.07Å; E114-T121 PolarHBondContact OE1-N 3.45Å; E114-T121 PolarHBondContact OE1-OG1 2.91Å | ||
| 115 | V | 44.6 | Very low | 44.7 | Very low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | -74.9 | 128.8 | 126.8 | 164 | 0 | 0 | 0 | 0 | 105.3 | F108 I122 T124 F138 Y146 E147 L148 | F108-V115 HydrophobicContact CE1-CG2 4.42Å; V115-I122 HydrophobicContact CB-CB 4.17Å; V115-I122 HydrophobicContact CG1-CB 4.33Å; V115-I122 HydrophobicContact CG1-CD1 4.29Å; V115-I122 WeakPolarHBondContact O-CB 3.36Å; V115-I122 WeakPolarHBondContact O-CD1 3.42Å; V115-I122 PolarHBondContact O-N 2.87Å; V115-T124 HydrophobicContact CG2-CG2 4.39Å; V115-T124 VanDerWaalsContact CG2-OG1 3.25Å; V115-T124 WeakPolarHBondContact CG2-OG1 3.35Å; V115-F138 HydrophobicContact CG1-CD1 4.49Å; V115-F138 HydrophobicContact CG1-CE1 4.1Å; V115-F138 HydrophobicContact CG1-CE2 4.29Å; V115-F138 HydrophobicContact CG1-CZ 3.99Å; V115-F138 HydrophobicContact CG2-CD1 4.17Å; V115-F138 HydrophobicContact CG2-CE1 4.19Å; V115-Y146 HydrophobicContact CG1-CD1 3.77Å; V115-E147 VanDerWaalsContact CA-O 3.31Å; V115-E147 WeakPolarHBondContact CA-O 3.4Å; V115-L148 HydrophobicContact CG2-CD1 3.77Å | |
| 116 | S | 43.5 | Very low | 45.4 | Very low | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.3 | -167.2 | 140.3 | 0 | 0 | 0 | 0 | 112.4 | E114 G119 K120 Y146 E147 | E114-S116 WeakPolarHBondContact OE2-CB 3.29Å; S116-G119 PolarHBondContact OG-N 2.81Å; S116-K120 WeakPolarHBondContact CA-O 3.41Å; S116-Y146 CarbonylContact O-C 3.5Å; S116-Y146 WeakPolarHBondContact O-CA 3.43Å; S116-E147 PolarHBondContact N-O 3.32Å; S116-E147 PolarHBondContact O-N 2.74Å |
| 117 | R | 43.5 | Very low | 46.6 | Very low | 51 Ų | 51 | 67.3 Ų | 67.3 | 19% | 0.192 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -108.5 | 109.1 | 153.2 | 179.7 | -173.7 | 173 | 154.1 | 13.7 | 107.9 | G119 K120 I122 S142 D143 Y146 | R117-G119 VanDerWaalsContact C-N 3.27Å; R117-G119 PolarHBondContact O-N 2.82Å; R117-K120 PolarHBondContact N-O 2.91Å; R117-I122 HydrophobicContact CB-CD1 4.17Å; R117-S142 WeakPolarHBondContact CD-OG 3.26Å; R117-S142 PolarHBondContact NH1-OG 2.85Å; R117-D143 PolarHBondContact NH1-O 3.39Å; R117-D143 IonicContact NH1-OD1 3.94Å; R117-D143 PolarHBondContact NH2-O 2.91Å; R117-Y146 HydrophobicContact CB-CD2 4.49Å; R117-Y146 HydrophobicContact CB-CE2 4.3Å |
| 118 | C | 49.3 | Very low | 48.2 | Very low | 125 Ų | 125 | 70.7 Ų | 70.7 | 85% | 0.845 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 56.7 | 33.8 | -177.9 | -53.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 119 | G | 46.7 | Very low | 50.1 | Low | 48 Ų | 48 | 73.1 Ų | 73.1 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 73.5 | 54.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | E114 S116 R117 | E114-G119 VanDerWaalsContact OE2-C 3.25Å; E114-G119 WeakPolarHBondContact OE2-CA 3.48Å; S116-G119 PolarHBondContact OG-N 2.81Å; R117-G119 VanDerWaalsContact C-N 3.27Å; R117-G119 PolarHBondContact O-N 2.82Å |
| 120 | K | 45.4 | Very low | 52.3 | Low | 154 Ų | 154 | 73.2 Ų | 73.2 | 67% | 0.67 | 43% | 0.425 | S | S | * | . | trans | -145.6 | 132.5 | 171.9 | -76.5 | -169.8 | 177.2 | -179.3 | 0 | 111.5 | E114 S116 R117 | E114-K120 VanDerWaalsContact OE1-C 3.23Å; E114-K120 WeakPolarHBondContact OE1-CA 3.47Å; E114-K120 PolarHBondContact OE1-N 2.96Å; E114-K120 PolarHBondContact OE2-N 2.84Å; E114-K120 VanDerWaalsContact OE2-N 3.07Å; S116-K120 WeakPolarHBondContact CA-O 3.41Å; R117-K120 PolarHBondContact N-O 2.91Å | ||
| 121 | T | 49.8 | Very low | 54.5 | Low | 77 Ų | 77 | 76.9 Ų | 76.9 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.2 | 129.1 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 115.3 | V113 E114 | V113-T121 HydrophobicContact CB-CG2 3.85Å; V113-T121 HydrophobicContact CG1-CG2 3.96Å; V113-T121 VanDerWaalsContact O-CB 3.31Å; V113-T121 WeakPolarHBondContact O-CB 3.38Å; V113-T121 WeakPolarHBondContact O-CG2 3.08Å; V113-T121 PolarHBondContact O-OG1 2.83Å; E114-T121 PolarHBondContact OE1-N 3.45Å; E114-T121 PolarHBondContact OE1-OG1 2.91Å |
| 122 | I | 61.5 | Low | 56.6 | Low | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.4 | 158.6 | -68.9 | 126.8 | 0 | 0 | 0 | 109.4 | V113 V115 R117 T124 F138 Y146 | V113-I122 WeakPolarHBondContact CG1-O 3.36Å; V115-I122 HydrophobicContact CB-CB 4.17Å; V115-I122 HydrophobicContact CG1-CB 4.33Å; V115-I122 HydrophobicContact CG1-CD1 4.29Å; V115-I122 WeakPolarHBondContact O-CB 3.36Å; V115-I122 WeakPolarHBondContact O-CD1 3.42Å; V115-I122 PolarHBondContact O-N 2.87Å; R117-I122 HydrophobicContact CB-CD1 4.17Å; I122-T124 PolarHBondContact O-N 3.38Å; I122-T124 PolarHBondContact O-OG1 3.42Å; I122-F138 HydrophobicContact CG2-CB 4.32Å; I122-F138 HydrophobicContact CG2-CD2 4.06Å; I122-F138 HydrophobicContact CG2-CG 4.41Å; I122-Y146 HydrophobicContact CD1-CD1 3.82Å; I122-Y146 HydrophobicContact CD1-CE1 3.39Å; I122-Y146 HydrophobicContact CG1-CE1 4.15Å |
| 123 | D | 60 | Low | 58.9 | Low | 135 Ų | 135 | 74.8 Ų | 74.8 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | trans | -55.9 | 129.3 | 177.6 | -83.1 | -43.4 | 0 | 0 | 0 | 111.9 | F138 | D123-F138 WeakPolarHBondContact O-CB 3.41Š| ||
| 124 | T | 62.4 | Low | 61.4 | Low | 16 Ų | 16 | 75 Ų | 75 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | trans | -137.4 | 121.7 | -175.7 | -59 | 0 | 0 | 0 | 0 | 109.5 | F108 V115 I122 A136 R137 F138 | F108-T124 HydrophobicContact CE1-CG2 4.32Å; F108-T124 HydrophobicContact CZ-CG2 3.73Å; V115-T124 HydrophobicContact CG2-CG2 4.39Å; V115-T124 VanDerWaalsContact CG2-OG1 3.25Å; V115-T124 WeakPolarHBondContact CG2-OG1 3.35Å; I122-T124 PolarHBondContact O-N 3.38Å; I122-T124 PolarHBondContact O-OG1 3.42Å; T124-A136 HydrophobicContact CG2-CB 4.14Å; T124-R137 CarbonylContact C-O 3.55Å; T124-R137 WeakPolarHBondContact CA-O 3.26Å; T124-F138 HydrophobicContact CG2-CB 4.36Å; T124-F138 HydrophobicContact CG2-CD1 4.33Å | ||
| 125 | S | 68.7 | Low | 63.4 | Low | 58 Ų | 58 | 73.1 Ų | 73.1 | 41% | 0.406 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142.9 | 175.2 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | A136 R137 | S125-A136 CarbonylContact O-C 3.55Å; S125-A136 WeakPolarHBondContact O-CA 3.41Å; S125-R137 PolarHBondContact N-O 2.79Å; S125-R137 PolarHBondContact O-N 2.86Å; S125-R137 PolarHBondContact OG-O 2.86Å |
| 126 | M | 70 | Confident | 64.9 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.8 | 175 | -175.6 | -176.4 | 179 | 0 | 0 | 110 | V104 V106 Y134 L135 | V104-M126 HydrophobicContact CB-CE 4.43Å; V104-M126 HydrophobicContact CG1-CE 4.02Å; V106-M126 HydrophobicContact CB-SD 3.84Å; V106-M126 HydrophobicContact CG2-CE 3.79Å; V106-M126 HydrophobicContact CG2-CG 4.47Å; V106-M126 HydrophobicContact CG2-SD 3.5Å; V106-M126 WeakPolarHBondContact CG2-SD 3.33Å; M126-Y134 HydrophobicContact CE-CD1 3.69Å; M126-Y134 HydrophobicContact CE-CD2 4.49Å; M126-Y134 HydrophobicContact CE-CE1 4.49Å; M126-Y134 HydrophobicContact CE-CG 3.69Å; M126-L135 WeakPolarHBondContact CA-O 3.38Å |
| 127 | E | 76.2 | Confident | 66.5 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155 | 175 | 70.4 | -171.2 | -167.1 | 0 | 0 | 111.5 | I129 Y134 L135 R137 | E127-I129 HydrophobicContact CG-CG2 3.95Å; E127-Y134 CarbonylContact O-C 3.55Å; E127-Y134 WeakPolarHBondContact O-CA 3.45Å; E127-Y134 WeakPolarHBondContact O-CB 3.41Å; E127-L135 HydrophobicContact CG-CB 4.14Å; E127-L135 PolarHBondContact N-O 3.42Å; E127-L135 PolarHBondContact O-N 3.07Å; E127-R137 VanDerWaalsContact CD-NH2 3.29Å; E127-R137 IonicContact OE1-CZ 3.82Å; E127-R137 IonicContact OE1-NH1 3.6Å; E127-R137 PolarHBondContact OE1-NH1 3.04Å; E127-R137 IonicContact OE1-NH2 2.61Å; E127-R137 IonicContact OE2-CZ 2.87Å; E127-R137 IonicContact OE2-NH1 3.65Å; E127-R137 PolarHBondContact OE2-NH1 3.02Å; E127-R137 IonicContact OE2-NH2 3.65Å; E127-R137 PolarHBondContact OE2-NH2 3.26Å |
| 128 | Q | 75.6 | Confident | 68.2 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.8 | 171 | -171 | 172.1 | -5.9 | 0 | 0 | 109.4 | D130 R133 Y134 | Q128-D130 WeakPolarHBondContact CG-O 3.44Å; Q128-D130 PolarHBondContact NE2-O 3.26Å; Q128-R133 CarbonylContact C-O 3.57Å; Q128-R133 WeakPolarHBondContact CG-O 3.48Å; Q128-Y134 HydrophobicContact CB-CD1 3.66Å; Q128-Y134 HydrophobicContact CB-CE1 3.7Å; Q128-Y134 HydrophobicContact CG-CD1 3.79Å; Q128-Y134 HydrophobicContact CG-CE1 3.57Å |
| 129 | I | 78.9 | Confident | 69.5 | Low | 85 Ų | 85 | 69.6 Ų | 69.6 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -26 | -176.5 | 59.8 | 171 | 0 | 0 | 0 | 113.1 | V93 E127 R133 L135 | V93-I129 HydrophobicContact CG1-CD1 4.23Å; E127-I129 HydrophobicContact CG-CG2 3.95Å; I129-R133 HydrophobicContact CD1-CB 4.21Å; I129-R133 HydrophobicContact CG1-CB 3.73Å; I129-R133 WeakPolarHBondContact CG1-O 3.46Å; I129-R133 PolarHBondContact N-O 2.97Å; I129-L135 HydrophobicContact CD1-CB 4.42Å; I129-L135 HydrophobicContact CG2-CB 3.64Å; I129-L135 HydrophobicContact CG2-CD2 4.28Å |
| 130 | D | 74.4 | Confident | 70.7 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 173.9 | 172.5 | -163.9 | 1.2 | 0 | 0 | 0 | 109.9 | Q128 G132 R133 | Q128-D130 WeakPolarHBondContact CG-O 3.44Å; Q128-D130 PolarHBondContact NE2-O 3.26Å; D130-G132 PolarHBondContact O-N 2.91Å; D130-R133 HydrophobicContact CB-CB 4.02Å; D130-R133 HydrophobicContact CB-CG 4.45Å; D130-R133 PolarHBondContact N-O 3.12Å; D130-R133 PolarHBondContact O-N 3.12Å; D130-R133 VanDerWaalsContact O-O 3.11Å |
| 131 | R | 75.6 | Confident | 72 | Confident | 217 Ų | 217 | 67.4 Ų | 67.4 | 82% | 0.819 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 108.1 | 173.9 | -77.4 | -174.4 | 167.4 | -163.6 | -3.5 | 110.7 | T97 R133 | T97-R131 VanDerWaalsContact CG2-O 3.26Å; T97-R131 WeakPolarHBondContact CG2-O 3.17Å; R131-R133 VanDerWaalsContact C-N 3.34Å |
| 132 | G | 69.6 | Low | 72.5 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 1.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A96 D130 | A96-G132 WeakPolarHBondContact CA-O 3.34Å; A96-G132 WeakPolarHBondContact CB-O 3.33Å; A96-G132 PolarHBondContact N-O 3.32Å; D130-G132 PolarHBondContact O-N 2.91Å |
| 133 | R | 77.6 | Confident | 72.5 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.6 | 176.5 | -67.9 | 178.8 | 163.5 | -175.5 | -10.3 | 111.8 | I94 D95 T97 Q128 I129 D130 R131 | I94-R133 CarbonylContact O-C 3.57Å; I94-R133 WeakPolarHBondContact O-CA 3.27Å; D95-R133 HydrophobicContact CB-CG 4.11Å; D95-R133 VanDerWaalsContact CG-NE 3.26Å; D95-R133 WeakPolarHBondContact OD1-CG 3.46Å; D95-R133 IonicContact OD1-NE 3.53Å; D95-R133 PolarHBondContact OD1-NE 2.8Å; D95-R133 IonicContact OD2-CZ 3.59Å; D95-R133 VanDerWaalsContact OD2-CZ 3.22Å; D95-R133 IonicContact OD2-NE 3.72Å; D95-R133 PolarHBondContact OD2-NE 3.32Å; D95-R133 IonicContact OD2-NH2 2.94Å; D95-R133 PolarHBondContact OD2-NH2 2.92Å; T97-R133 HydrophobicContact CG2-CG 4.02Å; Q128-R133 CarbonylContact C-O 3.57Å; Q128-R133 WeakPolarHBondContact CG-O 3.48Å; I129-R133 HydrophobicContact CD1-CB 4.21Å; I129-R133 HydrophobicContact CG1-CB 3.73Å; I129-R133 WeakPolarHBondContact CG1-O 3.46Å; I129-R133 PolarHBondContact N-O 2.97Å; D130-R133 HydrophobicContact CB-CB 4.02Å; D130-R133 HydrophobicContact CB-CG 4.45Å; D130-R133 PolarHBondContact N-O 3.12Å; D130-R133 PolarHBondContact O-N 3.12Å; D130-R133 VanDerWaalsContact O-O 3.11Å; R131-R133 VanDerWaalsContact C-N 3.34Å |
| 134 | Y | 78.9 | Confident | 72.6 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156 | -176.7 | -52.2 | -95.5 | 0 | 0 | 0 | 110.5 | V93 I94 V104 M126 E127 Q128 | V93-Y134 CarbonylContact C-O 3.57Å; V93-Y134 WeakPolarHBondContact CA-O 3.34Å; I94-Y134 PolarHBondContact N-O 2.98Å; I94-Y134 PolarHBondContact O-N 2.78Å; V104-Y134 HydrophobicContact CB-CD2 3.82Å; V104-Y134 HydrophobicContact CB-CE2 3.6Å; V104-Y134 HydrophobicContact CB-CG 4.49Å; V104-Y134 HydrophobicContact CG1-CD2 4.26Å; V104-Y134 HydrophobicContact CG2-CD2 3.85Å; V104-Y134 HydrophobicContact CG2-CE2 3.44Å; V104-Y134 VanDerWaalsContact CG2-CE2 3.44Å; M126-Y134 HydrophobicContact CE-CD1 3.69Å; M126-Y134 HydrophobicContact CE-CD2 4.49Å; M126-Y134 HydrophobicContact CE-CE1 4.49Å; M126-Y134 HydrophobicContact CE-CG 3.69Å; E127-Y134 CarbonylContact O-C 3.55Å; E127-Y134 WeakPolarHBondContact O-CA 3.45Å; E127-Y134 WeakPolarHBondContact O-CB 3.41Å; Q128-Y134 HydrophobicContact CB-CD1 3.66Å; Q128-Y134 HydrophobicContact CB-CE1 3.7Å; Q128-Y134 HydrophobicContact CG-CD1 3.79Å; Q128-Y134 HydrophobicContact CG-CE1 3.57Å |
| 135 | L | 78.6 | Confident | 72.7 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.7 | 176.9 | 171 | 58.7 | 0 | 0 | 0 | 109 | R91 F92 V93 M126 E127 I129 R137 | R91-L135 HydrophobicContact CB-CD1 4.1Å; F92-L135 CarbonylContact O-C 3.56Å; F92-L135 WeakPolarHBondContact O-CA 3.3Å; V93-L135 HydrophobicContact CG2-CD1 4.1Å; M126-L135 WeakPolarHBondContact CA-O 3.38Å; E127-L135 HydrophobicContact CG-CB 4.14Å; E127-L135 PolarHBondContact N-O 3.42Å; E127-L135 PolarHBondContact O-N 3.07Å; I129-L135 HydrophobicContact CD1-CB 4.42Å; I129-L135 HydrophobicContact CG2-CB 3.64Å; I129-L135 HydrophobicContact CG2-CD2 4.28Å; L135-R137 HydrophobicContact CD1-CG 4.11Å; L135-R137 HydrophobicContact CD2-CG 4.4Å; L135-R137 HydrophobicContact CG-CG 3.98Å |
| 136 | A | 77.2 | Confident | 72.9 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R91 F92 T124 S125 | R91-A136 WeakPolarHBondContact CA-O 3.26Å; F92-A136 HydrophobicContact CB-CB 4.42Å; F92-A136 PolarHBondContact N-O 3.23Å; F92-A136 PolarHBondContact O-N 3.07Å; T124-A136 HydrophobicContact CG2-CB 4.14Å; S125-A136 CarbonylContact O-C 3.55Å; S125-A136 WeakPolarHBondContact O-CA 3.41Å |
| 137 | R | 76.1 | Confident | 72.9 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.3 | -177.8 | -51.9 | 178.4 | -73.1 | -114.2 | -11 | 113.5 | E89 V90 R91 T124 S125 E127 L135 | E89-R137 HydrophobicContact CG-CB 4.44Å; V90-R137 VanDerWaalsContact O-CA 3.27Å; V90-R137 WeakPolarHBondContact O-CA 3.43Å; R91-R137 HydrophobicContact CG-CG 4.17Å; T124-R137 CarbonylContact C-O 3.55Å; T124-R137 WeakPolarHBondContact CA-O 3.26Å; S125-R137 PolarHBondContact N-O 2.79Å; S125-R137 PolarHBondContact O-N 2.86Å; S125-R137 PolarHBondContact OG-O 2.86Å; E127-R137 VanDerWaalsContact CD-NH2 3.29Å; E127-R137 IonicContact OE1-CZ 3.82Å; E127-R137 IonicContact OE1-NH1 3.6Å; E127-R137 PolarHBondContact OE1-NH1 3.04Å; E127-R137 IonicContact OE1-NH2 2.61Å; E127-R137 IonicContact OE2-CZ 2.87Å; E127-R137 IonicContact OE2-NH1 3.65Å; E127-R137 PolarHBondContact OE2-NH1 3.02Å; E127-R137 IonicContact OE2-NH2 3.65Å; E127-R137 PolarHBondContact OE2-NH2 3.26Å; L135-R137 HydrophobicContact CD1-CG 4.11Å; L135-R137 HydrophobicContact CD2-CG 4.4Å; L135-R137 HydrophobicContact CG-CG 3.98Å |
| 138 | F | 80 | Confident | 72.8 | Confident | 11 Ų | 11 | 61 Ų | 61 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 170.4 | 171.7 | 69.5 | -89.3 | 0 | 0 | 0 | 111.8 | V90 F92 V115 I122 D123 T124 P140 Y146 M164 | V90-F138 HydrophobicContact CB-CD1 4.29Å; V90-F138 HydrophobicContact CB-CD2 4.42Å; V90-F138 HydrophobicContact CB-CE1 3.98Å; V90-F138 HydrophobicContact CB-CE2 4.11Å; V90-F138 HydrophobicContact CB-CG 4.5Å; V90-F138 HydrophobicContact CB-CZ 3.89Å; V90-F138 HydrophobicContact CG1-CD1 4.29Å; V90-F138 HydrophobicContact CG1-CE1 3.6Å; V90-F138 HydrophobicContact CG1-CE2 4.36Å; V90-F138 HydrophobicContact CG1-CZ 3.65Å; V90-F138 HydrophobicContact CG2-CE2 4.2Å; V90-F138 HydrophobicContact CG2-CZ 4.25Å; V90-F138 PolarHBondContact N-O 2.82Å; V90-F138 PolarHBondContact O-N 2.65Å; V90-F138 VanDerWaalsContact O-N 3.16Å; F92-F138 HydrophobicContact CD2-CE1 4.4Å; F92-F138 HydrophobicContact CE2-CE1 4.09Å; V115-F138 HydrophobicContact CG1-CD1 4.49Å; V115-F138 HydrophobicContact CG1-CE1 4.1Å; V115-F138 HydrophobicContact CG1-CE2 4.29Å; V115-F138 HydrophobicContact CG1-CZ 3.99Å; V115-F138 HydrophobicContact CG2-CD1 4.17Å; V115-F138 HydrophobicContact CG2-CE1 4.19Å; I122-F138 HydrophobicContact CG2-CB 4.32Å; I122-F138 HydrophobicContact CG2-CD2 4.06Å; I122-F138 HydrophobicContact CG2-CG 4.41Å; D123-F138 WeakPolarHBondContact O-CB 3.41Å; T124-F138 HydrophobicContact CG2-CB 4.36Å; T124-F138 HydrophobicContact CG2-CD1 4.33Å; F138-P140 HydrophobicContact CE2-CB 4.21Å; F138-Y146 HydrophobicContact CD2-CD1 4.48Å; F138-Y146 HydrophobicContact CD2-CE1 4.47Å; F138-Y146 AromaticContact CE2-CD1 3.55Å; F138-Y146 HydrophobicContact CE2-CD1 3.55Å; F138-Y146 AromaticContact CE2-CE1 3.84Å; F138-Y146 HydrophobicContact CE2-CE1 3.84Å; F138-Y146 AromaticContact CZ-CD1 3.96Å; F138-Y146 HydrophobicContact CZ-CD1 3.96Å; F138-M164 HydrophobicContact CE2-CE 4.32Å; F138-M164 HydrophobicContact CZ-CE 3.88Å |
| 139 | V | 77.1 | Confident | 72.5 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | trans | -124.9 | 116.2 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | G87 E89 Q141 | G87-V139 WeakPolarHBondContact O-CG1 3.41Å; E89-V139 HydrophobicContact CB-CG2 4.27Å; E89-V139 HydrophobicContact CG-CG2 4.4Å; V139-Q141 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-NE2 3.18Å; V139-Q141 VanDerWaalsContact O-NE2 3.1Å | ||
| 140 | P | 71.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -75.9 | 122 | -175.8 | 30.4 | -29.8 | 0 | 0 | 0 | 111.1 | G87 G88 V90 F138 S142 Y146 V166 | G87-P140 PolarHBondContact N-O 3.46Å; G88-P140 WeakPolarHBondContact O-CD 3.19Å; V90-P140 HydrophobicContact CG2-CG 4.16Å; F138-P140 HydrophobicContact CE2-CB 4.21Å; P140-S142 VanDerWaalsContact C-N 3.32Å; P140-Y146 HydrophobicContact CB-CE1 3.73Å; P140-Y146 HydrophobicContact CB-CE2 4.34Å; P140-V166 HydrophobicContact CB-CB 4.26Å; P140-V166 HydrophobicContact CB-CG1 3.9Å; P140-V166 HydrophobicContact CB-CG2 3.78Å; P140-V166 HydrophobicContact CG-CB 4.19Å; P140-V166 HydrophobicContact CG-CG1 3.8Å; P140-V166 HydrophobicContact CG-CG2 4.21Å | ||
| 141 | Q | 71.9 | Confident | 72.3 | Confident | 155 Ų | 155 | 49.2 Ų | 49.2 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | trans | -85.4 | -1.9 | 179.4 | -54.6 | -58.7 | -58.2 | 0 | 0 | 113.5 | V139 | V139-Q141 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-NE2 3.18Å; V139-Q141 VanDerWaalsContact O-NE2 3.1Å | ||
| 142 | S | 60.3 | Low | 72.4 | Confident | 24 Ų | 24 | 39 Ų | 39 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -156.2 | 155.9 | -172.4 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | L86 R117 P140 Y146 | L86-S142 VanDerWaalsContact CD1-C 3.47Å; L86-S142 VanDerWaalsContact CD1-N 3.28Å; R117-S142 WeakPolarHBondContact CD-OG 3.26Å; R117-S142 PolarHBondContact NH1-OG 2.85Å; P140-S142 VanDerWaalsContact C-N 3.32Å; S142-Y146 PolarHBondContact N-OH 3.21Å; S142-Y146 WeakPolarHBondContact O-CE2 3.5Å; S142-Y146 PolarHBondContact O-OH 2.81Å; S142-Y146 PolarHBondContact OG-OH 3.16Å |
| 143 | D | 62.4 | Low | 72.5 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -91.8 | 126.5 | -174.3 | 59.3 | -36.5 | 0 | 0 | 0 | 113.7 | R117 V166 | R117-D143 PolarHBondContact NH1-O 3.39Å; R117-D143 IonicContact NH1-OD1 3.94Å; R117-D143 PolarHBondContact NH2-O 2.91Å; D143-V166 CarbonylContact C-O 3.59Å; D143-V166 VanDerWaalsContact CA-O 3.28Å; D143-V166 WeakPolarHBondContact CA-O 3.08Å |
| 144 | G | 60.6 | Low | 72 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.1 | -167.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y146 V166 | G144-Y146 WeakPolarHBondContact O-CD2 3.38Å; G144-V166 PolarHBondContact N-O 3.09Å; G144-V166 WeakPolarHBondContact O-CG2 3.49Å; G144-V166 PolarHBondContact O-N 2.84Å |
| 145 | R | 65.8 | Low | 71.5 | Confident | 145 Ų | 145 | 42.9 Ų | 42.9 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.2 | -178.2 | -163.4 | 178.9 | -173.2 | -161.8 | 2.6 | 113.4 | T163 M164 | R145-T163 PolarHBondContact NE-OG1 2.93Å; R145-T163 PolarHBondContact NH2-OG1 3.15Å; R145-M164 WeakPolarHBondContact CA-O 3.41Å |
| 146 | Y | 72.3 | Confident | 71.2 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146 | 179.3 | -80.4 | -126.2 | 0 | 0 | 0 | 109.9 | V115 S116 R117 I122 F138 P140 S142 G144 T163 M164 V166 | V115-Y146 HydrophobicContact CG1-CD1 3.77Å; S116-Y146 CarbonylContact O-C 3.5Å; S116-Y146 WeakPolarHBondContact O-CA 3.43Å; R117-Y146 HydrophobicContact CB-CD2 4.49Å; R117-Y146 HydrophobicContact CB-CE2 4.3Å; I122-Y146 HydrophobicContact CD1-CD1 3.82Å; I122-Y146 HydrophobicContact CD1-CE1 3.39Å; I122-Y146 HydrophobicContact CG1-CE1 4.15Å; F138-Y146 HydrophobicContact CD2-CD1 4.48Å; F138-Y146 HydrophobicContact CD2-CE1 4.47Å; F138-Y146 AromaticContact CE2-CD1 3.55Å; F138-Y146 HydrophobicContact CE2-CD1 3.55Å; F138-Y146 AromaticContact CE2-CE1 3.84Å; F138-Y146 HydrophobicContact CE2-CE1 3.84Å; F138-Y146 AromaticContact CZ-CD1 3.96Å; F138-Y146 HydrophobicContact CZ-CD1 3.96Å; P140-Y146 HydrophobicContact CB-CE1 3.73Å; P140-Y146 HydrophobicContact CB-CE2 4.34Å; S142-Y146 PolarHBondContact N-OH 3.21Å; S142-Y146 WeakPolarHBondContact O-CE2 3.5Å; S142-Y146 PolarHBondContact O-OH 2.81Å; S142-Y146 PolarHBondContact OG-OH 3.16Å; G144-Y146 WeakPolarHBondContact O-CD2 3.38Å; Y146-T163 CarbonylContact O-C 3.47Å; Y146-T163 VanDerWaalsContact O-CA 3.27Å; Y146-T163 WeakPolarHBondContact O-CA 3.22Å; Y146-M164 HydrophobicContact CG-CE 4.47Å; Y146-M164 PolarHBondContact N-O 2.93Å; Y146-M164 PolarHBondContact O-N 3.08Å; Y146-V166 HydrophobicContact CD1-CG2 4.46Å; Y146-V166 HydrophobicContact CD2-CG2 3.2Å; Y146-V166 HydrophobicContact CE1-CG2 4.47Å; Y146-V166 HydrophobicContact CE2-CG2 3.22Å; Y146-V166 HydrophobicContact CG-CG2 3.91Å |
| 147 | E | 69.5 | Low | 71.3 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.7 | -179.3 | -51.9 | -167.7 | 155 | 0 | 0 | 113.3 | V115 S116 F162 T163 | V115-E147 VanDerWaalsContact CA-O 3.31Å; V115-E147 WeakPolarHBondContact CA-O 3.4Å; S116-E147 PolarHBondContact N-O 3.32Å; S116-E147 PolarHBondContact O-N 2.74Å; E147-F162 CarbonylContact C-O 3.56Å; E147-F162 WeakPolarHBondContact CA-O 3.42Å; E147-T163 HydrophobicContact CB-CG2 4.37Å; E147-T163 HydrophobicContact CG-CG2 3.81Å |
| 148 | L | 75.4 | Confident | 71.3 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.4 | -177.7 | 176.2 | 71.7 | 0 | 0 | 0 | 111.9 | F92 V106 V115 P161 F162 | F92-L148 HydrophobicContact CB-CD2 3.86Å; F92-L148 HydrophobicContact CD1-CD2 3.65Å; F92-L148 HydrophobicContact CD2-CD2 3.79Å; F92-L148 HydrophobicContact CE1-CD2 4.11Å; F92-L148 HydrophobicContact CE2-CD2 4.23Å; F92-L148 HydrophobicContact CG-CD2 3.48Å; F92-L148 VanDerWaalsContact CG-CD2 3.48Å; F92-L148 HydrophobicContact CZ-CD2 4.39Å; V106-L148 HydrophobicContact CG1-CD1 3.95Å; V115-L148 HydrophobicContact CG2-CD1 3.77Å; L148-P161 CarbonylContact O-C 3.58Å; L148-P161 WeakPolarHBondContact O-CA 3.32Å; L148-P161 WeakPolarHBondContact O-CB 3.22Å; L148-F162 PolarHBondContact N-O 3.05Å; L148-F162 PolarHBondContact O-N 3.24Å |
| 149 | S | 68.7 | Low | 70.9 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | trans | -113.1 | 139.3 | 179.5 | -73.5 | 0 | 0 | 0 | 0 | 114.3 | V106 S107 S160 | V106-S149 CarbonylContact C-O 3.47Å; V106-S149 VanDerWaalsContact CG1-O 3.26Å; V106-S149 WeakPolarHBondContact CG1-O 3.24Å; S107-S149 PolarHBondContact N-O 2.86Å; S107-S149 VanDerWaalsContact N-O 3.1Å; S149-S160 WeakPolarHBondContact CA-OG 3.35Å | ||
| 150 | A | 75.2 | Confident | 70.7 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | trans | -140 | 148.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V157 S160 | A150-V157 HydrophobicContact CB-CG2 3.76Å; A150-V157 PolarHBondContact O-N 2.8Å; A150-V157 VanDerWaalsContact O-N 3.15Å; A150-S160 PolarHBondContact N-OG 2.87Å | ||
| 151 | T | 72.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 158.8 | 178.4 | 62.9 | 0 | 0 | 0 | 0 | 112 | V104 E105 S107 H155 K156 | V104-T151 WeakPolarHBondContact CA-O 3.29Å; E105-T151 PolarHBondContact N-O 2.87Å; E105-T151 PolarHBondContact O-N 2.64Å; E105-T151 VanDerWaalsContact O-O 3.06Å; E105-T151 PolarHBondContact O-OG1 2.81Å; S107-T151 VanDerWaalsContact CB-CG2 3.5Å; T151-H155 CarbonylContact C-O 3.56Å; T151-H155 WeakPolarHBondContact CA-O 3.45Å; T151-H155 VanDerWaalsContact CB-O 3.24Å; T151-H155 WeakPolarHBondContact CB-O 3.43Å; T151-K156 HydrophobicContact CG2-CG 4.29Å |
| 152 | L | 77.5 | Confident | 70.6 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.7 | 167 | 179.8 | 76.3 | 0 | 0 | 0 | 108 | Y71 P73 V76 A99 V104 G154 H155 V157 | Y71-L152 HydrophobicContact CD2-CD2 4.07Å; P73-L152 HydrophobicContact CB-CB 4.23Å; P73-L152 HydrophobicContact CB-CD2 4.35Å; P73-L152 HydrophobicContact CG-CB 4.38Å; P73-L152 HydrophobicContact CG-CD2 4.19Å; V76-L152 HydrophobicContact CG2-CB 4.21Å; V76-L152 HydrophobicContact CG2-CD2 3.99Å; V76-L152 HydrophobicContact CG2-CG 4.5Å; A99-L152 HydrophobicContact CB-CD2 3.74Å; V104-L152 HydrophobicContact CG2-CD1 3.67Å; L152-G154 PolarHBondContact O-N 2.99Å; L152-H155 PolarHBondContact N-O 2.83Å; L152-H155 PolarHBondContact O-N 3.02Å; L152-V157 HydrophobicContact CB-CG1 4.38Å |
| 153 | N | 72 | Confident | 71 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 38.2 | -175.3 | -59.9 | -29.7 | 0 | 0 | 0 | 112.8 | Y71 G102 V103 H155 | Y71-N153 HydrophobicContact CE2-CB 4.01Å; Y71-N153 VanDerWaalsContact CE2-ND2 3.32Å; Y71-N153 WeakPolarHBondContact CE2-ND2 3.41Å; G102-N153 WeakPolarHBondContact CA-ND2 3.18Å; G102-N153 WeakPolarHBondContact CA-OD1 3.41Å; V103-N153 PolarHBondContact N-OD1 2.87Å; V103-N153 PolarHBondContact O-N 2.91Å; N153-H155 VanDerWaalsContact C-N 3.3Å; N153-H155 PolarHBondContact O-N 2.98Å |
| 154 | G | 68.1 | Low | 71.5 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 58% | 0.577 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -10.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L152 | L152-G154 PolarHBondContact O-N 2.99Š|
| 155 | H | 68.4 | Low | 72 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.8 | 174.6 | -70.6 | -90.2 | 0 | 0 | 0 | 111.1 | P73 T151 L152 N153 V157 | P73-H155 HydrophobicContact CB-CB 4.32Å; P73-H155 HydrophobicContact CG-CB 3.79Å; T151-H155 CarbonylContact C-O 3.56Å; T151-H155 WeakPolarHBondContact CA-O 3.45Å; T151-H155 VanDerWaalsContact CB-O 3.24Å; T151-H155 WeakPolarHBondContact CB-O 3.43Å; L152-H155 PolarHBondContact N-O 2.83Å; L152-H155 PolarHBondContact O-N 3.02Å; N153-H155 VanDerWaalsContact C-N 3.3Å; N153-H155 PolarHBondContact O-N 2.98Å; H155-V157 PolarHBondContact O-N 3.49Å |
| 156 | K | 71.2 | Confident | 72.3 | Confident | 138 Ų | 138 | 42.9 Ų | 42.9 | 60% | 0.6 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 136.8 | 175.6 | -76.9 | -165.8 | 171.1 | -163.4 | 0 | 111.4 | T151 | T151-K156 HydrophobicContact CG2-CG 4.29Å |
| 157 | V | 79.6 | Confident | 72.2 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 162.9 | 170.5 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | V76 V78 A150 L152 H155 S160 F162 | V76-V157 HydrophobicContact CB-CB 4.11Å; V76-V157 HydrophobicContact CB-CG1 3.69Å; V76-V157 HydrophobicContact CG1-CB 4.4Å; V76-V157 HydrophobicContact CG1-CG1 3.86Å; V76-V157 HydrophobicContact CG2-CG1 3.92Å; V78-V157 HydrophobicContact CG2-CG2 4.32Å; A150-V157 HydrophobicContact CB-CG2 3.76Å; A150-V157 PolarHBondContact O-N 2.8Å; A150-V157 VanDerWaalsContact O-N 3.15Å; L152-V157 HydrophobicContact CB-CG1 4.38Å; H155-V157 PolarHBondContact O-N 3.49Å; V157-S160 PolarHBondContact O-N 2.98Å; V157-F162 HydrophobicContact CG2-CE2 4.36Å |
| 158 | R | 75.6 | Confident | 72.5 | Confident | 95 Ų | 95 | 40.3 Ų | 40.3 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 141 | 168.5 | 154.8 | -177.9 | -69.7 | -128.9 | 5.5 | 110.6 | S160 F162 M881 | R158-S160 PolarHBondContact O-N 2.95Å; R158-S160 VanDerWaalsContact O-N 3.1Å; R158-F162 VanDerWaalsContact O-CZ 3.27Å; R158-F162 WeakPolarHBondContact O-CZ 3.49Å; R158-M881 VanDerWaalsContact CZ-O 3.27Å; R158-M881 PolarHBondContact NE-O 2.86Å; R158-M881 VanDerWaalsContact NH2-C 3.28Å; R158-M881 PolarHBondContact NH2-O 2.76Å |
| 159 | D | 73.5 | Confident | 72.2 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 7.5 | 176.3 | -63.3 | -65.6 | 0 | 0 | 0 | 117.5 | P161 F162 T879 | D159-P161 CarbonylContact O-C 3.58Å; D159-P161 VanDerWaalsContact O-C 3.26Å; D159-F162 HydrophobicContact CB-CD1 4.27Å; D159-F162 HydrophobicContact CB-CE1 3.46Å; D159-F162 VanDerWaalsContact CB-CE1 3.46Å; D159-F162 HydrophobicContact CB-CZ 3.77Å; D159-T879 WeakPolarHBondContact OD1-CA 3.36Å; D159-T879 VanDerWaalsContact OD1-CB 3.24Å; D159-T879 WeakPolarHBondContact OD1-CB 3.36Å; D159-T879 PolarHBondContact OD1-N 3.33Å |
| 160 | S | 72.4 | Confident | 72.3 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 127.4 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 113.6 | S149 A150 V157 R158 | S149-S160 WeakPolarHBondContact CA-OG 3.35Å; A150-S160 PolarHBondContact N-OG 2.87Å; V157-S160 PolarHBondContact O-N 2.98Å; R158-S160 PolarHBondContact O-N 2.95Å; R158-S160 VanDerWaalsContact O-N 3.1Å |
| 161 | P | 69.3 | Low | 72 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 34% | 0.338 | 25% | 0.25 | S | S | . | . | S | Bend | cis | -88.4 | 144.4 | 7.6 | 34.6 | -34.9 | 0 | 0 | 0 | 115.1 | L148 D159 | L148-P161 CarbonylContact O-C 3.58Å; L148-P161 WeakPolarHBondContact O-CA 3.32Å; L148-P161 WeakPolarHBondContact O-CB 3.22Å; D159-P161 CarbonylContact O-C 3.58Å; D159-P161 VanDerWaalsContact O-C 3.26Å |
| 162 | F | 72 | Confident | 72.1 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 142.3 | 171.2 | -55 | -90.4 | 0 | 0 | 0 | 109.2 | V78 E147 L148 V157 R158 D159 | V78-F162 HydrophobicContact CB-CD2 4.32Å; V78-F162 HydrophobicContact CB-CE1 3.9Å; V78-F162 HydrophobicContact CB-CE2 3.71Å; V78-F162 HydrophobicContact CB-CZ 3.48Å; V78-F162 VanDerWaalsContact CB-CZ 3.48Å; V78-F162 HydrophobicContact CG1-CD2 4.14Å; V78-F162 HydrophobicContact CG1-CE1 4.47Å; V78-F162 HydrophobicContact CG1-CE2 4.01Å; V78-F162 HydrophobicContact CG1-CG 4.47Å; V78-F162 HydrophobicContact CG1-CZ 4.18Å; V78-F162 HydrophobicContact CG2-CD2 4.5Å; V78-F162 HydrophobicContact CG2-CE2 3.59Å; V78-F162 HydrophobicContact CG2-CZ 3.61Å; E147-F162 CarbonylContact C-O 3.56Å; E147-F162 WeakPolarHBondContact CA-O 3.42Å; L148-F162 PolarHBondContact N-O 3.05Å; L148-F162 PolarHBondContact O-N 3.24Å; V157-F162 HydrophobicContact CG2-CE2 4.36Å; R158-F162 VanDerWaalsContact O-CZ 3.27Å; R158-F162 WeakPolarHBondContact O-CZ 3.49Å; D159-F162 HydrophobicContact CB-CD1 4.27Å; D159-F162 HydrophobicContact CB-CE1 3.46Å; D159-F162 VanDerWaalsContact CB-CE1 3.46Å; D159-F162 HydrophobicContact CB-CZ 3.77Å |
| 163 | T | 69.6 | Low | 72.1 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.4 | -178.1 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | R145 Y146 E147 | R145-T163 PolarHBondContact NE-OG1 2.93Å; R145-T163 PolarHBondContact NH2-OG1 3.15Å; Y146-T163 CarbonylContact O-C 3.47Å; Y146-T163 VanDerWaalsContact O-CA 3.27Å; Y146-T163 WeakPolarHBondContact O-CA 3.22Å; E147-T163 HydrophobicContact CB-CG2 4.37Å; E147-T163 HydrophobicContact CG-CG2 3.81Å |
| 164 | M | 72.1 | Confident | 72.6 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.4 | -175.2 | 179.1 | -159.8 | 75.9 | 0 | 0 | 109.6 | P81 E82 A84 V90 F92 F138 R145 Y146 V166 | P81-M164 HydrophobicContact CG-SD 4.2Å; P81-M164 WeakPolarHBondContact O-CG 3.38Å; E82-M164 VanDerWaalsContact C-CG 3.5Å; E82-M164 CarbonylContact O-C 3.52Å; E82-M164 VanDerWaalsContact O-CA 3.23Å; E82-M164 WeakPolarHBondContact O-CA 3.41Å; E82-M164 VanDerWaalsContact O-CG 3.24Å; E82-M164 WeakPolarHBondContact O-CG 3.32Å; A84-M164 HydrophobicContact CB-CE 4.1Å; A84-M164 HydrophobicContact CB-SD 3.98Å; V90-M164 HydrophobicContact CB-SD 4.49Å; V90-M164 HydrophobicContact CG1-CE 4.16Å; V90-M164 HydrophobicContact CG1-SD 3.56Å; V90-M164 VanDerWaalsContact CG1-SD 3.56Å; V90-M164 HydrophobicContact CG2-CE 4.01Å; V90-M164 HydrophobicContact CG2-SD 4.07Å; F92-M164 HydrophobicContact CE2-SD 4.48Å; F92-M164 HydrophobicContact CZ-SD 4.48Å; F138-M164 HydrophobicContact CE2-CE 4.32Å; F138-M164 HydrophobicContact CZ-CE 3.88Å; R145-M164 WeakPolarHBondContact CA-O 3.41Å; Y146-M164 HydrophobicContact CG-CE 4.47Å; Y146-M164 PolarHBondContact N-O 2.93Å; Y146-M164 PolarHBondContact O-N 3.08Å; M164-V166 HydrophobicContact CE-CB 4.32Å; M164-V166 HydrophobicContact CE-CG2 3.91Å |
| 165 | E | 70.1 | Confident | 73 | Confident | 86 Ų | 86 | 48 Ų | 48 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125 | 175.4 | -173.7 | 152.1 | -124.1 | 0 | 0 | 111.6 | E82 S83 A84 V167 G196 | E82-E165 PolarHBondContact O-N 2.83Å; S83-E165 CarbonylContact C-O 3.52Å; S83-E165 WeakPolarHBondContact CA-O 3.42Å; S83-E165 WeakPolarHBondContact CB-O 3.32Å; A84-E165 PolarHBondContact N-O 2.86Å; E165-V167 HydrophobicContact CG-CG1 4.38Å; E165-G196 VanDerWaalsContact OE2-CA 3.3Å; E165-G196 WeakPolarHBondContact OE2-CA 3.25Å |
| 166 | V | 72.2 | Confident | 73.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128 | 174.4 | 150.6 | 0 | 0 | 0 | 0 | 111.6 | A84 L86 P140 D143 G144 Y146 M164 | A84-V166 HydrophobicContact CB-CB 4.45Å; A84-V166 CarbonylContact O-C 3.6Å; A84-V166 WeakPolarHBondContact O-CA 3.47Å; A84-V166 WeakPolarHBondContact O-CB 3.47Å; L86-V166 HydrophobicContact CB-CG1 4.44Å; P140-V166 HydrophobicContact CB-CB 4.26Å; P140-V166 HydrophobicContact CB-CG1 3.9Å; P140-V166 HydrophobicContact CB-CG2 3.78Å; P140-V166 HydrophobicContact CG-CB 4.19Å; P140-V166 HydrophobicContact CG-CG1 3.8Å; P140-V166 HydrophobicContact CG-CG2 4.21Å; D143-V166 CarbonylContact C-O 3.59Å; D143-V166 VanDerWaalsContact CA-O 3.28Å; D143-V166 WeakPolarHBondContact CA-O 3.08Å; G144-V166 PolarHBondContact N-O 3.09Å; G144-V166 WeakPolarHBondContact O-CG2 3.49Å; G144-V166 PolarHBondContact O-N 2.84Å; Y146-V166 HydrophobicContact CD1-CG2 4.46Å; Y146-V166 HydrophobicContact CD2-CG2 3.2Å; Y146-V166 HydrophobicContact CE1-CG2 4.47Å; Y146-V166 HydrophobicContact CE2-CG2 3.22Å; Y146-V166 HydrophobicContact CG-CG2 3.91Å; M164-V166 HydrophobicContact CE-CB 4.32Å; M164-V166 HydrophobicContact CE-CG2 3.91Å |
| 167 | V | 70.1 | Confident | 73 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 160.9 | -172.7 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | A84 V85 L86 E165 N195 V197 | A84-V167 PolarHBondContact O-N 3.12Å; V85-V167 CarbonylContact C-O 3.52Å; V85-V167 WeakPolarHBondContact CA-O 3.33Å; V85-V167 HydrophobicContact CG2-CG2 4.1Å; L86-V167 PolarHBondContact N-O 3.08Å; E165-V167 HydrophobicContact CG-CG1 4.38Å; V167-N195 WeakPolarHBondContact CG1-O 3.47Å; V167-V197 HydrophobicContact CB-CG2 4.06Å; V167-V197 HydrophobicContact CG1-CG2 3.76Å; V167-V197 HydrophobicContact CG2-CG2 3.74Å |
| 168 | S | 75.9 | Confident | 73.1 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | trans | -96.7 | 136 | 167.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | S170 S171 | S168-S170 PolarHBondContact O-N 3.4Å; S168-S170 VanDerWaalsContact O-N 3.11Å; S168-S170 PolarHBondContact OG-N 3.34Å; S168-S170 VanDerWaalsContact OG-N 3.15Å; S168-S170 PolarHBondContact OG-OG 2.86Å; S168-S171 PolarHBondContact N-OG 3.46Å; S168-S171 PolarHBondContact O-N 3.47Å; S168-S171 PolarHBondContact O-OG 2.92Å | ||
| 169 | A | 70 | Confident | 73.4 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V85 Q248 I250 | V85-A169 HydrophobicContact CG2-CB 4.21Å; A169-Q248 HydrophobicContact CB-CB 4.19Å; A169-I250 WeakPolarHBondContact O-CB 3.43Å; A169-I250 WeakPolarHBondContact O-CG2 3.48Å |
| 170 | S | 70.3 | Confident | 73.8 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 46% | 0.462 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12.6 | 174.1 | 67.8 | 0 | 0 | 0 | 0 | 115.2 | S168 N251 | S168-S170 PolarHBondContact O-N 3.4Å; S168-S170 VanDerWaalsContact O-N 3.11Å; S168-S170 PolarHBondContact OG-N 3.34Å; S168-S170 VanDerWaalsContact OG-N 3.15Å; S168-S170 PolarHBondContact OG-OG 2.86Å; S170-N251 WeakPolarHBondContact CB-ND2 3.38Å |
| 171 | S | 69.7 | Low | 74.1 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 46% | 0.462 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -17.6 | 174 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | S168 | S168-S171 PolarHBondContact N-OG 3.46Å; S168-S171 PolarHBondContact O-N 3.47Å; S168-S171 PolarHBondContact O-OG 2.92Å |
| 172 | V | 73.3 | Confident | 74.9 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | trans | -69.8 | 131.1 | 173.9 | 177.1 | 0 | 0 | 0 | 0 | 110 | I192 V193 A194 V245 I250 | V172-I192 HydrophobicContact CG1-CG2 3.9Å; V172-V193 WeakPolarHBondContact CA-O 3.37Å; V172-A194 HydrophobicContact CB-CB 4.5Å; V172-A194 HydrophobicContact CG1-CB 3.91Å; V172-A194 HydrophobicContact CG2-CB 3.97Å; V172-V245 HydrophobicContact CG1-CG2 4.18Å; V172-V245 HydrophobicContact CG2-CG1 4.4Å; V172-V245 HydrophobicContact CG2-CG2 4.15Å; V172-I250 HydrophobicContact CB-CG2 4.06Å; V172-I250 HydrophobicContact CG1-CD1 4.36Å; V172-I250 HydrophobicContact CG1-CG2 4.03Å | ||
| 173 | K | 78.2 | Confident | 75.6 | Confident | 116 Ų | 116 | 35.1 Ų | 35.1 | 50% | 0.504 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.9 | -176.2 | -67.2 | -172.9 | 176.5 | -169 | 0 | 111.5 | F175 I192 V193 | K173-F175 HydrophobicContact CB-CD1 4.43Å; K173-F175 HydrophobicContact CB-CE1 4.48Å; K173-I192 CarbonylContact O-C 3.58Å; K173-I192 WeakPolarHBondContact O-CA 3.41Å; K173-V193 PolarHBondContact N-O 3.46Å; K173-V193 PolarHBondContact O-N 2.8Å |
| 174 | V | 83.4 | Confident | 76.5 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.7 | 171.9 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | L179 F190 R191 I192 V243 I250 F255 | V174-L179 HydrophobicContact CB-CD2 3.92Å; V174-L179 HydrophobicContact CG2-CD1 4.43Å; V174-L179 HydrophobicContact CG2-CD2 3.54Å; V174-F190 HydrophobicContact CB-CD2 4.48Å; V174-F190 HydrophobicContact CG1-CE2 4.31Å; V174-R191 VanDerWaalsContact CA-O 3.27Å; V174-R191 WeakPolarHBondContact CA-O 3.33Å; V174-I192 HydrophobicContact CG1-CB 4.1Å; V174-I192 HydrophobicContact CG1-CD1 4.38Å; V174-I192 HydrophobicContact CG1-CG1 3.87Å; V174-I192 HydrophobicContact CG1-CG2 3.82Å; V174-V243 HydrophobicContact CG1-CG1 4.09Å; V174-V243 HydrophobicContact CG1-CG2 4.38Å; V174-I250 HydrophobicContact CB-CD1 4.33Å; V174-I250 HydrophobicContact CG1-CD1 3.61Å; V174-I250 HydrophobicContact CG2-CD1 3.77Å; V174-F255 HydrophobicContact CG2-CD2 4.4Å; V174-F255 HydrophobicContact CG2-CE1 3.88Å; V174-F255 HydrophobicContact CG2-CE2 3.57Å; V174-F255 HydrophobicContact CG2-CZ 3.26Å |
| 175 | F | 76.6 | Confident | 77.1 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 156.6 | -175.9 | 48.7 | -95.4 | 0 | 0 | 0 | 112.4 | K173 R191 V193 P657 | K173-F175 HydrophobicContact CB-CD1 4.43Å; K173-F175 HydrophobicContact CB-CE1 4.48Å; F175-R191 HydrophobicContact CD2-CB 3.95Å; F175-R191 HydrophobicContact CE2-CB 3.6Å; F175-R191 HydrophobicContact CE2-CG 4.35Å; F175-R191 HydrophobicContact CZ-CB 4.07Å; F175-R191 PolarHBondContact N-O 3.28Å; F175-R191 PolarHBondContact O-N 2.93Å; F175-V193 HydrophobicContact CE1-CB 4.14Å; F175-V193 HydrophobicContact CE1-CG2 3.57Å; F175-V193 HydrophobicContact CZ-CG2 3.47Å; F175-V193 VanDerWaalsContact CZ-CG2 3.47Å; F175-P657 HydrophobicContact CD2-CG 3.73Å; F175-P657 HydrophobicContact CE2-CG 3.52Å; F175-P657 HydrophobicContact CZ-CG 4.15Å |
| 176 | G | 71.8 | Confident | 77.8 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 117.1 | 154.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G178 L179 | G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 2.86Å; G176-L179 WeakPolarHBondContact O-CB 3.21Å; G176-L179 PolarHBondContact O-N 3.12Å; G176-L179 VanDerWaalsContact O-N 3.16Å |
| 177 | A | 67.1 | Low | 78.6 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -56 | -40.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L179 H180 S181 | A177-L179 PolarHBondContact O-N 2.82Å; A177-H180 PolarHBondContact O-N 2.8Å; A177-S181 CarbonylContact C-O 3.59Å; A177-S181 PolarHBondContact O-N 2.77Å; A177-S181 PolarHBondContact O-OG 2.84Å |
| 178 | G | 80.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.8 | 0.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G176 S181 V189 W231 | G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 2.86Å; G178-S181 WeakPolarHBondContact CA-O 3.49Å; G178-V189 VanDerWaalsContact CA-O 3.3Å; G178-V189 WeakPolarHBondContact CA-O 3.14Å; G178-V189 PolarHBondContact N-O 2.88Å; G178-W231 PolarHBondContact O-NE1 3.24Å; G178-W231 VanDerWaalsContact O-NE1 3.1Å |
| 179 | L | 83.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -88 | -28.1 | 170 | -170.2 | 68.1 | 0 | 0 | 0 | 112.5 | V174 G176 A177 F190 I241 F255 C257 | V174-L179 HydrophobicContact CB-CD2 3.92Å; V174-L179 HydrophobicContact CG2-CD1 4.43Å; V174-L179 HydrophobicContact CG2-CD2 3.54Å; G176-L179 WeakPolarHBondContact O-CB 3.21Å; G176-L179 PolarHBondContact O-N 3.12Å; G176-L179 VanDerWaalsContact O-N 3.16Å; A177-L179 PolarHBondContact O-N 2.82Å; L179-F190 HydrophobicContact CB-CB 3.98Å; L179-F190 HydrophobicContact CB-CD1 4.33Å; L179-F190 HydrophobicContact CB-CG 4.06Å; L179-F190 HydrophobicContact CD1-CD1 4.29Å; L179-F190 HydrophobicContact CD1-CD2 4.01Å; L179-F190 HydrophobicContact CD1-CE1 4.18Å; L179-F190 HydrophobicContact CD1-CE2 3.89Å; L179-F190 HydrophobicContact CD1-CG 4.2Å; L179-F190 HydrophobicContact CD1-CZ 3.97Å; L179-I241 HydrophobicContact CD1-CD1 4.46Å; L179-I241 HydrophobicContact CD1-CG2 4.23Å; L179-F255 HydrophobicContact CD1-CB 3.96Å; L179-F255 HydrophobicContact CD1-CD1 4.46Å; L179-F255 HydrophobicContact CD1-CD2 3.89Å; L179-F255 HydrophobicContact CD1-CG 3.85Å; L179-F255 HydrophobicContact CD2-CD1 3.86Å; L179-F255 HydrophobicContact CD2-CE1 4.1Å; L179-F255 HydrophobicContact CD2-CG 4.1Å; L179-F255 HydrophobicContact CG-CB 4.05Å; L179-F255 HydrophobicContact CG-CD1 4.16Å; L179-F255 HydrophobicContact CG-CD2 4.46Å; L179-F255 HydrophobicContact CG-CG 3.97Å; L179-C257 VanDerWaalsContact O-CB 3.3Å; L179-C257 WeakPolarHBondContact O-CB 3.49Å |
| 180 | H | 81.1 | Confident | 80.8 | Confident | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -22.5 | -173.4 | -56.1 | 109.1 | 0 | 0 | 0 | 113.8 | A177 C257 N258 | A177-H180 PolarHBondContact O-N 2.8Å; H180-C257 VanDerWaalsContact C-SG 3.55Å; H180-N258 PolarHBondContact O-N 2.82Å |
| 181 | S | 79.3 | Confident | 81.7 | Confident | 31 Ų | 31 | 44 Ų | 44 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.8 | 179 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | A177 G178 C257 N258 | A177-S181 CarbonylContact C-O 3.59Å; A177-S181 PolarHBondContact O-N 2.77Å; A177-S181 PolarHBondContact O-OG 2.84Å; G178-S181 WeakPolarHBondContact CA-O 3.49Å; S181-C257 PolarHBondContact N-SG 2.82Å; S181-C257 VanDerWaalsContact N-SG 3.41Å; S181-N258 WeakPolarHBondContact CA-O 3.23Å |
| 182 | A | 85.6 | Confident | 82.7 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A188 W231 P233 N258 V259 G260 N359 | A182-A188 HydrophobicContact CB-CB 3.64Å; A182-W231 HydrophobicContact CB-CZ2 4.25Å; A182-P233 HydrophobicContact CB-CG 3.7Å; A182-N258 PolarHBondContact N-O 2.88Å; A182-N258 VanDerWaalsContact N-O 3.14Å; A182-V259 HydrophobicContact CB-CG2 4.28Å; A182-V259 WeakPolarHBondContact O-CA 3.27Å; A182-G260 PolarHBondContact O-N 2.82Å; A182-N359 PolarHBondContact O-ND2 3.34Å |
| 183 | S | 86.1 | Confident | 83.2 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.3 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 112 | D185 H186 P233 G260 N359 L361 | S183-D185 PolarHBondContact O-N 3.16Å; S183-H186 PolarHBondContact O-N 3.18Å; S183-H186 VanDerWaalsContact O-N 3.1Å; S183-P233 WeakPolarHBondContact O-CG 3.06Å; S183-G260 CarbonylContact C-O 3.4Å; S183-G260 WeakPolarHBondContact CA-O 3.08Å; S183-N359 WeakPolarHBondContact OG-CB 3.45Å; S183-L361 VanDerWaalsContact CB-CD1 3.43Å |
| 184 | V | 88.5 | Confident | 83.3 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 133.9 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 110 | H186 A236 V259 G260 D261 | V184-H186 PolarHBondContact O-CD2 3.16Å; V184-H186 PolarHBondContact O-N 3.35Å; V184-A236 HydrophobicContact CG2-CB 3.92Å; V184-V259 HydrophobicContact CG2-CG1 3.94Å; V184-G260 PolarHBondContact N-O 3.27Å; V184-D261 HydrophobicContact CB-CB 4.26Å; V184-D261 HydrophobicContact CG2-CB 3.91Å |
| 185 | D | 85.7 | Confident | 82.7 | Confident | 94 Ų | 94 | 39.9 Ų | 39.9 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 12.6 | -177.6 | -92.3 | -44.7 | 0 | 0 | 0 | 116.9 | S183 K232 P233 | S183-D185 PolarHBondContact O-N 3.16Å; D185-K232 WeakPolarHBondContact O-CE 3.43Å; D185-K232 PolarHBondContact O-NZ 2.71Å; D185-K232 IonicContact OD1-NZ 2.8Å; D185-K232 PolarHBondContact OD1-NZ 2.89Å; D185-P233 PolarHBondContact N-O 2.73Å |
| 186 | H | 84.8 | Confident | 82.3 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -104.8 | 158.9 | 168.6 | -77.6 | -101.8 | 0 | 0 | 0 | 112.5 | S183 V184 A188 K232 P233 L361 | S183-H186 PolarHBondContact O-N 3.18Å; S183-H186 VanDerWaalsContact O-N 3.1Å; V184-H186 PolarHBondContact O-CD2 3.16Å; V184-H186 PolarHBondContact O-N 3.35Å; H186-A188 PolarHBondContact O-N 3.05Å; H186-K232 WeakPolarHBondContact O-CG 3.39Å; H186-P233 WeakPolarHBondContact O-CD 3.12Å; H186-L361 HydrophobicContact CB-CD1 4.07Å; H186-L361 VanDerWaalsContact CD2-CD1 3.44Å; H186-L361 WeakPolarHBondContact CD2-CD1 3.48Å; H186-L361 VanDerWaalsContact CG-CD1 3.42Å |
| 187 | L | 88.2 | Confident | 82.4 | Confident | 98 Ų | 98 | 37.1 Ų | 37.1 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | trans | -81.5 | 105.5 | -178.5 | -169.5 | 74.1 | 0 | 0 | 0 | 110.2 | V189 E230 W231 | L187-V189 HydrophobicContact CD2-CG2 4.21Å; L187-V189 HydrophobicContact CG-CG2 4.16Å; L187-E230 HydrophobicContact CD1-CB 4.25Å; L187-E230 HydrophobicContact CD2-CG 4.37Å; L187-W231 CarbonylContact C-O 3.6Å | ||
| 188 | A | 86.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A182 H186 W231 P233 | A182-A188 HydrophobicContact CB-CB 3.64Å; H186-A188 PolarHBondContact O-N 3.05Å; A188-W231 HydrophobicContact CB-CD2 3.91Å; A188-W231 HydrophobicContact CB-CG 3.99Å; A188-W231 HydrophobicContact CB-CZ2 4.1Å; A188-W231 PolarHBondContact N-O 2.92Å; A188-W231 PolarHBondContact O-N 2.86Å; A188-P233 HydrophobicContact CB-CG 4.5Å |
| 189 | V | 87.8 | Confident | 82.5 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.4 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | G178 L187 R228 A229 | G178-V189 VanDerWaalsContact CA-O 3.3Å; G178-V189 WeakPolarHBondContact CA-O 3.14Å; G178-V189 PolarHBondContact N-O 2.88Å; L187-V189 HydrophobicContact CD2-CG2 4.21Å; L187-V189 HydrophobicContact CG-CG2 4.16Å; V189-R228 HydrophobicContact CG1-CG 3.66Å; V189-A229 WeakPolarHBondContact CA-O 3.46Å |
| 190 | F | 89.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 169.3 | 164.7 | 66.9 | -91.2 | 0 | 0 | 0 | 110.6 | V174 L179 I192 V204 A229 I241 V243 | V174-F190 HydrophobicContact CB-CD2 4.48Å; V174-F190 HydrophobicContact CG1-CE2 4.31Å; L179-F190 HydrophobicContact CB-CB 3.98Å; L179-F190 HydrophobicContact CB-CD1 4.33Å; L179-F190 HydrophobicContact CB-CG 4.06Å; L179-F190 HydrophobicContact CD1-CD1 4.29Å; L179-F190 HydrophobicContact CD1-CD2 4.01Å; L179-F190 HydrophobicContact CD1-CE1 4.18Å; L179-F190 HydrophobicContact CD1-CE2 3.89Å; L179-F190 HydrophobicContact CD1-CG 4.2Å; L179-F190 HydrophobicContact CD1-CZ 3.97Å; F190-I192 HydrophobicContact CD2-CG1 4.2Å; F190-I192 HydrophobicContact CE2-CD1 3.97Å; F190-I192 HydrophobicContact CE2-CG1 3.87Å; F190-V204 HydrophobicContact CE1-CG1 4.36Å; F190-V204 HydrophobicContact CZ-CG1 3.74Å; F190-V204 HydrophobicContact CZ-CG2 4.35Å; F190-A229 HydrophobicContact CD1-CB 4.1Å; F190-A229 HydrophobicContact CD2-CB 4.05Å; F190-A229 HydrophobicContact CE1-CB 3.84Å; F190-A229 HydrophobicContact CE2-CB 3.79Å; F190-A229 HydrophobicContact CG-CB 4.21Å; F190-A229 HydrophobicContact CZ-CB 3.69Å; F190-A229 PolarHBondContact N-O 2.83Å; F190-A229 VanDerWaalsContact N-O 3.17Å; F190-A229 PolarHBondContact O-N 3.02Å; F190-I241 HydrophobicContact CE1-CD1 4.27Å; F190-I241 HydrophobicContact CE1-CG2 4.07Å; F190-I241 HydrophobicContact CZ-CG2 3.89Å; F190-V243 HydrophobicContact CE2-CG2 4.15Å; F190-V243 HydrophobicContact CZ-CG2 4.15Å |
| 191 | R | 88.6 | Confident | 82.3 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 25% | 0.249 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.6 | 179.6 | -73.7 | 175.9 | 171.2 | 111.1 | 8.4 | 110.9 | V174 F175 E221 Y227 | V174-R191 VanDerWaalsContact CA-O 3.27Å; V174-R191 WeakPolarHBondContact CA-O 3.33Å; F175-R191 HydrophobicContact CD2-CB 3.95Å; F175-R191 HydrophobicContact CE2-CB 3.6Å; F175-R191 HydrophobicContact CE2-CG 4.35Å; F175-R191 HydrophobicContact CZ-CB 4.07Å; F175-R191 PolarHBondContact N-O 3.28Å; F175-R191 PolarHBondContact O-N 2.93Å; R191-E221 IonicContact CZ-OE1 3.38Å; R191-E221 IonicContact CZ-OE2 3.69Å; R191-E221 IonicContact NE-OE1 2.9Å; R191-E221 PolarHBondContact NE-OE1 2.87Å; R191-E221 IonicContact NE-OE2 3.22Å; R191-E221 PolarHBondContact NE-OE2 3.13Å; R191-E221 IonicContact NH2-OE1 3.95Å; R191-E221 PolarHBondContact NH2-OE1 2.86Å; R191-E221 IonicContact NH2-OE2 2.72Å; R191-E221 PolarHBondContact NH2-OE2 2.76Å; R191-Y227 CarbonylContact C-O 3.58Å; R191-Y227 WeakPolarHBondContact CA-O 3.44Å |
| 192 | I | 89.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.3 | 174.6 | -42.5 | -168.7 | 0 | 0 | 0 | 106.3 | V172 K173 V174 F190 I202 V204 L218 T226 Y227 A229 V243 | V172-I192 HydrophobicContact CG1-CG2 3.9Å; K173-I192 CarbonylContact O-C 3.58Å; K173-I192 WeakPolarHBondContact O-CA 3.41Å; V174-I192 HydrophobicContact CG1-CB 4.1Å; V174-I192 HydrophobicContact CG1-CD1 4.38Å; V174-I192 HydrophobicContact CG1-CG1 3.87Å; V174-I192 HydrophobicContact CG1-CG2 3.82Å; F190-I192 HydrophobicContact CD2-CG1 4.2Å; F190-I192 HydrophobicContact CE2-CD1 3.97Å; F190-I192 HydrophobicContact CE2-CG1 3.87Å; I192-I202 HydrophobicContact CD1-CG2 3.92Å; I192-I202 HydrophobicContact CG2-CD1 4.36Å; I192-V204 HydrophobicContact CD1-CG2 3.55Å; I192-L218 HydrophobicContact CD1-CD2 3.69Å; I192-L218 HydrophobicContact CG1-CD2 4.47Å; I192-T226 CarbonylContact O-C 3.58Å; I192-T226 WeakPolarHBondContact O-CA 3.11Å; I192-Y227 PolarHBondContact N-O 3.05Å; I192-Y227 PolarHBondContact O-N 3.01Å; I192-A229 HydrophobicContact CD1-CB 4.41Å; I192-V243 HydrophobicContact CD1-CG1 4.01Å |
| 193 | V | 85.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.7 | 172.3 | 170.1 | 0 | 0 | 0 | 0 | 107.9 | V172 K173 F175 N195 T226 | V172-V193 WeakPolarHBondContact CA-O 3.37Å; K173-V193 PolarHBondContact N-O 3.46Å; K173-V193 PolarHBondContact O-N 2.8Å; F175-V193 HydrophobicContact CE1-CB 4.14Å; F175-V193 HydrophobicContact CE1-CG2 3.57Å; F175-V193 HydrophobicContact CZ-CG2 3.47Å; F175-V193 VanDerWaalsContact CZ-CG2 3.47Å; V193-N195 WeakPolarHBondContact CG1-OD1 3.49Å; V193-T226 HydrophobicContact CG2-CG2 4.08Å |
| 194 | A | 79.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | trans | -145 | 80.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | V172 G196 V197 I202 G225 | V172-A194 HydrophobicContact CB-CB 4.5Å; V172-A194 HydrophobicContact CG1-CB 3.91Å; V172-A194 HydrophobicContact CG2-CB 3.97Å; A194-G196 PolarHBondContact O-N 2.85Å; A194-V197 HydrophobicContact CB-CB 3.5Å; A194-V197 HydrophobicContact CB-CG1 3.69Å; A194-V197 HydrophobicContact CB-CG2 3.91Å; A194-V197 VanDerWaalsContact O-CB 3.26Å; A194-V197 WeakPolarHBondContact O-CB 3.38Å; A194-V197 PolarHBondContact O-N 3.38Å; A194-I202 HydrophobicContact CB-CD1 4.12Å; A194-G225 CarbonylContact C-O 3.49Å; A194-G225 PolarHBondContact N-O 3.49Å; A194-G225 WeakPolarHBondContact O-CA 3.4Å | ||
| 195 | N | 70.9 | Confident | 83.4 | Confident | 92 Ų | 92 | 39.9 Ų | 39.9 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 130.6 | 178 | -56.2 | 72.7 | 0 | 0 | 0 | 110.2 | V167 V193 E224 | V167-N195 WeakPolarHBondContact CG1-O 3.47Å; V193-N195 WeakPolarHBondContact CG1-OD1 3.49Å; N195-E224 WeakPolarHBondContact CA-O 3.26Å; N195-E224 PolarHBondContact ND2-O 2.95Å |
| 196 | G | 68.9 | Low | 83.7 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 14.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S83 E165 A194 | S83-G196 WeakPolarHBondContact CB-O 3.32Å; S83-G196 PolarHBondContact OG-O 3.34Å; E165-G196 VanDerWaalsContact OE2-CA 3.3Å; E165-G196 WeakPolarHBondContact OE2-CA 3.25Å; A194-G196 PolarHBondContact O-N 2.85Å |
| 197 | V | 73.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | trans | -135.9 | 103.2 | -166.9 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | V167 A194 I202 Y227 V245 Y873 | V167-V197 HydrophobicContact CB-CG2 4.06Å; V167-V197 HydrophobicContact CG1-CG2 3.76Å; V167-V197 HydrophobicContact CG2-CG2 3.74Å; A194-V197 HydrophobicContact CB-CB 3.5Å; A194-V197 HydrophobicContact CB-CG1 3.69Å; A194-V197 HydrophobicContact CB-CG2 3.91Å; A194-V197 VanDerWaalsContact O-CB 3.26Å; A194-V197 WeakPolarHBondContact O-CB 3.38Å; A194-V197 PolarHBondContact O-N 3.38Å; V197-I202 HydrophobicContact CG1-CD1 4.14Å; V197-I202 HydrophobicContact CG1-CG1 3.85Å; V197-Y227 WeakPolarHBondContact O-CE2 3.41Å; V197-Y227 PolarHBondContact O-OH 3.22Å; V197-Y227 VanDerWaalsContact O-OH 3.13Å; V197-V245 HydrophobicContact CG1-CG1 4.14Å; V197-V245 HydrophobicContact CG1-CG2 4.28Å; V197-Y873 HydrophobicContact CB-CE2 4.24Å; V197-Y873 HydrophobicContact CG1-CD1 4.41Å; V197-Y873 HydrophobicContact CG1-CD2 4.24Å; V197-Y873 HydrophobicContact CG1-CE1 3.58Å; V197-Y873 HydrophobicContact CG1-CE2 3.37Å; V197-Y873 WeakPolarHBondContact CG1-OH 3.29Å | ||
| 198 | E | 73.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 28.2 Ų | 28.2 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | trans | -71.7 | -165.7 | -174 | -148.6 | -127.2 | -106.7 | 0 | 0 | 112.5 | R200 Y227 Y873 G874 | E198-R200 IonicContact OE1-CZ 2.73Å; E198-R200 IonicContact OE1-NE 3.32Å; E198-R200 PolarHBondContact OE1-NE 3.02Å; E198-R200 IonicContact OE1-NH2 2.68Å; E198-R200 PolarHBondContact OE1-NH2 3.05Å; E198-R200 WeakPolarHBondContact OE2-CG 3.2Å; E198-R200 IonicContact OE2-NE 3.18Å; E198-R200 PolarHBondContact OE2-NE 2.77Å; E198-Y227 WeakPolarHBondContact CA-OH 3.24Å; E198-Y873 VanDerWaalsContact CA-CD1 3.45Å; E198-Y873 HydrophobicContact CB-CD1 3.64Å; E198-Y873 HydrophobicContact CB-CG 4.07Å; E198-Y873 WeakPolarHBondContact O-CD1 3.34Å; E198-Y873 WeakPolarHBondContact O-CE1 3.29Å; E198-G874 PolarHBondContact OE1-N 2.82Å | ||
| 199 | S | 77.7 | Confident | 83.9 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -82.4 | -27.9 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 200 | R | 80 | Confident | 83.8 | Confident | 102 Ų | 102 | 31.9 Ų | 31.9 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -84.2 | -27.2 | -159.1 | -1.4 | -175.9 | -165.2 | 123.8 | -8.3 | 115.4 | E198 I871 D872 Y873 G874 | E198-R200 IonicContact OE1-CZ 2.73Å; E198-R200 IonicContact OE1-NE 3.32Å; E198-R200 PolarHBondContact OE1-NE 3.02Å; E198-R200 IonicContact OE1-NH2 2.68Å; E198-R200 PolarHBondContact OE1-NH2 3.05Å; E198-R200 WeakPolarHBondContact OE2-CG 3.2Å; E198-R200 IonicContact OE2-NE 3.18Å; E198-R200 PolarHBondContact OE2-NE 2.77Å; R200-I871 VanDerWaalsContact NH1-CG2 3.31Å; R200-D872 WeakPolarHBondContact CB-O 3.35Å; R200-D872 WeakPolarHBondContact CD-O 3.35Å; R200-D872 WeakPolarHBondContact CG-O 3.34Å; R200-D872 PolarHBondContact NE-O 2.74Å; R200-D872 PolarHBondContact NH1-O 2.74Å; R200-Y873 VanDerWaalsContact CZ-C 3.48Å; R200-Y873 PolarHBondContact NH1-O 2.66Å; R200-G874 PolarHBondContact NH1-O 2.79Å; R200-G874 VanDerWaalsContact NH2-N 3.15Å; R200-G874 PolarHBondContact NH2-O 2.91Å |
| 201 | E | 80.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -104 | 0.2 | -178.8 | 175.5 | 165.5 | -142.1 | 0 | 0 | 112.6 | H246 D872 Y873 | E201-H246 VanDerWaalsContact CG-CA 3.5Å; E201-H246 HydrophobicContact CG-CB 4.19Å; E201-H246 PolarHBondContact O-N 2.9Å; E201-H246 IonicContact OE1-CE1 3.2Å; E201-H246 PolarHBondContact OE1-CE1 3.01Å; E201-H246 IonicContact OE1-CG 2.65Å; E201-H246 IonicContact OE1-ND1 2.73Å; E201-H246 PolarHBondContact OE1-ND1 2.88Å; E201-H246 IonicContact OE2-CE1 2.77Å; E201-H246 PolarHBondContact OE2-CE1 2.87Å; E201-H246 IonicContact OE2-ND1 2.75Å; E201-H246 PolarHBondContact OE2-ND1 2.95Å; E201-D872 WeakPolarHBondContact CA-OD1 3.18Å; E201-D872 HydrophobicContact CB-CB 3.66Å; E201-D872 VanDerWaalsContact CB-OD1 3.23Å; E201-D872 WeakPolarHBondContact CB-OD1 3.47Å; E201-D872 VanDerWaalsContact CD-CB 3.41Å; E201-D872 HydrophobicContact CG-CB 3.93Å; E201-D872 WeakPolarHBondContact CG-OD1 3.45Å; E201-Y873 VanDerWaalsContact C-CE1 3.41Å; E201-Y873 VanDerWaalsContact CA-CE1 3.44Å; E201-Y873 HydrophobicContact CB-CD1 3.47Å; E201-Y873 VanDerWaalsContact CB-CD1 3.47Å; E201-Y873 HydrophobicContact CB-CD2 3.83Å; E201-Y873 HydrophobicContact CB-CE1 3.3Å; E201-Y873 HydrophobicContact CB-CE2 3.67Å; E201-Y873 HydrophobicContact CB-CG 3.66Å; E201-Y873 HydrophobicContact CG-CD1 4.42Å; E201-Y873 HydrophobicContact CG-CD2 3.91Å; E201-Y873 HydrophobicContact CG-CE1 4.13Å; E201-Y873 HydrophobicContact CG-CE2 3.58Å; E201-Y873 HydrophobicContact CG-CG 4.24Å; E201-Y873 VanDerWaalsContact N-CE1 3.28Å; E201-Y873 PolarHBondContact O-OH 3.07Å; E201-Y873 WeakPolarHBondContact OE2-CB 3.4Å; E201-Y873 WeakPolarHBondContact OE2-CD2 3.17Å; E201-Y873 VanDerWaalsContact OE2-CG 3.24Å; E201-Y873 PolarHBondContact OE2-N 3.15Å |
| 202 | I | 86.3 | Confident | 83.3 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.9 | 161 | -56.9 | 176.6 | 0 | 0 | 0 | 106.7 | I192 A194 V197 V204 L218 Y227 R244 V245 Y873 | I192-I202 HydrophobicContact CD1-CG2 3.92Å; I192-I202 HydrophobicContact CG2-CD1 4.36Å; A194-I202 HydrophobicContact CB-CD1 4.12Å; V197-I202 HydrophobicContact CG1-CD1 4.14Å; V197-I202 HydrophobicContact CG1-CG1 3.85Å; I202-V204 HydrophobicContact CG2-CG2 4.38Å; I202-L218 HydrophobicContact CB-CD1 3.78Å; I202-L218 HydrophobicContact CG2-CD1 3.79Å; I202-L218 WeakPolarHBondContact O-CD1 3.48Å; I202-Y227 HydrophobicContact CD1-CD2 3.42Å; I202-Y227 VanDerWaalsContact CD1-CD2 3.42Å; I202-Y227 HydrophobicContact CD1-CE2 3.79Å; I202-Y227 HydrophobicContact CD1-CG 4.07Å; I202-R244 CarbonylContact C-O 3.52Å; I202-R244 VanDerWaalsContact CA-O 3.28Å; I202-R244 WeakPolarHBondContact CA-O 3.42Å; I202-V245 HydrophobicContact CG1-CG2 4.15Å; I202-Y873 HydrophobicContact CG1-CE1 3.83Å; I202-Y873 WeakPolarHBondContact CG1-OH 3.44Å; I202-Y873 VanDerWaalsContact N-CE1 3.27Å; I202-Y873 PolarHBondContact N-OH 2.8Å; I202-Y873 VanDerWaalsContact N-OH 3.1Å |
| 203 | T | 88 | Confident | 83.3 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.6 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | R244 | T203-R244 PolarHBondContact N-O 2.82Å; T203-R244 PolarHBondContact O-N 3.23Å |
| 204 | V | 93.8 | Very high | 83.4 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.5 | 169.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | F190 I192 I202 I206 R215 A216 L218 I241 D242 V243 | F190-V204 HydrophobicContact CE1-CG1 4.36Å; F190-V204 HydrophobicContact CZ-CG1 3.74Å; F190-V204 HydrophobicContact CZ-CG2 4.35Å; I192-V204 HydrophobicContact CD1-CG2 3.55Å; I202-V204 HydrophobicContact CG2-CG2 4.38Å; V204-I206 HydrophobicContact CG1-CD1 4.41Å; V204-R215 VanDerWaalsContact O-CA 3.23Å; V204-R215 WeakPolarHBondContact O-CA 3.25Å; V204-A216 HydrophobicContact CB-CB 3.76Å; V204-A216 HydrophobicContact CG1-CB 3.51Å; V204-A216 PolarHBondContact O-N 3.5Å; V204-A216 VanDerWaalsContact O-N 3.11Å; V204-L218 HydrophobicContact CG2-CD2 4.03Å; V204-L218 HydrophobicContact CG2-CG 4.49Å; V204-I241 HydrophobicContact CG1-CG2 3.9Å; V204-D242 CarbonylContact C-O 3.56Å; V204-D242 WeakPolarHBondContact CA-O 3.31Å; V204-V243 HydrophobicContact CG1-CG2 4.43Å; V204-V243 HydrophobicContact CG2-CG1 4.33Å; V204-V243 HydrophobicContact CG2-CG2 4.28Å |
| 205 | T | 92.9 | Very high | 83.9 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.9 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | K213 D242 | T205-K213 HydrophobicContact CG2-CB 4.18Å; T205-K213 HydrophobicContact CG2-CD 4.4Å; T205-D242 PolarHBondContact N-O 2.8Å; T205-D242 PolarHBondContact O-N 2.99Å |
| 206 | I | 93.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.4 | 167.6 | -53.4 | 95.2 | 0 | 0 | 0 | 108.7 | V204 K213 K214 A216 W231 H239 I241 | V204-I206 HydrophobicContact CG1-CD1 4.41Å; I206-K213 CarbonylContact O-C 3.52Å; I206-K213 VanDerWaalsContact O-CA 3.31Å; I206-K213 WeakPolarHBondContact O-CA 3.2Å; I206-K214 PolarHBondContact N-O 3.02Å; I206-K214 PolarHBondContact O-N 3.43Å; I206-A216 HydrophobicContact CD1-CB 3.82Å; I206-W231 HydrophobicContact CB-CE3 4.41Å; I206-W231 HydrophobicContact CD1-CB 3.72Å; I206-W231 HydrophobicContact CD1-CD2 4.03Å; I206-W231 HydrophobicContact CD1-CE3 4.35Å; I206-W231 HydrophobicContact CD1-CG 3.78Å; I206-W231 HydrophobicContact CG1-CB 4.47Å; I206-W231 HydrophobicContact CG1-CD2 3.79Å; I206-W231 HydrophobicContact CG1-CE3 3.97Å; I206-W231 HydrophobicContact CG1-CG 4.04Å; I206-W231 HydrophobicContact CG1-CZ3 4.45Å; I206-W231 HydrophobicContact CG2-CE3 3.99Å; I206-W231 HydrophobicContact CG2-CH2 4Å; I206-W231 HydrophobicContact CG2-CZ3 3.7Å; I206-H239 HydrophobicContact CG2-CB 4.06Å; I206-I241 HydrophobicContact CG1-CG1 4.12Å; I206-I241 HydrophobicContact CG2-CG1 4.4Å |
| 207 | T | 91.9 | Very high | 85.9 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.8 | 166.3 | -51.2 | 0 | 0 | 0 | 0 | 108.5 | K212 K213 H239 S240 | T207-K212 WeakPolarHBondContact CA-O 3.43Å; T207-K213 HydrophobicContact CG2-CD 4.38Å; T207-K213 HydrophobicContact CG2-CG 3.96Å; T207-K213 VanDerWaalsContact OG1-CE 3.29Å; T207-K213 WeakPolarHBondContact OG1-CE 3.2Å; T207-H239 CarbonylContact O-C 3.28Å; T207-H239 VanDerWaalsContact O-CA 3.27Å; T207-H239 WeakPolarHBondContact O-CA 3.32Å; T207-S240 PolarHBondContact N-O 2.88Å; T207-S240 PolarHBondContact O-N 2.79Å |
| 208 | S | 88.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | trans | -90.8 | 166.3 | 179.3 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | S210 D211 K212 E235 H239 | S208-S210 PolarHBondContact O-N 2.83Å; S208-S210 VanDerWaalsContact O-N 3.09Å; S208-S210 PolarHBondContact OG-OG 3.03Å; S208-D211 WeakPolarHBondContact O-CA 3.35Å; S208-D211 PolarHBondContact O-N 3.04Å; S208-K212 PolarHBondContact N-O 2.9Å; S208-K212 PolarHBondContact OG-N 2.81Å; S208-E235 WeakPolarHBondContact CB-OE1 3.13Å; S208-E235 VanDerWaalsContact OG-CD 3.29Å; S208-E235 PolarHBondContact OG-OE1 2.91Å; S208-H239 WeakPolarHBondContact CB-NE2 3.41Å | ||
| 209 | P | 81 | Confident | 87.2 | Confident | 70 Ų | 70 | 65 Ų | 65 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -29.1 | 176.9 | -30.6 | 33.3 | 0 | 0 | 0 | 115.5 | D211 E238 H239 | P209-D211 VanDerWaalsContact C-N 3.28Å; P209-D211 PolarHBondContact O-N 2.85Å; P209-E238 WeakPolarHBondContact CG-O 3.48Å; P209-H239 WeakPolarHBondContact CD-CE1 3.33Å; P209-H239 VanDerWaalsContact CD-ND1 3.32Å; P209-H239 WeakPolarHBondContact CD-ND1 3.43Å |
| 210 | S | 86.3 | Confident | 87.3 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 43% | 0.427 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 25.3 | 173.3 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | S208 K212 E235 | S208-S210 PolarHBondContact O-N 2.83Å; S208-S210 VanDerWaalsContact O-N 3.09Å; S208-S210 PolarHBondContact OG-OG 3.03Å; S210-K212 PolarHBondContact O-N 3.2Å; S210-K212 VanDerWaalsContact O-N 3.14Å; S210-K212 PolarHBondContact OG-NZ 2.85Å; S210-E235 WeakPolarHBondContact CB-OE1 3.44Å; S210-E235 PolarHBondContact N-OE1 3.3Å; S210-E235 PolarHBondContact OG-OE1 3.07Å; S210-E235 PolarHBondContact OG-OE2 2.71Å |
| 211 | D | 86.2 | Confident | 87 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 66% | 0.658 | 32% | 0.317 | S | S | * | . | trans | 61 | 15.3 | 176.6 | -128.4 | -25.6 | 0 | 0 | 0 | 115 | S208 P209 K213 | S208-D211 WeakPolarHBondContact O-CA 3.35Å; S208-D211 PolarHBondContact O-N 3.04Å; P209-D211 VanDerWaalsContact C-N 3.28Å; P209-D211 PolarHBondContact O-N 2.85Å; D211-K213 PolarHBondContact O-N 2.87Å | ||
| 212 | K | 82.2 | Confident | 86.5 | Confident | 117 Ų | 117 | 64.6 Ų | 64.6 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | trans | -76.7 | 124.9 | 177.2 | -55.2 | -173.5 | -168 | 85.6 | 0 | 109.8 | T207 S208 S210 E235 | T207-K212 WeakPolarHBondContact CA-O 3.43Å; S208-K212 PolarHBondContact N-O 2.9Å; S208-K212 PolarHBondContact OG-N 2.81Å; S210-K212 PolarHBondContact O-N 3.2Å; S210-K212 VanDerWaalsContact O-N 3.14Å; S210-K212 PolarHBondContact OG-NZ 2.85Å; K212-E235 IonicContact NZ-OE2 3.68Å; K212-E235 PolarHBondContact NZ-OE2 2.92Å | ||
| 213 | K | 88.9 | Confident | 85.2 | Confident | 143 Ų | 143 | 70.4 Ų | 70.4 | 62% | 0.622 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.7 | 178.8 | -58.3 | -164.4 | 179.4 | -166 | 0 | 112.3 | T205 I206 T207 D211 | T205-K213 HydrophobicContact CG2-CB 4.18Å; T205-K213 HydrophobicContact CG2-CD 4.4Å; I206-K213 CarbonylContact O-C 3.52Å; I206-K213 VanDerWaalsContact O-CA 3.31Å; I206-K213 WeakPolarHBondContact O-CA 3.2Å; T207-K213 HydrophobicContact CG2-CD 4.38Å; T207-K213 HydrophobicContact CG2-CG 3.96Å; T207-K213 VanDerWaalsContact OG1-CE 3.29Å; T207-K213 WeakPolarHBondContact OG1-CE 3.2Å; D211-K213 PolarHBondContact O-N 2.87Å |
| 214 | K | 88.1 | Confident | 83.8 | Confident | 125 Ų | 125 | 75.6 Ų | 75.6 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 134.7 | -177.7 | -162.8 | 175.8 | -177.5 | -177.8 | 0 | 109.4 | I206 | I206-K214 PolarHBondContact N-O 3.02Å; I206-K214 PolarHBondContact O-N 3.43Å |
| 215 | R | 88.4 | Confident | 82.7 | Confident | 183 Ų | 183 | 75.7 Ų | 75.7 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 147.2 | 174 | -63.6 | -166.9 | -167.2 | -151.4 | 6.3 | 110.6 | V204 | V204-R215 VanDerWaalsContact O-CA 3.23Å; V204-R215 WeakPolarHBondContact O-CA 3.25Å |
| 216 | A | 90.3 | Very high | 82.1 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | trans | -71.7 | 159.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V204 I206 A229 W231 | V204-A216 HydrophobicContact CB-CB 3.76Å; V204-A216 HydrophobicContact CG1-CB 3.51Å; V204-A216 PolarHBondContact O-N 3.5Å; V204-A216 VanDerWaalsContact O-N 3.11Å; I206-A216 HydrophobicContact CD1-CB 3.82Å; A216-A229 HydrophobicContact CB-CB 4.34Å; A216-W231 HydrophobicContact CB-CB 4.39Å | ||
| 217 | R | 91.5 | Very high | 81.8 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 113.3 | 167.4 | 175 | -175.6 | 179.8 | -137.5 | 1.8 | 108.4 | I219 E230 | R217-I219 HydrophobicContact CG-CG1 4.24Å; R217-E230 HydrophobicContact CB-CB 4.28Å; R217-E230 WeakPolarHBondContact CD-OE2 3.38Å; R217-E230 IonicContact CZ-OE2 3.86Å; R217-E230 PolarHBondContact N-O 2.74Å; R217-E230 IonicContact NE-OE2 2.69Å; R217-E230 IonicContact NH1-OE2 2.63Å; R217-E230 PolarHBondContact NH1-OE2 3.21Å; R217-E230 PolarHBondContact O-N 3.39Å |
| 218 | L | 89.2 | Confident | 81.6 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 142.7 | 170.8 | -68.3 | 167.8 | 0 | 0 | 0 | 110.4 | I192 I202 V204 A229 | I192-L218 HydrophobicContact CD1-CD2 3.69Å; I192-L218 HydrophobicContact CG1-CD2 4.47Å; I202-L218 HydrophobicContact CB-CD1 3.78Å; I202-L218 HydrophobicContact CG2-CD1 3.79Å; I202-L218 WeakPolarHBondContact O-CD1 3.48Å; V204-L218 HydrophobicContact CG2-CD2 4.03Å; V204-L218 HydrophobicContact CG2-CG 4.49Å; L218-A229 HydrophobicContact CD2-CB 3.93Å |
| 219 | I | 84.9 | Confident | 81.7 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 123.8 | 175.2 | -50.4 | 176 | 0 | 0 | 0 | 107.1 | R217 E221 Y227 R228 E230 | R217-I219 HydrophobicContact CG-CG1 4.24Å; I219-E221 PolarHBondContact O-N 3.18Å; I219-Y227 CarbonylContact O-C 3.59Å; I219-Y227 WeakPolarHBondContact O-CA 3.14Å; I219-R228 PolarHBondContact N-O 2.83Å; I219-R228 PolarHBondContact O-N 3.44Å; I219-E230 HydrophobicContact CD1-CG 4.13Å |
| 220 | P | 79.7 | Confident | 82.2 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133.5 | 170.5 | 25.1 | -31.9 | 0 | 0 | 0 | 110.5 | Y227 | P220-Y227 HydrophobicContact CB-CD1 4.06Å; P220-Y227 HydrophobicContact CB-CE1 3.82Å |
| 221 | E | 75.1 | Confident | 82.6 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | trans | -96.2 | -28.5 | 170.9 | -80.7 | -171 | 154.2 | 0 | 0 | 112.7 | R191 I219 T226 R228 | R191-E221 IonicContact CZ-OE1 3.38Å; R191-E221 IonicContact CZ-OE2 3.69Å; R191-E221 IonicContact NE-OE1 2.9Å; R191-E221 PolarHBondContact NE-OE1 2.87Å; R191-E221 IonicContact NE-OE2 3.22Å; R191-E221 PolarHBondContact NE-OE2 3.13Å; R191-E221 IonicContact NH2-OE1 3.95Å; R191-E221 PolarHBondContact NH2-OE1 2.86Å; R191-E221 IonicContact NH2-OE2 2.72Å; R191-E221 PolarHBondContact NH2-OE2 2.76Å; I219-E221 PolarHBondContact O-N 3.18Å; E221-T226 HydrophobicContact CB-CG2 4.4Å; E221-T226 PolarHBondContact N-O 2.59Å; E221-R228 HydrophobicContact CG-CB 3.75Å; E221-R228 VanDerWaalsContact OE1-CD 3.25Å; E221-R228 WeakPolarHBondContact OE1-CD 3.33Å | ||
| 222 | D | 70.4 | Confident | 82.8 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -144.8 | 175 | 179.3 | 57.7 | 45 | 0 | 0 | 0 | 111.6 | E224 G225 T226 K500 | D222-E224 VanDerWaalsContact C-N 3.33Å; D222-E224 PolarHBondContact OD1-N 3.02Å; D222-E224 VanDerWaalsContact OD1-N 3.07Å; D222-G225 PolarHBondContact OD1-N 2.75Å; D222-T226 WeakPolarHBondContact OD1-CB 3.32Å; D222-T226 PolarHBondContact OD1-N 2.93Å; D222-T226 PolarHBondContact OD1-OG1 2.91Å; D222-T226 WeakPolarHBondContact OD2-CB 3.43Å; D222-T226 PolarHBondContact OD2-OG1 3.44Å; D222-K500 IonicContact OD2-NZ 3.99Å |
| 223 | S | 57.3 | Low | 83 | Confident | 128 Ų | 128 | 65.2 Ų | 65.2 | 90% | 0.895 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -90.7 | 12.9 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 224 | E | 59.9 | Low | 82.8 | Confident | 140 Ų | 140 | 63 Ų | 63 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -110.6 | 1 | 180 | -63.9 | -161.5 | 166.2 | 0 | 0 | 113.2 | N195 D222 | N195-E224 WeakPolarHBondContact CA-O 3.26Å; N195-E224 PolarHBondContact ND2-O 2.95Å; D222-E224 VanDerWaalsContact C-N 3.33Å; D222-E224 PolarHBondContact OD1-N 3.02Å; D222-E224 VanDerWaalsContact OD1-N 3.07Å |
| 225 | G | 70.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 105.7 | 20.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | A194 D222 Y227 | A194-G225 CarbonylContact C-O 3.49Å; A194-G225 PolarHBondContact N-O 3.49Å; A194-G225 WeakPolarHBondContact O-CA 3.4Å; D222-G225 PolarHBondContact OD1-N 2.75Å; G225-Y227 WeakPolarHBondContact O-CD2 3.36Å; G225-Y227 VanDerWaalsContact O-CE2 3.31Å; G225-Y227 WeakPolarHBondContact O-CE2 3.23Å |
| 226 | T | 80.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.2 | 168.8 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | I192 V193 E221 D222 | I192-T226 CarbonylContact O-C 3.58Å; I192-T226 WeakPolarHBondContact O-CA 3.11Å; V193-T226 HydrophobicContact CG2-CG2 4.08Å; E221-T226 HydrophobicContact CB-CG2 4.4Å; E221-T226 PolarHBondContact N-O 2.59Å; D222-T226 WeakPolarHBondContact OD1-CB 3.32Å; D222-T226 PolarHBondContact OD1-N 2.93Å; D222-T226 PolarHBondContact OD1-OG1 2.91Å; D222-T226 WeakPolarHBondContact OD2-CB 3.43Å; D222-T226 PolarHBondContact OD2-OG1 3.44Å |
| 227 | Y | 86.5 | Confident | 81.9 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.4 | 174.9 | -57.2 | -84.4 | 0 | 0 | 0 | 111.3 | R191 I192 V197 E198 I202 I219 P220 G225 | R191-Y227 CarbonylContact C-O 3.58Å; R191-Y227 WeakPolarHBondContact CA-O 3.44Å; I192-Y227 PolarHBondContact N-O 3.05Å; I192-Y227 PolarHBondContact O-N 3.01Å; V197-Y227 WeakPolarHBondContact O-CE2 3.41Å; V197-Y227 PolarHBondContact O-OH 3.22Å; V197-Y227 VanDerWaalsContact O-OH 3.13Å; E198-Y227 WeakPolarHBondContact CA-OH 3.24Å; I202-Y227 HydrophobicContact CD1-CD2 3.42Å; I202-Y227 VanDerWaalsContact CD1-CD2 3.42Å; I202-Y227 HydrophobicContact CD1-CE2 3.79Å; I202-Y227 HydrophobicContact CD1-CG 4.07Å; I219-Y227 CarbonylContact O-C 3.59Å; I219-Y227 WeakPolarHBondContact O-CA 3.14Å; P220-Y227 HydrophobicContact CB-CD1 4.06Å; P220-Y227 HydrophobicContact CB-CE1 3.82Å; G225-Y227 WeakPolarHBondContact O-CD2 3.36Å; G225-Y227 VanDerWaalsContact O-CE2 3.31Å; G225-Y227 WeakPolarHBondContact O-CE2 3.23Å |
| 228 | R | 88.4 | Confident | 81.6 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.2 | 169.6 | 178.1 | 167.4 | 163.8 | -79.1 | -11.9 | 109.3 | V189 I219 E221 E230 | V189-R228 HydrophobicContact CG1-CG 3.66Å; I219-R228 PolarHBondContact N-O 2.83Å; I219-R228 PolarHBondContact O-N 3.44Å; E221-R228 HydrophobicContact CG-CB 3.75Å; E221-R228 VanDerWaalsContact OE1-CD 3.25Å; E221-R228 WeakPolarHBondContact OE1-CD 3.33Å; R228-E230 IonicContact CZ-OE1 3.32Å; R228-E230 IonicContact NH1-OE1 3.43Å; R228-E230 PolarHBondContact NH1-OE1 2.97Å; R228-E230 IonicContact NH2-OE1 3.99Å; R228-E230 PolarHBondContact NH2-OE1 2.84Å |
| 229 | A | 89.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | V189 F190 I192 A216 L218 | V189-A229 WeakPolarHBondContact CA-O 3.46Å; F190-A229 HydrophobicContact CD1-CB 4.1Å; F190-A229 HydrophobicContact CD2-CB 4.05Å; F190-A229 HydrophobicContact CE1-CB 3.84Å; F190-A229 HydrophobicContact CE2-CB 3.79Å; F190-A229 HydrophobicContact CG-CB 4.21Å; F190-A229 HydrophobicContact CZ-CB 3.69Å; F190-A229 PolarHBondContact N-O 2.83Å; F190-A229 VanDerWaalsContact N-O 3.17Å; F190-A229 PolarHBondContact O-N 3.02Å; I192-A229 HydrophobicContact CD1-CB 4.41Å; A216-A229 HydrophobicContact CB-CB 4.34Å; L218-A229 HydrophobicContact CD2-CB 3.93Å |
| 230 | E | 92.5 | Very high | 81.9 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.9 | 174 | -69.6 | -173.5 | 154.2 | 0 | 0 | 111.5 | L187 R217 I219 R228 | L187-E230 HydrophobicContact CD1-CB 4.25Å; L187-E230 HydrophobicContact CD2-CG 4.37Å; R217-E230 HydrophobicContact CB-CB 4.28Å; R217-E230 WeakPolarHBondContact CD-OE2 3.38Å; R217-E230 IonicContact CZ-OE2 3.86Å; R217-E230 PolarHBondContact N-O 2.74Å; R217-E230 IonicContact NE-OE2 2.69Å; R217-E230 IonicContact NH1-OE2 2.63Å; R217-E230 PolarHBondContact NH1-OE2 3.21Å; R217-E230 PolarHBondContact O-N 3.39Å; I219-E230 HydrophobicContact CD1-CG 4.13Å; R228-E230 IonicContact CZ-OE1 3.32Å; R228-E230 IonicContact NH1-OE1 3.43Å; R228-E230 PolarHBondContact NH1-OE1 2.97Å; R228-E230 IonicContact NH2-OE1 3.99Å; R228-E230 PolarHBondContact NH2-OE1 2.84Å |
| 231 | W | 93.5 | Very high | 82.6 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 166.1 | 165.1 | 69 | -74.9 | 0 | 0 | 0 | 111.7 | G178 A182 L187 A188 I206 A216 P233 H239 I241 C257 V259 | G178-W231 PolarHBondContact O-NE1 3.24Å; G178-W231 VanDerWaalsContact O-NE1 3.1Å; A182-W231 HydrophobicContact CB-CZ2 4.25Å; L187-W231 CarbonylContact C-O 3.6Å; A188-W231 HydrophobicContact CB-CD2 3.91Å; A188-W231 HydrophobicContact CB-CG 3.99Å; A188-W231 HydrophobicContact CB-CZ2 4.1Å; A188-W231 PolarHBondContact N-O 2.92Å; A188-W231 PolarHBondContact O-N 2.86Å; I206-W231 HydrophobicContact CB-CE3 4.41Å; I206-W231 HydrophobicContact CD1-CB 3.72Å; I206-W231 HydrophobicContact CD1-CD2 4.03Å; I206-W231 HydrophobicContact CD1-CE3 4.35Å; I206-W231 HydrophobicContact CD1-CG 3.78Å; I206-W231 HydrophobicContact CG1-CB 4.47Å; I206-W231 HydrophobicContact CG1-CD2 3.79Å; I206-W231 HydrophobicContact CG1-CE3 3.97Å; I206-W231 HydrophobicContact CG1-CG 4.04Å; I206-W231 HydrophobicContact CG1-CZ3 4.45Å; I206-W231 HydrophobicContact CG2-CE3 3.99Å; I206-W231 HydrophobicContact CG2-CH2 4Å; I206-W231 HydrophobicContact CG2-CZ3 3.7Å; A216-W231 HydrophobicContact CB-CB 4.39Å; W231-P233 HydrophobicContact CE3-CB 4.42Å; W231-P233 HydrophobicContact CE3-CG 4.01Å; W231-P233 HydrophobicContact CH2-CB 4.24Å; W231-P233 HydrophobicContact CH2-CG 3.8Å; W231-P233 HydrophobicContact CZ2-CG 4.43Å; W231-P233 HydrophobicContact CZ3-CB 3.74Å; W231-P233 HydrophobicContact CZ3-CG 3.55Å; W231-H239 HydrophobicContact CH2-CB 4.04Å; W231-H239 AromaticContact CH2-CD2 3.78Å; W231-H239 AromaticContact CH2-CG 3.94Å; W231-H239 AromaticContact CZ3-CD2 3.59Å; W231-I241 HydrophobicContact CZ2-CD1 3.76Å; W231-I241 HydrophobicContact CZ2-CG1 4.48Å; W231-C257 HydrophobicContact CZ2-CB 4.42Å; W231-V259 HydrophobicContact CH2-CG2 3.72Å; W231-V259 HydrophobicContact CZ3-CG2 4.47Å |
| 232 | K | 90.6 | Very high | 83.4 | Confident | 94 Ų | 94 | 42.8 Ų | 42.8 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | trans | -130.1 | 113.1 | 179.1 | -161.6 | -172.9 | -150.4 | -98.3 | 0 | 108.5 | D185 H186 | D185-K232 WeakPolarHBondContact O-CE 3.43Å; D185-K232 PolarHBondContact O-NZ 2.71Å; D185-K232 IonicContact OD1-NZ 2.8Å; D185-K232 PolarHBondContact OD1-NZ 2.89Å; H186-K232 WeakPolarHBondContact O-CG 3.39Å | ||
| 233 | P | 86.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -68.3 | 151.9 | 172.5 | -9.2 | 24.2 | 0 | 0 | 0 | 110.6 | A182 S183 D185 H186 A188 W231 V259 | A182-P233 HydrophobicContact CB-CG 3.7Å; S183-P233 WeakPolarHBondContact O-CG 3.06Å; D185-P233 PolarHBondContact N-O 2.73Å; H186-P233 WeakPolarHBondContact O-CD 3.12Å; A188-P233 HydrophobicContact CB-CG 4.5Å; W231-P233 HydrophobicContact CE3-CB 4.42Å; W231-P233 HydrophobicContact CE3-CG 4.01Å; W231-P233 HydrophobicContact CH2-CB 4.24Å; W231-P233 HydrophobicContact CH2-CG 3.8Å; W231-P233 HydrophobicContact CZ2-CG 4.43Å; W231-P233 HydrophobicContact CZ3-CB 3.74Å; W231-P233 HydrophobicContact CZ3-CG 3.55Å; P233-V259 HydrophobicContact CB-CB 4.4Å; P233-V259 HydrophobicContact CB-CG1 3.46Å; P233-V259 VanDerWaalsContact CB-CG1 3.46Å; P233-V259 HydrophobicContact CB-CG2 4.04Å; P233-V259 HydrophobicContact CG-CG1 3.91Å; P233-V259 HydrophobicContact CG-CG2 4.14Å | ||
| 234 | I | 85 | Confident | 85.8 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | trans | -137.5 | 7.1 | -177.3 | 53.3 | 172.6 | 0 | 0 | 0 | 113 | ||||
| 235 | E | 85.4 | Confident | 86.9 | Confident | 38 Ų | 38 | 33 Ų | 33 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -152.2 | 150.1 | 174 | 53.5 | -166.7 | -128.8 | 0 | 0 | 107.8 | S208 S210 K212 H239 V259 | S208-E235 WeakPolarHBondContact CB-OE1 3.13Å; S208-E235 VanDerWaalsContact OG-CD 3.29Å; S208-E235 PolarHBondContact OG-OE1 2.91Å; S210-E235 WeakPolarHBondContact CB-OE1 3.44Å; S210-E235 PolarHBondContact N-OE1 3.3Å; S210-E235 PolarHBondContact OG-OE1 3.07Å; S210-E235 PolarHBondContact OG-OE2 2.71Å; K212-E235 IonicContact NZ-OE2 3.68Å; K212-E235 PolarHBondContact NZ-OE2 2.92Å; E235-H239 PolarHBondContact O-CE1 3.27Å; E235-V259 WeakPolarHBondContact O-CG1 3.29Å |
| 236 | A | 82.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 35 Ų | 35 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | trans | -87.7 | 150.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V184 D261 | V184-A236 HydrophobicContact CG2-CB 3.92Å; A236-D261 HydrophobicContact CB-CB 4.2Å | ||
| 237 | G | 81.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.4 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | H239 V259 | G237-H239 PolarHBondContact O-N 2.91Å; G237-H239 PolarHBondContact O-ND1 3.44Å; G237-V259 PolarHBondContact N-O 3.43Å; G237-V259 WeakPolarHBondContact O-CB 3.4Å; G237-V259 PolarHBondContact O-N 3.37Å; G237-V259 VanDerWaalsContact O-N 3.16Å |
| 238 | E | 84 | Confident | 86.4 | Confident | 122 Ų | 122 | 40.7 Ų | 40.7 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 110 | -177.8 | -166.3 | 165.5 | -115.6 | 0 | 0 | 111.4 | P209 D256 | P209-E238 WeakPolarHBondContact CG-O 3.48Å; E238-D256 HydrophobicContact CG-CB 4.3Å |
| 239 | H | 89.7 | Confident | 86 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 143.7 | 172.5 | -73 | 56.5 | 0 | 0 | 0 | 109.3 | I206 T207 S208 P209 W231 E235 G237 C257 V259 | I206-H239 HydrophobicContact CG2-CB 4.06Å; T207-H239 CarbonylContact O-C 3.28Å; T207-H239 VanDerWaalsContact O-CA 3.27Å; T207-H239 WeakPolarHBondContact O-CA 3.32Å; S208-H239 WeakPolarHBondContact CB-NE2 3.41Å; P209-H239 WeakPolarHBondContact CD-CE1 3.33Å; P209-H239 VanDerWaalsContact CD-ND1 3.32Å; P209-H239 WeakPolarHBondContact CD-ND1 3.43Å; W231-H239 HydrophobicContact CH2-CB 4.04Å; W231-H239 AromaticContact CH2-CD2 3.78Å; W231-H239 AromaticContact CH2-CG 3.94Å; W231-H239 AromaticContact CZ3-CD2 3.59Å; E235-H239 PolarHBondContact O-CE1 3.27Å; G237-H239 PolarHBondContact O-N 2.91Å; G237-H239 PolarHBondContact O-ND1 3.44Å; H239-C257 HydrophobicContact CB-CB 4.46Å; H239-C257 PolarHBondContact N-O 2.99Å; H239-C257 PolarHBondContact O-N 3.23Å; H239-V259 HydrophobicContact CB-CG2 4.17Å; H239-V259 WeakPolarHBondContact ND1-CG2 3.16Å |
| 240 | S | 91.4 | Very high | 85.8 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.2 | 177.6 | -157.8 | 0 | 0 | 0 | 0 | 110.3 | T207 D256 | T207-S240 PolarHBondContact N-O 2.88Å; T207-S240 PolarHBondContact O-N 2.79Å; S240-D256 PolarHBondContact OG-OD1 2.84Å |
| 241 | I | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 103.7 | -175.3 | -54.8 | 179.9 | 0 | 0 | 0 | 109.1 | L179 F190 V204 I206 W231 V243 P254 F255 C257 | L179-I241 HydrophobicContact CD1-CD1 4.46Å; L179-I241 HydrophobicContact CD1-CG2 4.23Å; F190-I241 HydrophobicContact CE1-CD1 4.27Å; F190-I241 HydrophobicContact CE1-CG2 4.07Å; F190-I241 HydrophobicContact CZ-CG2 3.89Å; V204-I241 HydrophobicContact CG1-CG2 3.9Å; I206-I241 HydrophobicContact CG1-CG1 4.12Å; I206-I241 HydrophobicContact CG2-CG1 4.4Å; W231-I241 HydrophobicContact CZ2-CD1 3.76Å; W231-I241 HydrophobicContact CZ2-CG1 4.48Å; I241-V243 HydrophobicContact CG2-CG2 4.13Å; I241-P254 CarbonylContact O-C 3.54Å; I241-P254 WeakPolarHBondContact O-CA 3.3Å; I241-F255 PolarHBondContact N-O 2.8Å; I241-F255 PolarHBondContact O-N 3.39Å; I241-C257 HydrophobicContact CD1-CB 3.58Å; I241-C257 HydrophobicContact CG1-CB 4Å |
| 242 | D | 92 | Very high | 83.9 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.4 | 175.5 | -167.5 | 9.3 | 0 | 0 | 0 | 110.3 | V204 T205 R244 S249 S253 P254 | V204-D242 CarbonylContact C-O 3.56Å; V204-D242 WeakPolarHBondContact CA-O 3.31Å; T205-D242 PolarHBondContact N-O 2.8Å; T205-D242 PolarHBondContact O-N 2.99Å; D242-R244 IonicContact OD1-NE 2.59Å; D242-R244 IonicContact OD2-CZ 3.08Å; D242-R244 IonicContact OD2-NE 3.79Å; D242-R244 PolarHBondContact OD2-NE 2.92Å; D242-R244 IonicContact OD2-NH2 3.9Å; D242-R244 PolarHBondContact OD2-NH2 2.78Å; D242-S249 PolarHBondContact OD1-OG 2.56Å; D242-S253 WeakPolarHBondContact CA-OG 3.47Å; D242-S253 PolarHBondContact OD1-OG 2.98Å; D242-P254 HydrophobicContact CB-CB 3.99Å |
| 243 | V | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.1 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | V174 F190 I192 V204 I241 S249 I250 S253 F255 | V174-V243 HydrophobicContact CG1-CG1 4.09Å; V174-V243 HydrophobicContact CG1-CG2 4.38Å; F190-V243 HydrophobicContact CE2-CG2 4.15Å; F190-V243 HydrophobicContact CZ-CG2 4.15Å; I192-V243 HydrophobicContact CD1-CG1 4.01Å; V204-V243 HydrophobicContact CG1-CG2 4.43Å; V204-V243 HydrophobicContact CG2-CG1 4.33Å; V204-V243 HydrophobicContact CG2-CG2 4.28Å; I241-V243 HydrophobicContact CG2-CG2 4.13Å; V243-S249 WeakPolarHBondContact O-CA 3.44Å; V243-I250 HydrophobicContact CB-CD1 3.87Å; V243-I250 HydrophobicContact CB-CG1 4.09Å; V243-I250 HydrophobicContact CG1-CD1 3.7Å; V243-I250 HydrophobicContact CG1-CG1 4.25Å; V243-I250 PolarHBondContact O-N 2.97Å; V243-S253 PolarHBondContact N-OG 2.82Å; V243-S253 PolarHBondContact O-OG 2.85Å; V243-F255 HydrophobicContact CG2-CD2 4.41Å; V243-F255 HydrophobicContact CG2-CE2 4.38Å |
| 244 | R | 87.8 | Confident | 83.4 | Confident | 93 Ų | 93 | 49 Ų | 49 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152.7 | -175.7 | -57.9 | -178.1 | 174.1 | -125.4 | -2.6 | 112.5 | I202 T203 D242 G247 Q248 S249 | I202-R244 CarbonylContact C-O 3.52Å; I202-R244 VanDerWaalsContact CA-O 3.28Å; I202-R244 WeakPolarHBondContact CA-O 3.42Å; T203-R244 PolarHBondContact N-O 2.82Å; T203-R244 PolarHBondContact O-N 3.23Å; D242-R244 IonicContact OD1-NE 2.59Å; D242-R244 IonicContact OD2-CZ 3.08Å; D242-R244 IonicContact OD2-NE 3.79Å; D242-R244 PolarHBondContact OD2-NE 2.92Å; D242-R244 IonicContact OD2-NH2 3.9Å; D242-R244 PolarHBondContact OD2-NH2 2.78Å; R244-G247 WeakPolarHBondContact CD-O 3.34Å; R244-G247 PolarHBondContact NH1-O 2.99Å; R244-Q248 CarbonylContact C-O 3.52Å; R244-Q248 WeakPolarHBondContact CA-O 3.21Å; R244-Q248 WeakPolarHBondContact CB-O 3.31Å; R244-S249 PolarHBondContact NE-OG 2.78Å |
| 245 | V | 83 | Confident | 83.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124 | 179.1 | 160.8 | 0 | 0 | 0 | 0 | 107.8 | V85 V172 V197 I202 G247 Q248 I250 Y873 | V85-V245 HydrophobicContact CG2-CG1 3.98Å; V172-V245 HydrophobicContact CG1-CG2 4.18Å; V172-V245 HydrophobicContact CG2-CG1 4.4Å; V172-V245 HydrophobicContact CG2-CG2 4.15Å; V197-V245 HydrophobicContact CG1-CG1 4.14Å; V197-V245 HydrophobicContact CG1-CG2 4.28Å; I202-V245 HydrophobicContact CG1-CG2 4.15Å; V245-G247 PolarHBondContact O-N 2.86Å; V245-G247 VanDerWaalsContact O-N 3.15Å; V245-Q248 PolarHBondContact N-O 3.3Å; V245-Q248 PolarHBondContact O-N 2.89Å; V245-I250 HydrophobicContact CB-CG2 4.34Å; V245-I250 HydrophobicContact CG2-CG2 4.09Å; V245-Y873 HydrophobicContact CG1-CE2 4.36Å |
| 246 | H | 75.5 | Confident | 83.5 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 33.9 | -164.9 | -57.2 | -94.5 | 0 | 0 | 0 | 112.6 | S83 A84 V85 E201 Q248 Y873 | S83-H246 PolarHBondContact O-CE1 2.91Å; A84-H246 WeakPolarHBondContact CA-CE1 3.37Å; V85-H246 HydrophobicContact CB-CB 4.15Å; V85-H246 HydrophobicContact CG2-CB 4.33Å; V85-H246 WeakPolarHBondContact CG2-CD2 3.33Å; V85-H246 PolarHBondContact N-NE2 2.8Å; E201-H246 VanDerWaalsContact CG-CA 3.5Å; E201-H246 HydrophobicContact CG-CB 4.19Å; E201-H246 PolarHBondContact O-N 2.9Å; E201-H246 IonicContact OE1-CE1 3.2Å; E201-H246 PolarHBondContact OE1-CE1 3.01Å; E201-H246 IonicContact OE1-CG 2.65Å; E201-H246 IonicContact OE1-ND1 2.73Å; E201-H246 PolarHBondContact OE1-ND1 2.88Å; E201-H246 IonicContact OE2-CE1 2.77Å; E201-H246 PolarHBondContact OE2-CE1 2.87Å; E201-H246 IonicContact OE2-ND1 2.75Å; E201-H246 PolarHBondContact OE2-ND1 2.95Å; H246-Q248 PolarHBondContact O-N 2.83Å; H246-Q248 VanDerWaalsContact O-N 3.14Å; H246-Y873 AromaticContact CD2-CE2 3.67Å; H246-Y873 AromaticContact CE1-CD2 3.6Å; H246-Y873 AromaticContact CE1-CE2 3.71Å; H246-Y873 AromaticContact NE2-CD2 3.55Å; H246-Y873 AromaticContact NE2-CE2 3.31Å; H246-Y873 VanDerWaalsContact NE2-CE2 3.31Å; H246-Y873 WeakPolarHBondContact NE2-CE2 3.27Å |
| 247 | G | 75.5 | Confident | 83.6 | Confident | 42 Ų | 42 | 46.1 Ų | 46.1 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -9.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | R244 V245 | R244-G247 WeakPolarHBondContact CD-O 3.34Å; R244-G247 PolarHBondContact NH1-O 2.99Å; V245-G247 PolarHBondContact O-N 2.86Å; V245-G247 VanDerWaalsContact O-N 3.15Å |
| 248 | Q | 75.6 | Confident | 83.8 | Confident | 106 Ų | 106 | 48 Ų | 48 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 131.6 | 168.4 | -79.3 | -169.3 | -5.7 | 0 | 0 | 110.7 | A169 R244 V245 H246 | A169-Q248 HydrophobicContact CB-CB 4.19Å; R244-Q248 CarbonylContact C-O 3.52Å; R244-Q248 WeakPolarHBondContact CA-O 3.21Å; R244-Q248 WeakPolarHBondContact CB-O 3.31Å; V245-Q248 PolarHBondContact N-O 3.3Å; V245-Q248 PolarHBondContact O-N 2.89Å; H246-Q248 PolarHBondContact O-N 2.83Å; H246-Q248 VanDerWaalsContact O-N 3.14Å |
| 249 | S | 79.5 | Confident | 83.8 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 135.9 | 169.9 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | D242 V243 R244 | D242-S249 PolarHBondContact OD1-OG 2.56Å; V243-S249 WeakPolarHBondContact O-CA 3.44Å; R244-S249 PolarHBondContact NE-OG 2.78Å |
| 250 | I | 85.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 170.5 | 179.1 | 68.3 | 173.9 | 0 | 0 | 0 | 111.5 | A169 V172 V174 V243 V245 H252 S253 F255 | A169-I250 WeakPolarHBondContact O-CB 3.43Å; A169-I250 WeakPolarHBondContact O-CG2 3.48Å; V172-I250 HydrophobicContact CB-CG2 4.06Å; V172-I250 HydrophobicContact CG1-CD1 4.36Å; V172-I250 HydrophobicContact CG1-CG2 4.03Å; V174-I250 HydrophobicContact CB-CD1 4.33Å; V174-I250 HydrophobicContact CG1-CD1 3.61Å; V174-I250 HydrophobicContact CG2-CD1 3.77Å; V243-I250 HydrophobicContact CB-CD1 3.87Å; V243-I250 HydrophobicContact CB-CG1 4.09Å; V243-I250 HydrophobicContact CG1-CD1 3.7Å; V243-I250 HydrophobicContact CG1-CG1 4.25Å; V243-I250 PolarHBondContact O-N 2.97Å; V245-I250 HydrophobicContact CB-CG2 4.34Å; V245-I250 HydrophobicContact CG2-CG2 4.09Å; I250-H252 PolarHBondContact O-N 3.4Å; I250-S253 WeakPolarHBondContact O-CB 3.36Å; I250-S253 PolarHBondContact O-N 3.24Å; I250-F255 HydrophobicContact CD1-CE2 4.2Å; I250-F255 HydrophobicContact CD1-CZ 4.37Å; I250-F255 HydrophobicContact CG1-CE2 4.2Å; I250-F255 HydrophobicContact CG1-CZ 4.46Å |
| 251 | N | 73.5 | Confident | 83.3 | Confident | 99 Ų | 99 | 42 Ų | 42 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 130.7 | 176 | -89.8 | -12.1 | 0 | 0 | 0 | 112.2 | S170 S253 F255 | S170-N251 WeakPolarHBondContact CB-ND2 3.38Å; N251-S253 PolarHBondContact O-N 3.35Å; N251-F255 WeakPolarHBondContact O-CZ 3.46Å |
| 252 | H | 71.6 | Confident | 82.5 | Confident | 135 Ų | 135 | 42.4 Ų | 42.4 | 63% | 0.625 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 9.8 | -175.5 | -50.2 | -55.9 | 0 | 0 | 0 | 116.3 | I250 P254 F255 K664 | I250-H252 PolarHBondContact O-N 3.4Å; H252-P254 CarbonylContact O-C 3.52Å; H252-F255 HydrophobicContact CB-CD1 4.47Å; H252-F255 HydrophobicContact CB-CE1 3.72Å; H252-F255 HydrophobicContact CB-CZ 4.06Å; H252-K664 PolarHBondContact NE2-NZ 3.31Å |
| 253 | S | 82.4 | Confident | 81.9 | Confident | 20 Ų | 20 | 47 Ų | 47 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -84 | 138.7 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | D242 V243 I250 N251 | D242-S253 WeakPolarHBondContact CA-OG 3.47Å; D242-S253 PolarHBondContact OD1-OG 2.98Å; V243-S253 PolarHBondContact N-OG 2.82Å; V243-S253 PolarHBondContact O-OG 2.85Å; I250-S253 WeakPolarHBondContact O-CB 3.36Å; I250-S253 PolarHBondContact O-N 3.24Å; N251-S253 PolarHBondContact O-N 3.35Å |
| 254 | P | 85.2 | Confident | 81.5 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | S | Bend | cis | -78 | 148 | 0.9 | 33.9 | -36.7 | 0 | 0 | 0 | 113.6 | I241 D242 H252 | I241-P254 CarbonylContact O-C 3.54Å; I241-P254 WeakPolarHBondContact O-CA 3.3Å; D242-P254 HydrophobicContact CB-CB 3.99Å; H252-P254 CarbonylContact O-C 3.52Å |
| 255 | F | 87.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.3 | 178.3 | -58.4 | -95.1 | 0 | 0 | 0 | 110.4 | V174 L179 I241 V243 I250 N251 H252 | V174-F255 HydrophobicContact CG2-CD2 4.4Å; V174-F255 HydrophobicContact CG2-CE1 3.88Å; V174-F255 HydrophobicContact CG2-CE2 3.57Å; V174-F255 HydrophobicContact CG2-CZ 3.26Å; L179-F255 HydrophobicContact CD1-CB 3.96Å; L179-F255 HydrophobicContact CD1-CD1 4.46Å; L179-F255 HydrophobicContact CD1-CD2 3.89Å; L179-F255 HydrophobicContact CD1-CG 3.85Å; L179-F255 HydrophobicContact CD2-CD1 3.86Å; L179-F255 HydrophobicContact CD2-CE1 4.1Å; L179-F255 HydrophobicContact CD2-CG 4.1Å; L179-F255 HydrophobicContact CG-CB 4.05Å; L179-F255 HydrophobicContact CG-CD1 4.16Å; L179-F255 HydrophobicContact CG-CD2 4.46Å; L179-F255 HydrophobicContact CG-CG 3.97Å; I241-F255 PolarHBondContact N-O 2.8Å; I241-F255 PolarHBondContact O-N 3.39Å; V243-F255 HydrophobicContact CG2-CD2 4.41Å; V243-F255 HydrophobicContact CG2-CE2 4.38Å; I250-F255 HydrophobicContact CD1-CE2 4.2Å; I250-F255 HydrophobicContact CD1-CZ 4.37Å; I250-F255 HydrophobicContact CG1-CE2 4.2Å; I250-F255 HydrophobicContact CG1-CZ 4.46Å; N251-F255 WeakPolarHBondContact O-CZ 3.46Å; H252-F255 HydrophobicContact CB-CD1 4.47Å; H252-F255 HydrophobicContact CB-CE1 3.72Å; H252-F255 HydrophobicContact CB-CZ 4.06Å |
| 256 | D | 84.7 | Confident | 81 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.2 | 176 | -62.6 | -43.6 | 0 | 0 | 0 | 110.8 | E238 S240 | E238-D256 HydrophobicContact CG-CB 4.3Å; S240-D256 PolarHBondContact OG-OD1 2.84Å |
| 257 | C | 85.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.1 | -176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | L179 H180 S181 W231 H239 I241 V259 | L179-C257 VanDerWaalsContact O-CB 3.3Å; L179-C257 WeakPolarHBondContact O-CB 3.49Å; H180-C257 VanDerWaalsContact C-SG 3.55Å; S181-C257 PolarHBondContact N-SG 2.82Å; S181-C257 VanDerWaalsContact N-SG 3.41Å; W231-C257 HydrophobicContact CZ2-CB 4.42Å; H239-C257 HydrophobicContact CB-CB 4.46Å; H239-C257 PolarHBondContact N-O 2.99Å; H239-C257 PolarHBondContact O-N 3.23Å; I241-C257 HydrophobicContact CD1-CB 3.58Å; I241-C257 HydrophobicContact CG1-CB 4Å; C257-V259 PolarHBondContact O-N 3.33Å |
| 258 | N | 83.8 | Confident | 80.9 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 103 | -177.1 | -78.1 | -70.1 | 0 | 0 | 0 | 110.7 | H180 S181 A182 S316 N359 | H180-N258 PolarHBondContact O-N 2.82Å; S181-N258 WeakPolarHBondContact CA-O 3.23Å; A182-N258 PolarHBondContact N-O 2.88Å; A182-N258 VanDerWaalsContact N-O 3.14Å; N258-S316 CarbonylContact C-O 3.58Å; N258-S316 WeakPolarHBondContact CA-OG 3.35Å; N258-S316 WeakPolarHBondContact CB-OG 3.43Å; N258-S316 VanDerWaalsContact O-O 3.08Å; N258-S316 WeakPolarHBondContact OD1-CB 3.3Å; N258-S316 PolarHBondContact OD1-OG 3.32Å; N258-N359 PolarHBondContact O-ND2 2.72Å |
| 259 | V | 85.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.9 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | A182 V184 W231 P233 E235 G237 H239 C257 S316 | A182-V259 HydrophobicContact CB-CG2 4.28Å; A182-V259 WeakPolarHBondContact O-CA 3.27Å; V184-V259 HydrophobicContact CG2-CG1 3.94Å; W231-V259 HydrophobicContact CH2-CG2 3.72Å; W231-V259 HydrophobicContact CZ3-CG2 4.47Å; P233-V259 HydrophobicContact CB-CB 4.4Å; P233-V259 HydrophobicContact CB-CG1 3.46Å; P233-V259 VanDerWaalsContact CB-CG1 3.46Å; P233-V259 HydrophobicContact CB-CG2 4.04Å; P233-V259 HydrophobicContact CG-CG1 3.91Å; P233-V259 HydrophobicContact CG-CG2 4.14Å; E235-V259 WeakPolarHBondContact O-CG1 3.29Å; G237-V259 PolarHBondContact N-O 3.43Å; G237-V259 WeakPolarHBondContact O-CB 3.4Å; G237-V259 PolarHBondContact O-N 3.37Å; G237-V259 VanDerWaalsContact O-N 3.16Å; H239-V259 HydrophobicContact CB-CG2 4.17Å; H239-V259 WeakPolarHBondContact ND1-CG2 3.16Å; C257-V259 PolarHBondContact O-N 3.33Å; V259-S316 CarbonylContact C-O 3.47Å; V259-S316 PolarHBondContact N-O 2.83Å; V259-S316 PolarHBondContact O-N 2.87Å |
| 260 | G | 82.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 156.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A182 S183 V184 A314 S316 | A182-G260 PolarHBondContact O-N 2.82Å; S183-G260 CarbonylContact C-O 3.4Å; S183-G260 WeakPolarHBondContact CA-O 3.08Å; V184-G260 PolarHBondContact N-O 3.27Å; G260-A314 CarbonylContact C-O 3.34Å; G260-A314 WeakPolarHBondContact CA-O 3.3Å; G260-S316 PolarHBondContact N-O 3.4Å |
| 261 | D | 86.3 | Confident | 78.8 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | trans | -114.2 | 105.7 | 169.8 | -170.1 | -27.8 | 0 | 0 | 0 | 110.3 | V184 A236 E263 L264 A314 | V184-D261 HydrophobicContact CB-CB 4.26Å; V184-D261 HydrophobicContact CG2-CB 3.91Å; A236-D261 HydrophobicContact CB-CB 4.2Å; D261-E263 PolarHBondContact O-N 3.26Å; D261-E263 WeakPolarHBondContact OD1-CB 3.5Å; D261-E263 PolarHBondContact OD1-N 3.35Å; D261-L264 HydrophobicContact CB-CB 4.12Å; D261-L264 HydrophobicContact CB-CD1 3.89Å; D261-L264 HydrophobicContact CB-CG 3.97Å; D261-L264 PolarHBondContact O-N 2.8Å; D261-L264 VanDerWaalsContact O-N 3.16Å; D261-A314 PolarHBondContact N-O 3.36Å; D261-A314 VanDerWaalsContact O-CB 3.3Å; D261-A314 WeakPolarHBondContact O-CB 3.23Å | ||
| 262 | P | 78.3 | Confident | 77.9 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.5 | -179.5 | 29.3 | -35.4 | 0 | 0 | 0 | 113.8 | F358 L361 | P262-F358 HydrophobicContact CB-CB 4.26Å; P262-L361 HydrophobicContact CG-CB 4.31Å; P262-L361 HydrophobicContact CG-CD1 4.26Å |
| 263 | E | 79 | Confident | 77.2 | Confident | 121 Ų | 121 | 53.4 Ų | 53.4 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.5 | 174 | -57 | -147.3 | -174.9 | 0 | 0 | 112.6 | D261 K364 | D261-E263 PolarHBondContact O-N 3.26Å; D261-E263 WeakPolarHBondContact OD1-CB 3.5Å; D261-E263 PolarHBondContact OD1-N 3.35Å; E263-K364 HydrophobicContact CB-CD 4.49Å; E263-K364 HydrophobicContact CG-CD 3.76Å; E263-K364 IonicContact OE1-NZ 3.72Å; E263-K364 PolarHBondContact OE1-NZ 2.95Å; E263-K364 WeakPolarHBondContact OE2-CD 3.42Å; E263-K364 IonicContact OE2-NZ 2.69Å; E263-K364 PolarHBondContact OE2-NZ 2.72Å |
| 264 | L | 81.9 | Confident | 76 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -93.7 | -2.8 | 175.6 | -63.6 | -178.3 | 0 | 0 | 0 | 113.7 | D261 T266 A313 A314 | D261-L264 HydrophobicContact CB-CB 4.12Å; D261-L264 HydrophobicContact CB-CD1 3.89Å; D261-L264 HydrophobicContact CB-CG 3.97Å; D261-L264 PolarHBondContact O-N 2.8Å; D261-L264 VanDerWaalsContact O-N 3.16Å; L264-T266 PolarHBondContact O-N 3.13Å; L264-A313 HydrophobicContact CB-CB 4.23Å; L264-A313 WeakPolarHBondContact CD1-O 3.2Å; L264-A314 HydrophobicContact CB-CB 4.25Å |
| 265 | V | 80.3 | Confident | 74.4 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | trans | -77.6 | 116.6 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | V309 A311 A314 F358 V363 | V265-V309 HydrophobicContact CG1-CG1 3.5Å; V265-A311 HydrophobicContact CG1-CB 4.2Å; V265-A311 HydrophobicContact CG2-CB 4.06Å; V265-A314 HydrophobicContact CB-CB 4.41Å; V265-A314 HydrophobicContact CG2-CB 3.38Å; V265-F358 HydrophobicContact CG2-CB 4.18Å; V265-F358 HydrophobicContact CG2-CD1 3.84Å; V265-F358 HydrophobicContact CG2-CD2 4.05Å; V265-F358 HydrophobicContact CG2-CE1 4.15Å; V265-F358 HydrophobicContact CG2-CE2 4.36Å; V265-F358 HydrophobicContact CG2-CG 3.77Å; V265-F358 HydrophobicContact CG2-CZ 4.41Å; V265-V363 HydrophobicContact CB-CG1 3.83Å; V265-V363 HydrophobicContact CB-CG2 4.14Å; V265-V363 HydrophobicContact CG1-CG1 3.69Å; V265-V363 HydrophobicContact CG1-CG2 3.96Å; V265-V363 HydrophobicContact CG2-CG2 4.37Å | ||
| 266 | T | 79.8 | Confident | 73 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.6 | -179.9 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | L264 D310 | L264-T266 PolarHBondContact O-N 3.13Å; T266-D310 PolarHBondContact N-O 2.77Å; T266-D310 PolarHBondContact O-N 3.01Å |
| 267 | V | 77.6 | Confident | 71.3 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138 | -178.6 | -168 | 0 | 0 | 0 | 0 | 110.8 | L270 I307 L308 V309 M356 V363 V365 | V267-L270 HydrophobicContact CB-CD1 4Å; V267-L270 HydrophobicContact CG1-CD1 3.56Å; V267-L270 HydrophobicContact CG1-CD2 3.96Å; V267-L270 HydrophobicContact CG1-CG 3.75Å; V267-I307 HydrophobicContact CG1-CG2 3.54Å; V267-L308 CarbonylContact C-O 3.52Å; V267-L308 WeakPolarHBondContact CA-O 3.25Å; V267-V309 HydrophobicContact CG1-CG2 4.15Å; V267-V309 HydrophobicContact CG2-CG1 4.33Å; V267-V309 HydrophobicContact CG2-CG2 4.34Å; V267-M356 HydrophobicContact CG1-CE 4.1Å; V267-M356 HydrophobicContact CG1-SD 3.88Å; V267-M356 HydrophobicContact CG2-SD 3.77Å; V267-V363 HydrophobicContact CG2-CG1 3.8Å; V267-V365 HydrophobicContact CB-CG1 4.43Å; V267-V365 HydrophobicContact CB-CG2 4.28Å; V267-V365 HydrophobicContact CG2-CG2 3.82Å |
| 268 | R | 71.8 | Confident | 69.6 | Low | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.3 | -174.9 | -53.9 | -174.5 | -164.7 | 176.3 | 11.3 | 110.9 | L270 I307 L308 D310 | R268-L270 PolarHBondContact O-N 2.89Å; R268-I307 WeakPolarHBondContact O-CG2 3.25Å; R268-L308 HydrophobicContact CB-CB 4.11Å; R268-L308 PolarHBondContact N-O 2.88Å; R268-L308 PolarHBondContact O-N 2.94Å; R268-D310 IonicContact NH2-OD2 3.95Å |
| 269 | N | 70.2 | Confident | 68.2 | Low | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | trans | 59 | 21 | -176.9 | -62 | 2 | 0 | 0 | 0 | 115.5 | C306 | N269-C306 VanDerWaalsContact CB-O 3.25Å; N269-C306 WeakPolarHBondContact CB-O 3.33Å | ||
| 270 | L | 67.7 | Low | 66.4 | Low | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | trans | -63 | 124.2 | 167.9 | -66.3 | 157.5 | 0 | 0 | 0 | 109.3 | V267 R268 K272 I307 V365 V371 F373 | V267-L270 HydrophobicContact CB-CD1 4Å; V267-L270 HydrophobicContact CG1-CD1 3.56Å; V267-L270 HydrophobicContact CG1-CD2 3.96Å; V267-L270 HydrophobicContact CG1-CG 3.75Å; R268-L270 PolarHBondContact O-N 2.89Å; L270-K272 PolarHBondContact O-N 3.17Å; L270-I307 HydrophobicContact CD2-CD1 3.86Å; L270-I307 HydrophobicContact CD2-CG1 4.06Å; L270-I307 HydrophobicContact CD2-CG2 3.69Å; L270-I307 HydrophobicContact CG-CG2 4.06Å; L270-V365 HydrophobicContact CD1-CG1 3.29Å; L270-V371 HydrophobicContact CD1-CG1 4.48Å; L270-V371 HydrophobicContact CD1-CG2 4.2Å; L270-V371 HydrophobicContact CD2-CB 4.29Å; L270-V371 HydrophobicContact CD2-CG1 4.27Å; L270-V371 HydrophobicContact CD2-CG2 4.03Å; L270-F373 HydrophobicContact CB-CE1 4.46Å; L270-F373 HydrophobicContact CB-CZ 4.36Å; L270-F373 HydrophobicContact CD2-CZ 3.92Å | ||
| 271 | P | 59.1 | Low | 64.4 | Low | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | trans | -70.4 | 123.2 | -177.3 | 29.5 | -35.6 | 0 | 0 | 0 | 109.7 | Q273 I274 F285 I305 F373 | P271-Q273 PolarHBondContact O-N 2.95Å; P271-I274 HydrophobicContact CB-CG1 4.49Å; P271-I274 HydrophobicContact CG-CG1 4.3Å; P271-F285 HydrophobicContact CB-CE1 4.36Å; P271-F285 HydrophobicContact CB-CE2 4.21Å; P271-F285 HydrophobicContact CB-CZ 3.63Å; P271-I305 HydrophobicContact CG-CD1 4.28Å; P271-I305 HydrophobicContact CG-CG2 3.93Å; P271-F373 HydrophobicContact CG-CD1 3.95Å; P271-F373 HydrophobicContact CG-CE1 3.83Å; P271-F373 HydrophobicContact CG-CG 4.32Å; P271-F373 HydrophobicContact CG-CZ 4.13Å; P271-F373 WeakPolarHBondContact O-CD1 3.37Å; P271-F373 WeakPolarHBondContact O-CE1 3.21Å | ||
| 272 | K | 55.6 | Low | 61.9 | Low | 172 Ų | 172 | 60.5 Ų | 60.5 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -66.4 | -26.6 | -176.2 | -67.9 | -167 | 174.4 | -169.7 | 0 | 113.9 | L270 I390 | L270-K272 PolarHBondContact O-N 3.17Å; K272-I390 HydrophobicContact CD-CD1 4.38Å |
| 273 | Q | 56.5 | Low | 60 | Low | 113 Ų | 113 | 62.2 Ų | 62.2 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | trans | -149.7 | 152 | 168.7 | -69.5 | 178.4 | -41.6 | 0 | 0 | 106.7 | P271 V376 | P271-Q273 PolarHBondContact O-N 2.95Å; Q273-V376 HydrophobicContact CB-CG2 4.3Å; Q273-V376 HydrophobicContact CG-CG2 4.2Å | ||
| 274 | I | 57.3 | Low | 57.7 | Low | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.3 | 161.1 | -56.2 | 172 | 0 | 0 | 0 | 104.8 | P271 D278 I305 F344 P346 Y352 F373 V375 V376 | P271-I274 HydrophobicContact CB-CG1 4.49Å; P271-I274 HydrophobicContact CG-CG1 4.3Å; I274-D278 HydrophobicContact CG2-CB 4.11Å; I274-I305 HydrophobicContact CD1-CD1 3.54Å; I274-I305 HydrophobicContact CG1-CD1 3.78Å; I274-F344 HydrophobicContact CD1-CZ 4.49Å; I274-P346 HydrophobicContact CD1-CB 4.18Å; I274-P346 HydrophobicContact CG2-CB 4.2Å; I274-P346 HydrophobicContact CG2-CG 4.12Å; I274-Y352 HydrophobicContact CD1-CD2 4.01Å; I274-Y352 HydrophobicContact CD1-CG 4.39Å; I274-F373 HydrophobicContact CD1-CB 3.88Å; I274-F373 HydrophobicContact CD1-CG 4.44Å; I274-F373 HydrophobicContact CG1-CB 4.1Å; I274-V375 HydrophobicContact CB-CG2 4.27Å; I274-V375 HydrophobicContact CG2-CG2 4.08Å; I274-V375 CarbonylContact O-C 3.57Å; I274-V375 VanDerWaalsContact O-CA 3.29Å; I274-V375 WeakPolarHBondContact O-CA 3.23Å; I274-V376 PolarHBondContact O-N 2.71Å |
| 275 | K | 51.1 | Low | 55.4 | Low | 108 Ų | 108 | 63 Ų | 63 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 159.1 | 177.1 | -57 | 176.4 | 178.6 | -176.8 | 0 | 110.6 | S277 D278 | K275-S277 VanDerWaalsContact CB-OG 3.26Å; K275-S277 WeakPolarHBondContact CB-OG 3.39Å; K275-S277 PolarHBondContact O-N 3.02Å; K275-D278 HydrophobicContact CB-CB 4.37Å; K275-D278 WeakPolarHBondContact CB-OD2 3.35Å; K275-D278 PolarHBondContact N-OD2 3.01Å; K275-D278 WeakPolarHBondContact O-CA 3.31Å; K275-D278 WeakPolarHBondContact O-CB 3.2Å; K275-D278 PolarHBondContact O-N 3.38Å |
| 276 | H | 58.2 | Low | 52.8 | Low | 93 Ų | 93 | 70.5 Ų | 70.5 | 43% | 0.431 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.4 | 172 | -158.9 | -47.8 | 0 | 0 | 0 | 112.7 | D278 V375 V376 | H276-D278 VanDerWaalsContact C-N 3.26Å; H276-V375 HydrophobicContact CB-CG1 4.07Å; H276-V376 PolarHBondContact N-O 2.61Å |
| 277 | S | 49.3 | Very low | 50.4 | Low | 60 Ų | 60 | 72.2 Ų | 72.2 | 42% | 0.42 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.3 | 165.7 | 53.6 | 0 | 0 | 0 | 0 | 114 | K275 N281 | K275-S277 VanDerWaalsContact CB-OG 3.26Å; K275-S277 WeakPolarHBondContact CB-OG 3.39Å; K275-S277 PolarHBondContact O-N 3.02Å; S277-N281 WeakPolarHBondContact O-CB 3.28Å; S277-N281 PolarHBondContact O-ND2 3.35Å |
| 278 | D | 50.4 | Low | 47.8 | Very low | 26 Ų | 26 | 77.4 Ų | 77.4 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.4 | -166.5 | -58.5 | -5.7 | 0 | 0 | 0 | 112 | I274 K275 H276 G280 N281 V283 | I274-D278 HydrophobicContact CG2-CB 4.11Å; K275-D278 HydrophobicContact CB-CB 4.37Å; K275-D278 WeakPolarHBondContact CB-OD2 3.35Å; K275-D278 PolarHBondContact N-OD2 3.01Å; K275-D278 WeakPolarHBondContact O-CA 3.31Å; K275-D278 WeakPolarHBondContact O-CB 3.2Å; K275-D278 PolarHBondContact O-N 3.38Å; H276-D278 VanDerWaalsContact C-N 3.26Å; D278-G280 PolarHBondContact O-N 2.84Å; D278-N281 PolarHBondContact O-N 2.69Å; D278-V283 HydrophobicContact CB-CG2 3.53Å |
| 279 | L | 53.2 | Low | 45.7 | Very low | 28 Ų | 28 | 74.7 Ų | 74.7 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 124.5 | 172.1 | -75.8 | 178.3 | 0 | 0 | 0 | 111.2 | N281 P346 Q348 P349 V375 | L279-N281 PolarHBondContact O-N 2.78Å; L279-P346 HydrophobicContact CD2-CB 4.07Å; L279-Q348 WeakPolarHBondContact CD2-O 3.22Å; L279-P349 HydrophobicContact CD1-CB 3.83Å; L279-P349 HydrophobicContact CD1-CG 4.37Å; L279-V375 HydrophobicContact CD1-CG1 3.87Å; L279-V375 HydrophobicContact CD2-CG1 4.25Å; L279-V375 HydrophobicContact CD2-CG2 4.03Å; L279-V375 HydrophobicContact CG-CG1 3.87Å |
| 280 | G | 48.9 | Very low | 43.5 | Very low | 45 Ų | 45 | 79.2 Ų | 79.2 | 46% | 0.464 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D278 P346 | D278-G280 PolarHBondContact O-N 2.84Å; G280-P346 PolarHBondContact N-O 3.34Å; G280-P346 VanDerWaalsContact N-O 3.15Å |
| 281 | N | 39 | Very low | 41.5 | Very low | 37 Ų | 37 | 82.6 Ų | 82.6 | 20% | 0.198 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -118.3 | 148.2 | -173.2 | -86 | -41.3 | 0 | 0 | 0 | 111.6 | S277 D278 L279 V283 | S277-N281 WeakPolarHBondContact O-CB 3.28Å; S277-N281 PolarHBondContact O-ND2 3.35Å; D278-N281 PolarHBondContact O-N 2.69Å; L279-N281 PolarHBondContact O-N 2.78Å; N281-V283 PolarHBondContact O-N 3.46Å |
| 282 | P | 35.5 | Very low | 39.8 | Very low | 33 Ų | 33 | 93.4 Ų | 93.4 | 21% | 0.214 | 50% | 0.499 | C | S | . | . | trans | -75.2 | 100.1 | -175.3 | 30.1 | -36.2 | 0 | 0 | 0 | 112.9 | R302 T1304 | P282-R302 HydrophobicContact CB-CB 3.79Å; P282-R302 HydrophobicContact CB-CG 4.03Å; P282-R302 HydrophobicContact CG-CB 4.41Å; P282-T1304 HydrophobicContact CG-CG2 4.2Å | ||
| 283 | V | 36.6 | Very low | 38.5 | Very low | 47 Ų | 47 | 89.7 Ų | 89.7 | 29% | 0.285 | 49% | 0.49 | S | S | . | . | trans | -75.6 | 122.9 | 176.8 | -161.3 | 0 | 0 | 0 | 0 | 111.5 | D278 N281 F285 | D278-V283 HydrophobicContact CB-CG2 3.53Å; N281-V283 PolarHBondContact O-N 3.46Å; V283-F285 HydrophobicContact CB-CE2 4.13Å; V283-F285 HydrophobicContact CG1-CD2 4.11Å; V283-F285 HydrophobicContact CG1-CE1 4.22Å; V283-F285 HydrophobicContact CG1-CE2 3.59Å; V283-F285 HydrophobicContact CG1-CZ 3.65Å | ||
| 284 | S | 31.2 | Very low | 37.1 | Very low | 107 Ų | 107 | 93.9 Ų | 93.9 | 75% | 0.748 | 51% | 0.507 | S | S | * | . | trans | -108.3 | 100.9 | 173.4 | 48.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 285 | F | 33.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 101.8 Ų | 101.8 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | trans | -77.2 | 124.8 | 171.4 | -65.4 | -79.1 | 0 | 0 | 0 | 110.1 | P271 V283 I287 | P271-F285 HydrophobicContact CB-CE1 4.36Å; P271-F285 HydrophobicContact CB-CE2 4.21Å; P271-F285 HydrophobicContact CB-CZ 3.63Å; V283-F285 HydrophobicContact CB-CE2 4.13Å; V283-F285 HydrophobicContact CG1-CD2 4.11Å; V283-F285 HydrophobicContact CG1-CE1 4.22Å; V283-F285 HydrophobicContact CG1-CE2 3.59Å; V283-F285 HydrophobicContact CG1-CZ 3.65Å; F285-I287 VanDerWaalsContact C-N 3.35Å; F285-I287 PolarHBondContact O-N 3.4Å | ||
| 286 | N | 27.3 | Very low | 34.8 | Very low | 165 Ų | 165 | 100.4 Ų | 100.4 | 88% | 0.882 | 54% | 0.544 | S | S | * | . | trans | -71.5 | 85.8 | 175.8 | -84.4 | -40.4 | 0 | 0 | 0 | 111.2 | V288 | N286-V288 PolarHBondContact O-N 3.5Š| ||
| 287 | I | 28.4 | Very low | 33.4 | Very low | 95 Ų | 95 | 101 Ų | 101 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -76 | 114.7 | 171.3 | -58.2 | 177.1 | 0 | 0 | 0 | 108.7 | F285 V289 | F285-I287 VanDerWaalsContact C-N 3.35Å; F285-I287 PolarHBondContact O-N 3.4Å; I287-V289 HydrophobicContact CB-CG2 4.4Å; I287-V289 HydrophobicContact CG2-CG2 3.8Å; I287-V289 PolarHBondContact O-N 3.27Å | ||
| 288 | V | 24 | Very low | 32.4 | Very low | 138 Ų | 138 | 102.2 Ų | 102.2 | 84% | 0.836 | 57% | 0.571 | S | S | * | * | trans | -74.8 | 90.8 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | N286 L290 | N286-V288 PolarHBondContact O-N 3.5Å; V288-L290 PolarHBondContact O-N 2.86Å | ||
| 289 | V | 26.3 | Very low | 31.3 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | trans | -73.6 | 97.1 | 178.9 | -179 | 0 | 0 | 0 | 0 | 109.8 | I287 | I287-V289 HydrophobicContact CB-CG2 4.4Å; I287-V289 HydrophobicContact CG2-CG2 3.8Å; I287-V289 PolarHBondContact O-N 3.27Å | ||
| 290 | L | 24.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 110 Ų | 110 | 85% | 0.848 | 62% | 0.615 | S | S | * | * | trans | -61.7 | 143.2 | 151.8 | -79.9 | 169.7 | 0 | 0 | 0 | 108.5 | V288 W292 | V288-L290 PolarHBondContact O-N 2.86Å; L290-W292 PolarHBondContact O-N 3.14Å | ||
| 291 | S | 25.1 | Very low | 29.1 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -60.9 | 103.9 | -163.5 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 292 | W | 23.9 | Very low | 29 | Very low | 230 Ų | 230 | 115.5 Ų | 115.5 | 87% | 0.871 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -174.9 | 166.5 | 137.6 | -100.1 | 35 | 0 | 0 | 0 | 106.7 | L290 | L290-W292 PolarHBondContact O-N 3.14Š|
| 293 | V | 28.1 | Very low | 29.6 | Very low | 93 Ų | 93 | 115.9 Ų | 115.9 | 56% | 0.564 | 64% | 0.64 | S | S | * | * | trans | 63 | 93.1 | -170.9 | -169.4 | 0 | 0 | 0 | 0 | 113.7 | V296 | V293-V296 HydrophobicContact CG1-CB 3.77Å; V293-V296 HydrophobicContact CG1-CG2 3.71Å | ||
| 294 | K | 26.6 | Very low | 30.4 | Very low | 201 Ų | 201 | 117 Ų | 117 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -113.8 | -6.7 | 170.2 | -132.4 | -179.6 | -175.6 | -176.1 | 0 | 114.5 | ||||
| 295 | E | 30.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 112.2 Ų | 112.2 | 79% | 0.79 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -102.5 | -25.5 | -171.8 | -65.1 | 177 | 127.8 | 0 | 0 | 113.8 | C297 | E295-C297 PolarHBondContact O-N 3.27Š|
| 296 | V | 30.3 | Very low | 33.7 | Very low | 79 Ų | 79 | 109.1 Ų | 109.1 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -72.3 | -29.6 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | V293 A298 | V293-V296 HydrophobicContact CG1-CB 3.77Å; V293-V296 HydrophobicContact CG1-CG2 3.71Å; V296-A298 PolarHBondContact O-N 3.21Å |
| 297 | C | 29 | Very low | 36.1 | Very low | 106 Ų | 106 | 101.3 Ų | 101.3 | 72% | 0.716 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -76.9 | 2.9 | -177.5 | -61.4 | 0 | 0 | 0 | 0 | 114.9 | E295 | E295-C297 PolarHBondContact O-N 3.27Š|
| 298 | A | 27.6 | Very low | 38.5 | Very low | 84 Ų | 84 | 99.5 Ų | 99.5 | 69% | 0.694 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -98.9 | -5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V296 | V296-A298 PolarHBondContact O-N 3.21Š|
| 299 | L | 27.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 93 Ų | 93 | 73% | 0.728 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -124.6 | 10 | -163.7 | -136.6 | 84.7 | 0 | 0 | 0 | 116.9 | ||
| 300 | V | 28.3 | Very low | 44.1 | Very low | 80 Ų | 80 | 91 Ų | 91 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | trans | -118.8 | 107.3 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | R302 | V300-R302 PolarHBondContact O-N 3.26Š| ||
| 301 | A | 27.1 | Very low | 46.8 | Very low | 81 Ų | 81 | 83.2 Ų | 83.2 | 67% | 0.669 | 45% | 0.454 | S | S | * | . | trans | -79.2 | 117.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S303 | A301-S303 PolarHBondContact O-N 2.91Š| ||
| 302 | R | 36.6 | Very low | 49.4 | Very low | 115 Ų | 115 | 81.2 Ų | 81.2 | 43% | 0.434 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 31.4 | 75.9 | 143.4 | -65.1 | 176.2 | 171.3 | 131.1 | -2 | 117.1 | P282 V300 T1304 E1305 | P282-R302 HydrophobicContact CB-CB 3.79Å; P282-R302 HydrophobicContact CB-CG 4.03Å; P282-R302 HydrophobicContact CG-CB 4.41Å; V300-R302 PolarHBondContact O-N 3.26Å; R302-T1304 WeakPolarHBondContact CD-O 3.45Å; R302-T1304 PolarHBondContact NE-O 2.81Å; R302-E1305 IonicContact CZ-OE1 3.96Å; R302-E1305 IonicContact CZ-OE2 2.68Å; R302-E1305 IonicContact NE-OE1 3.62Å; R302-E1305 IonicContact NH1-OE1 2.76Å; R302-E1305 PolarHBondContact NH1-OE1 2.85Å; R302-E1305 IonicContact NH1-OE2 3.38Å; R302-E1305 PolarHBondContact NH1-OE2 2.81Å |
| 303 | S | 48.3 | Very low | 51.9 | Low | 42 Ų | 42 | 73.2 Ų | 73.2 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 178 | -25.4 | 155.6 | -84.3 | 0 | 0 | 0 | 0 | 114.7 | A301 | A301-S303 PolarHBondContact O-N 2.91Š|
| 304 | H | 54 | Low | 54.1 | Low | 70 Ų | 70 | 68.8 Ų | 68.8 | 32% | 0.324 | 40% | 0.396 | S | S | . | . | trans | -98.6 | 142.6 | -164.9 | -58.9 | -109.5 | 0 | 0 | 0 | 113.6 | T343 F344 | H304-T343 HydrophobicContact CB-CG2 3.92Å; H304-F344 CarbonylContact C-O 3.56Å; H304-F344 WeakPolarHBondContact CA-O 3.42Å | ||
| 305 | I | 66 | Low | 56.1 | Low | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.1 | 161.9 | -69.9 | 174.9 | 0 | 0 | 0 | 108 | P271 I274 I307 T343 F344 P346 | P271-I305 HydrophobicContact CG-CD1 4.28Å; P271-I305 HydrophobicContact CG-CG2 3.93Å; I274-I305 HydrophobicContact CD1-CD1 3.54Å; I274-I305 HydrophobicContact CG1-CD1 3.78Å; I305-I307 HydrophobicContact CG2-CG1 4.28Å; I305-T343 WeakPolarHBondContact O-CA 3.37Å; I305-F344 HydrophobicContact CB-CD1 4.21Å; I305-F344 HydrophobicContact CB-CE1 3.77Å; I305-F344 HydrophobicContact CB-CZ 4.06Å; I305-F344 HydrophobicContact CD1-CE1 4.37Å; I305-F344 HydrophobicContact CD1-CE2 4.18Å; I305-F344 HydrophobicContact CD1-CZ 3.77Å; I305-F344 HydrophobicContact CG1-CZ 4.48Å; I305-F344 HydrophobicContact CG2-CD1 4.32Å; I305-F344 HydrophobicContact CG2-CE1 3.56Å; I305-F344 HydrophobicContact CG2-CZ 4.02Å; I305-F344 PolarHBondContact N-O 2.74Å; I305-F344 PolarHBondContact O-N 2.99Å; I305-P346 HydrophobicContact CD1-CB 4.37Å; I305-P346 HydrophobicContact CD1-CG 3.68Å; I305-P346 HydrophobicContact CG1-CG 4.3Å |
| 306 | C | 68.2 | Low | 57.9 | Low | 41 Ų | 41 | 52.8 Ų | 52.8 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.6 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | N269 A342 T343 | N269-C306 VanDerWaalsContact CB-O 3.25Å; N269-C306 WeakPolarHBondContact CB-O 3.33Å; C306-A342 WeakPolarHBondContact CA-O 3.47Å; C306-T343 HydrophobicContact CB-CG2 4.14Å; C306-T343 WeakPolarHBondContact SG-CG2 3.25Å |
| 307 | I | 77 | Confident | 59.5 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.6 | 172.9 | -58.4 | 162 | 0 | 0 | 0 | 108.5 | V267 R268 L270 I305 V341 A342 F344 I354 M356 | V267-I307 HydrophobicContact CG1-CG2 3.54Å; R268-I307 WeakPolarHBondContact O-CG2 3.25Å; L270-I307 HydrophobicContact CD2-CD1 3.86Å; L270-I307 HydrophobicContact CD2-CG1 4.06Å; L270-I307 HydrophobicContact CD2-CG2 3.69Å; L270-I307 HydrophobicContact CG-CG2 4.06Å; I305-I307 HydrophobicContact CG2-CG1 4.28Å; I307-V341 CarbonylContact O-C 3.53Å; I307-V341 WeakPolarHBondContact O-CA 2.96Å; I307-A342 HydrophobicContact CB-CB 4.42Å; I307-A342 PolarHBondContact N-O 2.75Å; I307-A342 PolarHBondContact O-N 3.49Å; I307-F344 HydrophobicContact CD1-CE1 4.09Å; I307-I354 HydrophobicContact CD1-CD1 3.4Å; I307-M356 HydrophobicContact CB-CE 4.49Å; I307-M356 HydrophobicContact CD1-CE 4.44Å; I307-M356 HydrophobicContact CG2-CE 3.71Å |
| 308 | L | 78.4 | Confident | 61.6 | Low | 57 Ų | 57 | 48.5 Ų | 48.5 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.9 | 174.5 | -89.9 | 161.8 | 0 | 0 | 0 | 109.2 | V267 R268 L335 Y340 V341 | V267-L308 CarbonylContact C-O 3.52Å; V267-L308 WeakPolarHBondContact CA-O 3.25Å; R268-L308 HydrophobicContact CB-CB 4.11Å; R268-L308 PolarHBondContact N-O 2.88Å; R268-L308 PolarHBondContact O-N 2.94Å; L308-L335 HydrophobicContact CD2-CD1 3.58Å; L308-Y340 WeakPolarHBondContact CA-O 3.43Å; L308-V341 HydrophobicContact CD2-CG2 3.84Å; L308-V341 HydrophobicContact CG-CG2 4.03Å |
| 309 | V | 83.8 | Confident | 63.9 | Low | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.2 | 171.3 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | V265 V267 L319 I321 A339 Y340 M356 | V265-V309 HydrophobicContact CG1-CG1 3.5Å; V267-V309 HydrophobicContact CG1-CG2 4.15Å; V267-V309 HydrophobicContact CG2-CG1 4.33Å; V267-V309 HydrophobicContact CG2-CG2 4.34Å; V309-L319 HydrophobicContact CB-CD2 4.07Å; V309-L319 HydrophobicContact CG1-CD1 4.16Å; V309-L319 HydrophobicContact CG1-CD2 3.65Å; V309-I321 HydrophobicContact CG2-CD1 3.84Å; V309-A339 CarbonylContact O-C 3.41Å; V309-A339 WeakPolarHBondContact O-CA 3.36Å; V309-Y340 PolarHBondContact N-O 3.03Å; V309-Y340 PolarHBondContact O-N 2.84Å; V309-M356 HydrophobicContact CG2-CE 3.64Å; V309-M356 HydrophobicContact CG2-SD 3.71Å |
| 310 | D | 84.3 | Confident | 66.1 | Low | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 102.1 | 177.6 | 178.4 | 1.5 | 0 | 0 | 0 | 108.6 | T266 R268 S312 | T266-D310 PolarHBondContact N-O 2.77Å; T266-D310 PolarHBondContact O-N 3.01Å; R268-D310 IonicContact NH2-OD2 3.95Å; D310-S312 VanDerWaalsContact OD1-CB 3.23Å; D310-S312 WeakPolarHBondContact OD1-CB 3.21Å; D310-S312 PolarHBondContact OD1-N 3.06Å; D310-S312 VanDerWaalsContact OD1-N 3.08Å; D310-S312 PolarHBondContact OD1-OG 3.03Å |
| 311 | A | 82.2 | Confident | 68.6 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -102 | 18 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V265 A313 A314 R338 Y340 F358 | V265-A311 HydrophobicContact CG1-CB 4.2Å; V265-A311 HydrophobicContact CG2-CB 4.06Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.98Å; A311-A314 HydrophobicContact CB-CB 4.19Å; A311-A314 WeakPolarHBondContact O-CB 3.45Å; A311-A314 PolarHBondContact O-N 3.21Å; A311-A314 VanDerWaalsContact O-N 3.12Å; A311-R338 HydrophobicContact CB-CB 4.26Å; A311-R338 PolarHBondContact N-O 2.67Å; A311-Y340 HydrophobicContact CB-CE2 4.4Å; A311-F358 HydrophobicContact CB-CE2 4.17Å; A311-F358 HydrophobicContact CB-CZ 4.41Å | ||
| 312 | S | 78.4 | Confident | 70.6 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 47% | 0.469 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -62.4 | -33.7 | -177.3 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | D310 Q337 | D310-S312 VanDerWaalsContact OD1-CB 3.23Å; D310-S312 WeakPolarHBondContact OD1-CB 3.21Å; D310-S312 PolarHBondContact OD1-N 3.06Å; D310-S312 VanDerWaalsContact OD1-N 3.08Å; D310-S312 PolarHBondContact OD1-OG 3.03Å; S312-Q337 VanDerWaalsContact CB-O 3.29Å; S312-Q337 WeakPolarHBondContact CB-O 3.33Å |
| 313 | A | 77.1 | Confident | 72.2 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 51% | 0.512 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -82.6 | -17.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L264 A311 G315 | L264-A313 HydrophobicContact CB-CB 4.23Å; L264-A313 WeakPolarHBondContact CD1-O 3.2Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 2.98Å; A313-G315 PolarHBondContact O-N 3.22Å |
| 314 | A | 74.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -78.4 | 2.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G260 D261 L264 V265 A311 F358 | G260-A314 CarbonylContact C-O 3.34Å; G260-A314 WeakPolarHBondContact CA-O 3.3Å; D261-A314 PolarHBondContact N-O 3.36Å; D261-A314 VanDerWaalsContact O-CB 3.3Å; D261-A314 WeakPolarHBondContact O-CB 3.23Å; L264-A314 HydrophobicContact CB-CB 4.25Å; V265-A314 HydrophobicContact CB-CB 4.41Å; V265-A314 HydrophobicContact CG2-CB 3.38Å; A311-A314 HydrophobicContact CB-CB 4.19Å; A311-A314 WeakPolarHBondContact O-CB 3.45Å; A311-A314 PolarHBondContact O-N 3.21Å; A311-A314 VanDerWaalsContact O-N 3.12Å; A314-F358 HydrophobicContact CB-CD1 4.36Å; A314-F358 HydrophobicContact CB-CE1 3.65Å; A314-F358 HydrophobicContact CB-CZ 3.91Å |
| 315 | G | 68.7 | Low | 74 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | 68.8 | -141 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A313 R338 | A313-G315 PolarHBondContact O-N 3.22Å; G315-R338 WeakPolarHBondContact O-CD 3.31Å; G315-R338 PolarHBondContact O-NE 2.89Å |
| 316 | S | 67 | Low | 73.6 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -112.3 | 122.4 | -172.9 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | N258 V259 G260 | N258-S316 CarbonylContact C-O 3.58Å; N258-S316 WeakPolarHBondContact CA-OG 3.35Å; N258-S316 WeakPolarHBondContact CB-OG 3.43Å; N258-S316 VanDerWaalsContact O-O 3.08Å; N258-S316 WeakPolarHBondContact OD1-CB 3.3Å; N258-S316 PolarHBondContact OD1-OG 3.32Å; V259-S316 CarbonylContact C-O 3.47Å; V259-S316 PolarHBondContact N-O 2.83Å; V259-S316 PolarHBondContact O-N 2.87Å; G260-S316 PolarHBondContact N-O 3.4Å |
| 317 | G | 65.5 | Low | 73.1 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | -171.1 | 159.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R338 F358 N359 | G317-R338 VanDerWaalsContact N-NH2 3.19Å; G317-R338 PolarHBondContact O-NH2 3.09Å; G317-F358 VanDerWaalsContact O-CE2 3.3Å; G317-F358 WeakPolarHBondContact O-CE2 3.25Å; G317-N359 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 318 | N | 72 | Confident | 72.3 | Confident | 91 Ų | 91 | 46.3 Ų | 46.3 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | trans | -74.7 | 125 | 174.5 | -75.2 | -20.8 | 0 | 0 | 0 | 109.5 | F358 N359 | N318-F358 CarbonylContact O-C 3.5Å; N318-F358 VanDerWaalsContact O-CA 3.31Å; N318-F358 WeakPolarHBondContact O-CA 3.28Å; N318-N359 PolarHBondContact N-OD1 3.23Å; N318-N359 PolarHBondContact O-N 3.37Å | ||
| 319 | L | 76.3 | Confident | 71.5 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.5 | 172.9 | 178.9 | 69.6 | 0 | 0 | 0 | 109.4 | V309 I321 Y340 T357 F358 V363 | V309-L319 HydrophobicContact CB-CD2 4.07Å; V309-L319 HydrophobicContact CG1-CD1 4.16Å; V309-L319 HydrophobicContact CG1-CD2 3.65Å; L319-I321 HydrophobicContact CD2-CD1 4.17Å; L319-I321 HydrophobicContact CG-CD1 4.41Å; L319-I321 HydrophobicContact CG-CG1 4.26Å; L319-Y340 HydrophobicContact CD2-CD2 3.39Å; L319-Y340 HydrophobicContact CD2-CE2 3.77Å; L319-Y340 HydrophobicContact CD2-CG 3.95Å; L319-T357 WeakPolarHBondContact CA-O 3.31Å; L319-F358 HydrophobicContact CB-CD2 3.9Å; L319-F358 HydrophobicContact CB-CE2 4.17Å; L319-F358 HydrophobicContact CD1-CD2 4.06Å; L319-V363 HydrophobicContact CD1-CG2 4.24Å |
| 320 | E | 75 | Confident | 71 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.1 | 172.5 | -79.2 | 174.1 | 150.3 | 0 | 0 | 110.2 | M356 T357 | E320-M356 WeakPolarHBondContact O-CA 3.49Å; E320-T357 VanDerWaalsContact CB-OG1 3.28Å; E320-T357 WeakPolarHBondContact CB-OG1 3.37Å; E320-T357 PolarHBondContact N-O 3.46Å; E320-T357 PolarHBondContact O-N 2.95Å; E320-T357 PolarHBondContact OE2-OG1 2.85Å; E320-T357 VanDerWaalsContact OE2-OG1 3.13Å |
| 321 | I | 78.9 | Confident | 70.4 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 108.2 | 179.1 | -54.9 | 176.7 | 0 | 0 | 0 | 108.4 | V309 L319 V332 A342 I354 R355 M356 | V309-I321 HydrophobicContact CG2-CD1 3.84Å; L319-I321 HydrophobicContact CD2-CD1 4.17Å; L319-I321 HydrophobicContact CG-CD1 4.41Å; L319-I321 HydrophobicContact CG-CG1 4.26Å; I321-V332 HydrophobicContact CB-CG2 4.12Å; I321-V332 HydrophobicContact CD1-CG1 4.32Å; I321-V332 HydrophobicContact CD1-CG2 4.13Å; I321-V332 HydrophobicContact CG1-CG2 4.49Å; I321-A342 HydrophobicContact CD1-CB 3.76Å; I321-A342 HydrophobicContact CG2-CB 4.08Å; I321-I354 HydrophobicContact CG2-CG2 4.19Å; I321-R355 WeakPolarHBondContact CA-O 3.17Å; I321-M356 HydrophobicContact CD1-CE 4.15Å; I321-M356 HydrophobicContact CG1-CE 4.35Å; I321-M356 HydrophobicContact CG1-CG 4.22Å; I321-M356 HydrophobicContact CG2-CE 3.86Å; I321-M356 HydrophobicContact CG2-CG 4.23Å |
| 322 | M | 69.2 | Low | 69.8 | Low | 67 Ų | 67 | 58.3 Ų | 58.3 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.3 | -176.7 | -59.5 | 178.1 | 79.8 | 0 | 0 | 110.1 | I354 R355 | M322-I354 WeakPolarHBondContact O-CA 3.04Å; M322-R355 HydrophobicContact CB-CB 4.16Å; M322-R355 PolarHBondContact N-O 2.8Å; M322-R355 PolarHBondContact O-N 2.68Å |
| 323 | V | 72.1 | Confident | 69.3 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123 | 174.5 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | E325 G326 R327 V328 C330 F344 Y352 V353 I354 | V323-E325 PolarHBondContact O-N 2.79Å; V323-G326 CarbonylContact O-C 3.43Å; V323-G326 PolarHBondContact O-N 3.26Å; V323-G326 VanDerWaalsContact O-N 3.07Å; V323-R327 PolarHBondContact O-N 2.95Å; V323-V328 HydrophobicContact CB-CB 3.83Å; V323-V328 HydrophobicContact CB-CG1 4.01Å; V323-V328 HydrophobicContact CG1-CB 3.65Å; V323-V328 HydrophobicContact CG1-CG1 3.63Å; V323-V328 HydrophobicContact CG1-CG2 4.33Å; V323-V328 PolarHBondContact O-N 2.84Å; V323-V328 VanDerWaalsContact O-N 3.11Å; V323-C330 HydrophobicContact CG2-CB 3.96Å; V323-F344 HydrophobicContact CG1-CD2 4.14Å; V323-F344 HydrophobicContact CG1-CE2 4.25Å; V323-F344 HydrophobicContact CG1-CG 4.45Å; V323-F344 HydrophobicContact CG2-CD1 4.28Å; V323-F344 HydrophobicContact CG2-CG 4.28Å; V323-Y352 HydrophobicContact CG1-CD1 3.92Å; V323-V353 WeakPolarHBondContact CA-O 3.42Å; V323-I354 HydrophobicContact CB-CG1 4.41Å; V323-I354 HydrophobicContact CG1-CD1 4.44Å; V323-I354 HydrophobicContact CG1-CG1 4.01Å; V323-I354 HydrophobicContact CG2-CD1 4.03Å; V323-I354 HydrophobicContact CG2-CG1 3.97Å |
| 324 | N | 72.9 | Confident | 69.1 | Low | 28 Ų | 28 | 63.7 Ų | 63.7 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 52.2 | -170.9 | -71.3 | 5.1 | 0 | 0 | 0 | 113.2 | G326 R327 V328 T351 Y352 V353 | N324-G326 PolarHBondContact O-N 3.23Å; N324-R327 HydrophobicContact CB-CB 4.17Å; N324-R327 VanDerWaalsContact O-CB 3.24Å; N324-R327 WeakPolarHBondContact O-CB 3.08Å; N324-R327 VanDerWaalsContact O-CG 3.29Å; N324-R327 WeakPolarHBondContact O-CG 3.33Å; N324-R327 PolarHBondContact O-N 2.94Å; N324-V328 HydrophobicContact CB-CG2 3.98Å; N324-T351 PolarHBondContact ND2-O 2.69Å; N324-T351 PolarHBondContact OD1-O 2.92Å; N324-Y352 VanDerWaalsContact OD1-CA 3.31Å; N324-Y352 WeakPolarHBondContact OD1-CA 3.43Å; N324-V353 PolarHBondContact N-O 2.8Å; N324-V353 PolarHBondContact OD1-N 3.25Å; N324-V353 PolarHBondContact OD1-O 3.48Å |
| 325 | E | 66.3 | Low | 68.8 | Low | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.7 | -176.1 | -56.5 | -66.4 | -176.3 | 0 | 0 | 112.8 | V323 R327 R355 S462 H463 | V323-E325 PolarHBondContact O-N 2.79Å; E325-R327 VanDerWaalsContact C-N 3.34Å; E325-R327 PolarHBondContact O-N 3.42Å; E325-R355 IonicContact OE1-CZ 2.71Å; E325-R355 IonicContact OE1-NE 3.03Å; E325-R355 IonicContact OE1-NH1 2.68Å; E325-R355 PolarHBondContact OE1-NH1 2.82Å; E325-R355 IonicContact OE2-NH1 3.17Å; E325-S462 WeakPolarHBondContact OE1-CB 3.31Å; E325-S462 PolarHBondContact OE1-OG 3.03Å; E325-H463 IonicContact OE1-CD2 3.56Å; E325-H463 IonicContact OE2-CD2 2.66Å |
| 326 | G | 56.6 | Low | 68.6 | Low | 46 Ų | 46 | 66.7 Ų | 66.7 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -8.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V323 N324 V328 | V323-G326 CarbonylContact O-C 3.43Å; V323-G326 PolarHBondContact O-N 3.26Å; V323-G326 VanDerWaalsContact O-N 3.07Å; N324-G326 PolarHBondContact O-N 3.23Å; G326-V328 PolarHBondContact O-N 2.87Å |
| 327 | R | 58.8 | Low | 69 | Low | 228 Ų | 228 | 74.4 Ų | 74.4 | 86% | 0.86 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.4 | 178.1 | -64.4 | 178.5 | 175.3 | -167.1 | -2.7 | 113.9 | V323 N324 E325 | V323-R327 PolarHBondContact O-N 2.95Å; N324-R327 HydrophobicContact CB-CB 4.17Å; N324-R327 VanDerWaalsContact O-CB 3.24Å; N324-R327 WeakPolarHBondContact O-CB 3.08Å; N324-R327 VanDerWaalsContact O-CG 3.29Å; N324-R327 WeakPolarHBondContact O-CG 3.33Å; N324-R327 PolarHBondContact O-N 2.94Å; E325-R327 VanDerWaalsContact C-N 3.34Å; E325-R327 PolarHBondContact O-N 3.42Å |
| 328 | V | 60.6 | Low | 69.6 | Low | 26 Ų | 26 | 78 Ų | 78 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -115.3 | 116.6 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 108.7 | V323 N324 G326 C330 F344 Y352 | V323-V328 HydrophobicContact CB-CB 3.83Å; V323-V328 HydrophobicContact CB-CG1 4.01Å; V323-V328 HydrophobicContact CG1-CB 3.65Å; V323-V328 HydrophobicContact CG1-CG1 3.63Å; V323-V328 HydrophobicContact CG1-CG2 4.33Å; V323-V328 PolarHBondContact O-N 2.84Å; V323-V328 VanDerWaalsContact O-N 3.11Å; N324-V328 HydrophobicContact CB-CG2 3.98Å; G326-V328 PolarHBondContact O-N 2.87Å; V328-C330 PolarHBondContact O-N 2.97Å; V328-C330 VanDerWaalsContact O-N 3.16Å; V328-F344 HydrophobicContact CG1-CB 4.3Å; V328-F344 HydrophobicContact CG1-CD2 3.88Å; V328-F344 HydrophobicContact CG1-CG 4.46Å; V328-Y352 HydrophobicContact CB-CE1 4.38Å; V328-Y352 HydrophobicContact CG1-CD1 4.26Å; V328-Y352 HydrophobicContact CG1-CE1 3.91Å; V328-Y352 HydrophobicContact CG2-CD1 4.1Å; V328-Y352 HydrophobicContact CG2-CE1 3.66Å |
| 329 | H | 61.9 | Low | 69.7 | Low | 146 Ų | 146 | 74.8 Ų | 74.8 | 68% | 0.676 | 37% | 0.368 | S | S | * | . | trans | -63.4 | 115.6 | -173.1 | -174.9 | -65.2 | 0 | 0 | 0 | 112.2 | ||||
| 330 | C | 72.8 | Confident | 69.9 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -106.5 | 122.9 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | V323 V328 | V323-C330 HydrophobicContact CG2-CB 3.96Å; V328-C330 PolarHBondContact O-N 2.97Å; V328-C330 VanDerWaalsContact O-N 3.16Å | ||
| 331 | Q | 70.9 | Confident | 70.1 | Confident | 105 Ų | 105 | 70.6 Ų | 70.6 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 113.4 | 167.7 | -72.5 | -172.8 | -4.3 | 0 | 0 | 109.5 | A342 T343 | Q331-A342 CarbonylContact O-C 3.56Å; Q331-T343 PolarHBondContact N-O 2.93Å; Q331-T343 PolarHBondContact O-N 2.92Å; Q331-T343 PolarHBondContact O-OG1 2.68Å |
| 332 | V | 70.9 | Confident | 69.9 | Low | 72 Ų | 72 | 69.7 Ų | 69.7 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.7 | 170.5 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | I321 Y340 V341 A342 | I321-V332 HydrophobicContact CB-CG2 4.12Å; I321-V332 HydrophobicContact CD1-CG1 4.32Å; I321-V332 HydrophobicContact CD1-CG2 4.13Å; I321-V332 HydrophobicContact CG1-CG2 4.49Å; V332-Y340 HydrophobicContact CG1-CD1 4.45Å; V332-V341 CarbonylContact C-O 3.51Å; V332-V341 WeakPolarHBondContact CA-O 3.45Å; V332-A342 HydrophobicContact CG2-CB 4.28Å |
| 333 | R | 66.9 | Low | 70.1 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 121.6 | 179.6 | -179.9 | -179 | -74.3 | -179.4 | -2.6 | 109.9 | Y340 V341 | R333-Y340 WeakPolarHBondContact O-CA 3.27Å; R333-V341 PolarHBondContact N-O 2.87Å; R333-V341 PolarHBondContact O-N 2.75Å |
| 334 | D | 72.4 | Confident | 70.1 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.7 | 171.4 | -169 | -14.3 | 0 | 0 | 0 | 110.4 | G336 Y340 | D334-G336 WeakPolarHBondContact OD1-CA 3.32Å; D334-G336 PolarHBondContact OD1-N 3.23Å; D334-Y340 HydrophobicContact CB-CD1 3.94Å; D334-Y340 HydrophobicContact CB-CE1 3.94Å |
| 335 | L | 69.2 | Low | 70 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.335 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -12.6 | 178 | -56.8 | 174.4 | 0 | 0 | 0 | 111.8 | L308 A339 V341 | L308-L335 HydrophobicContact CD2-CD1 3.58Å; L335-A339 HydrophobicContact CB-CB 4.36Å; L335-A339 WeakPolarHBondContact CB-O 3.43Å; L335-A339 PolarHBondContact N-O 2.77Å; L335-V341 HydrophobicContact CD1-CB 4.22Å; L335-V341 HydrophobicContact CD1-CG2 4.22Å; L335-V341 HydrophobicContact CD2-CB 4.39Å; L335-V341 HydrophobicContact CG-CB 4.48Å |
| 336 | G | 64.4 | Low | 69.9 | Low | 19 Ų | 19 | 66.6 Ų | 66.6 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.7 | 157.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D334 R338 A339 | D334-G336 WeakPolarHBondContact OD1-CA 3.32Å; D334-G336 PolarHBondContact OD1-N 3.23Å; G336-R338 PolarHBondContact O-N 2.96Å; G336-A339 WeakPolarHBondContact O-CB 3Å; G336-A339 PolarHBondContact O-N 2.84Å |
| 337 | Q | 75.9 | Confident | 70.3 | Confident | 176 Ų | 176 | 68 Ų | 68 | 82% | 0.822 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 28.9 | 178.2 | -60.7 | -173.7 | -15.6 | 0 | 0 | 115.1 | S312 A339 | S312-Q337 VanDerWaalsContact CB-O 3.29Å; S312-Q337 WeakPolarHBondContact CB-O 3.33Å; Q337-A339 VanDerWaalsContact C-N 3.25Å; Q337-A339 PolarHBondContact O-N 3.19Å |
| 338 | R | 76.8 | Confident | 70.3 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 23.7 | -174.1 | -39.1 | -172.2 | 78 | 92.9 | 4.7 | 114.4 | A311 G315 G317 G336 Y340 | A311-R338 HydrophobicContact CB-CB 4.26Å; A311-R338 PolarHBondContact N-O 2.67Å; G315-R338 WeakPolarHBondContact O-CD 3.31Å; G315-R338 PolarHBondContact O-NE 2.89Å; G317-R338 VanDerWaalsContact N-NH2 3.19Å; G317-R338 PolarHBondContact O-NH2 3.09Å; G336-R338 PolarHBondContact O-N 2.96Å; R338-Y340 VanDerWaalsContact C-CE2 3.49Å; R338-Y340 HydrophobicContact CB-CE2 4.07Å; R338-Y340 WeakPolarHBondContact O-CD2 3.32Å; R338-Y340 WeakPolarHBondContact O-CE2 3.45Å |
| 339 | A | 74.9 | Confident | 70.4 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V309 L335 G336 Q337 | V309-A339 CarbonylContact O-C 3.41Å; V309-A339 WeakPolarHBondContact O-CA 3.36Å; L335-A339 HydrophobicContact CB-CB 4.36Å; L335-A339 WeakPolarHBondContact CB-O 3.43Å; L335-A339 PolarHBondContact N-O 2.77Å; G336-A339 WeakPolarHBondContact O-CB 3Å; G336-A339 PolarHBondContact O-N 2.84Å; Q337-A339 VanDerWaalsContact C-N 3.25Å; Q337-A339 PolarHBondContact O-N 3.19Å |
| 340 | Y | 81.2 | Confident | 70.4 | Confident | 36 Ų | 36 | 62 Ų | 62 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.9 | -175.9 | -54 | -88.1 | 0 | 0 | 0 | 110.2 | L308 V309 A311 L319 V332 R333 D334 R338 | L308-Y340 WeakPolarHBondContact CA-O 3.43Å; V309-Y340 PolarHBondContact N-O 3.03Å; V309-Y340 PolarHBondContact O-N 2.84Å; A311-Y340 HydrophobicContact CB-CE2 4.4Å; L319-Y340 HydrophobicContact CD2-CD2 3.39Å; L319-Y340 HydrophobicContact CD2-CE2 3.77Å; L319-Y340 HydrophobicContact CD2-CG 3.95Å; V332-Y340 HydrophobicContact CG1-CD1 4.45Å; R333-Y340 WeakPolarHBondContact O-CA 3.27Å; D334-Y340 HydrophobicContact CB-CD1 3.94Å; D334-Y340 HydrophobicContact CB-CE1 3.94Å; R338-Y340 VanDerWaalsContact C-CE2 3.49Å; R338-Y340 HydrophobicContact CB-CE2 4.07Å; R338-Y340 WeakPolarHBondContact O-CD2 3.32Å; R338-Y340 WeakPolarHBondContact O-CE2 3.45Å |
| 341 | V | 78.5 | Confident | 69.9 | Low | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.4 | 162.9 | 125.2 | 0 | 0 | 0 | 0 | 108.8 | I307 L308 V332 R333 L335 T343 | I307-V341 CarbonylContact O-C 3.53Å; I307-V341 WeakPolarHBondContact O-CA 2.96Å; L308-V341 HydrophobicContact CD2-CG2 3.84Å; L308-V341 HydrophobicContact CG-CG2 4.03Å; V332-V341 CarbonylContact C-O 3.51Å; V332-V341 WeakPolarHBondContact CA-O 3.45Å; R333-V341 PolarHBondContact N-O 2.87Å; R333-V341 PolarHBondContact O-N 2.75Å; L335-V341 HydrophobicContact CD1-CB 4.22Å; L335-V341 HydrophobicContact CD1-CG2 4.22Å; L335-V341 HydrophobicContact CD2-CB 4.39Å; L335-V341 HydrophobicContact CG-CB 4.48Å; V341-T343 HydrophobicContact CG1-CG2 4.25Å |
| 342 | A | 74.1 | Confident | 69.8 | Low | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | C306 I307 I321 Q331 V332 | C306-A342 WeakPolarHBondContact CA-O 3.47Å; I307-A342 HydrophobicContact CB-CB 4.42Å; I307-A342 PolarHBondContact N-O 2.75Å; I307-A342 PolarHBondContact O-N 3.49Å; I321-A342 HydrophobicContact CD1-CB 3.76Å; I321-A342 HydrophobicContact CG2-CB 4.08Å; Q331-A342 CarbonylContact O-C 3.56Å; V332-A342 HydrophobicContact CG2-CB 4.28Å |
| 343 | T | 73.3 | Confident | 69.7 | Low | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 121.5 | -171.4 | 18.2 | 0 | 0 | 0 | 0 | 112.1 | H304 I305 C306 Q331 V341 | H304-T343 HydrophobicContact CB-CG2 3.92Å; I305-T343 WeakPolarHBondContact O-CA 3.37Å; C306-T343 HydrophobicContact CB-CG2 4.14Å; C306-T343 WeakPolarHBondContact SG-CG2 3.25Å; Q331-T343 PolarHBondContact N-O 2.93Å; Q331-T343 PolarHBondContact O-N 2.92Å; Q331-T343 PolarHBondContact O-OG1 2.68Å; V341-T343 HydrophobicContact CG1-CG2 4.25Å |
| 344 | F | 73.6 | Confident | 70.1 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 164.1 | 175.1 | 75 | -77.8 | 0 | 0 | 0 | 110.6 | I274 H304 I305 I307 V323 V328 P346 Y352 I354 | I274-F344 HydrophobicContact CD1-CZ 4.49Å; H304-F344 CarbonylContact C-O 3.56Å; H304-F344 WeakPolarHBondContact CA-O 3.42Å; I305-F344 HydrophobicContact CB-CD1 4.21Å; I305-F344 HydrophobicContact CB-CE1 3.77Å; I305-F344 HydrophobicContact CB-CZ 4.06Å; I305-F344 HydrophobicContact CD1-CE1 4.37Å; I305-F344 HydrophobicContact CD1-CE2 4.18Å; I305-F344 HydrophobicContact CD1-CZ 3.77Å; I305-F344 HydrophobicContact CG1-CZ 4.48Å; I305-F344 HydrophobicContact CG2-CD1 4.32Å; I305-F344 HydrophobicContact CG2-CE1 3.56Å; I305-F344 HydrophobicContact CG2-CZ 4.02Å; I305-F344 PolarHBondContact N-O 2.74Å; I305-F344 PolarHBondContact O-N 2.99Å; I307-F344 HydrophobicContact CD1-CE1 4.09Å; V323-F344 HydrophobicContact CG1-CD2 4.14Å; V323-F344 HydrophobicContact CG1-CE2 4.25Å; V323-F344 HydrophobicContact CG1-CG 4.45Å; V323-F344 HydrophobicContact CG2-CD1 4.28Å; V323-F344 HydrophobicContact CG2-CG 4.28Å; V328-F344 HydrophobicContact CG1-CB 4.3Å; V328-F344 HydrophobicContact CG1-CD2 3.88Å; V328-F344 HydrophobicContact CG1-CG 4.46Å; F344-P346 HydrophobicContact CE2-CB 4.43Å; F344-Y352 HydrophobicContact CD2-CD1 4.33Å; F344-Y352 AromaticContact CE2-CD1 3.78Å; F344-Y352 HydrophobicContact CE2-CD1 3.78Å; F344-Y352 HydrophobicContact CE2-CE1 4.25Å; F344-Y352 HydrophobicContact CE2-CG 4.18Å; F344-I354 HydrophobicContact CD1-CD1 4.16Å; F344-I354 HydrophobicContact CE1-CD1 3.43Å; F344-I354 VanDerWaalsContact CE1-CD1 3.43Å; F344-I354 HydrophobicContact CZ-CD1 3.82Å |
| 345 | I | 70.7 | Confident | 70.1 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | trans | -111.3 | 123.9 | 175.4 | -58.3 | 173.9 | 0 | 0 | 0 | 108.1 | A347 | I345-A347 PolarHBondContact O-N 2.89Š| ||
| 346 | P | 62.8 | Low | 70.5 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | trans | -76.4 | 116.6 | 167.4 | 34.6 | -35.3 | 0 | 0 | 0 | 109.2 | I274 L279 G280 I305 F344 Y352 | I274-P346 HydrophobicContact CD1-CB 4.18Å; I274-P346 HydrophobicContact CG2-CB 4.2Å; I274-P346 HydrophobicContact CG2-CG 4.12Å; L279-P346 HydrophobicContact CD2-CB 4.07Å; G280-P346 PolarHBondContact N-O 3.34Å; G280-P346 VanDerWaalsContact N-O 3.15Å; I305-P346 HydrophobicContact CD1-CB 4.37Å; I305-P346 HydrophobicContact CD1-CG 3.68Å; I305-P346 HydrophobicContact CG1-CG 4.3Å; F344-P346 HydrophobicContact CE2-CB 4.43Å; P346-Y352 HydrophobicContact CB-CD2 4.34Å; P346-Y352 HydrophobicContact CB-CE2 3.75Å | ||
| 347 | A | 64.9 | Low | 71.2 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | trans | -118.2 | -10 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | I345 Y352 | I345-A347 PolarHBondContact O-N 2.89Å; A347-Y352 PolarHBondContact N-OH 2.69Å | ||
| 348 | Q | 60.5 | Low | 71.3 | Confident | 128 Ų | 128 | 36.5 Ų | 36.5 | 60% | 0.598 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -136.6 | 146.5 | -179 | -68.5 | 177.8 | -13.6 | 0 | 0 | 110.4 | L279 T350 Y352 | L279-Q348 WeakPolarHBondContact CD2-O 3.22Å; Q348-T350 HydrophobicContact CB-CG2 4.07Å; Q348-T350 PolarHBondContact O-N 3.26Å; Q348-Y352 PolarHBondContact N-OH 2.93Å; Q348-Y352 VanDerWaalsContact N-OH 3.09Å; Q348-Y352 WeakPolarHBondContact O-CE2 3.35Å; Q348-Y352 PolarHBondContact O-OH 2.77Å |
| 349 | P | 62.8 | Low | 71.1 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 57% | 0.571 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -74.6 | 64.8 | 175.4 | 32.2 | -35.2 | 0 | 0 | 0 | 111.2 | L279 V375 | L279-P349 HydrophobicContact CD1-CB 3.83Å; L279-P349 HydrophobicContact CD1-CG 4.37Å; P349-V375 HydrophobicContact CB-CG1 4.41Å |
| 350 | T | 61.7 | Low | 70.9 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 36% | 0.362 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -125.1 | 167.9 | -177.6 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | Q348 Y352 V375 | Q348-T350 HydrophobicContact CB-CG2 4.07Å; Q348-T350 PolarHBondContact O-N 3.26Å; T350-Y352 HydrophobicContact CG2-CD2 4.47Å; T350-Y352 HydrophobicContact CG2-CE2 3.96Å; T350-Y352 WeakPolarHBondContact O-CD2 3.43Å; T350-Y352 PolarHBondContact O-N 2.87Å; T350-V375 WeakPolarHBondContact O-CG2 2.95Å |
| 351 | T | 62.2 | Low | 70.5 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | trans | -72 | 124.6 | 171.5 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | N324 V353 T372 | N324-T351 PolarHBondContact ND2-O 2.69Å; N324-T351 PolarHBondContact OD1-O 2.92Å; T351-V353 HydrophobicContact CG2-CG2 4.1Å; T351-T372 HydrophobicContact CG2-CG2 3.31Å | ||
| 352 | Y | 67.5 | Low | 70.1 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 100.9 | 171 | -72.1 | -84.4 | 0 | 0 | 0 | 109.4 | I274 V323 N324 V328 F344 P346 A347 Q348 T350 F373 V375 | I274-Y352 HydrophobicContact CD1-CD2 4.01Å; I274-Y352 HydrophobicContact CD1-CG 4.39Å; V323-Y352 HydrophobicContact CG1-CD1 3.92Å; N324-Y352 VanDerWaalsContact OD1-CA 3.31Å; N324-Y352 WeakPolarHBondContact OD1-CA 3.43Å; V328-Y352 HydrophobicContact CB-CE1 4.38Å; V328-Y352 HydrophobicContact CG1-CD1 4.26Å; V328-Y352 HydrophobicContact CG1-CE1 3.91Å; V328-Y352 HydrophobicContact CG2-CD1 4.1Å; V328-Y352 HydrophobicContact CG2-CE1 3.66Å; F344-Y352 HydrophobicContact CD2-CD1 4.33Å; F344-Y352 AromaticContact CE2-CD1 3.78Å; F344-Y352 HydrophobicContact CE2-CD1 3.78Å; F344-Y352 HydrophobicContact CE2-CE1 4.25Å; F344-Y352 HydrophobicContact CE2-CG 4.18Å; P346-Y352 HydrophobicContact CB-CD2 4.34Å; P346-Y352 HydrophobicContact CB-CE2 3.75Å; A347-Y352 PolarHBondContact N-OH 2.69Å; Q348-Y352 PolarHBondContact N-OH 2.93Å; Q348-Y352 VanDerWaalsContact N-OH 3.09Å; Q348-Y352 WeakPolarHBondContact O-CE2 3.35Å; Q348-Y352 PolarHBondContact O-OH 2.77Å; T350-Y352 HydrophobicContact CG2-CD2 4.47Å; T350-Y352 HydrophobicContact CG2-CE2 3.96Å; T350-Y352 WeakPolarHBondContact O-CD2 3.43Å; T350-Y352 PolarHBondContact O-N 2.87Å; Y352-F373 PolarHBondContact N-O 3.23Å; Y352-F373 VanDerWaalsContact O-CD2 3.29Å; Y352-F373 WeakPolarHBondContact O-CD2 3.41Å; Y352-F373 PolarHBondContact O-N 3.15Å; Y352-V375 HydrophobicContact CD2-CG2 4Å; Y352-V375 HydrophobicContact CE2-CG2 3.84Å |
| 353 | V | 69.5 | Low | 70.1 | Confident | 48 Ų | 48 | 37.5 Ų | 37.5 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.8 | 169.8 | -177 | 0 | 0 | 0 | 0 | 108.3 | V323 N324 T351 N370 T372 | V323-V353 WeakPolarHBondContact CA-O 3.42Å; N324-V353 PolarHBondContact N-O 2.8Å; N324-V353 PolarHBondContact OD1-N 3.25Å; N324-V353 PolarHBondContact OD1-O 3.48Å; T351-V353 HydrophobicContact CG2-CG2 4.1Å; V353-N370 HydrophobicContact CG1-CB 4.18Å; V353-T372 HydrophobicContact CG2-CG2 4.24Å |
| 354 | I | 74.5 | Confident | 69.9 | Low | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.1 | 171.7 | -59.8 | -169.4 | 0 | 0 | 0 | 109.7 | I307 I321 M322 V323 F344 M356 V371 F373 | I307-I354 HydrophobicContact CD1-CD1 3.4Å; I321-I354 HydrophobicContact CG2-CG2 4.19Å; M322-I354 WeakPolarHBondContact O-CA 3.04Å; V323-I354 HydrophobicContact CB-CG1 4.41Å; V323-I354 HydrophobicContact CG1-CD1 4.44Å; V323-I354 HydrophobicContact CG1-CG1 4.01Å; V323-I354 HydrophobicContact CG2-CD1 4.03Å; V323-I354 HydrophobicContact CG2-CG1 3.97Å; F344-I354 HydrophobicContact CD1-CD1 4.16Å; F344-I354 HydrophobicContact CE1-CD1 3.43Å; F344-I354 VanDerWaalsContact CE1-CD1 3.43Å; F344-I354 HydrophobicContact CZ-CD1 3.82Å; I354-M356 HydrophobicContact CG2-CE 4.04Å; I354-M356 HydrophobicContact CG2-CG 4.15Å; I354-V371 PolarHBondContact N-O 2.85Å; I354-V371 PolarHBondContact O-N 2.64Å; I354-F373 HydrophobicContact CB-CE2 4.15Å; I354-F373 HydrophobicContact CD1-CD2 4.27Å; I354-F373 HydrophobicContact CD1-CE2 3.56Å; I354-F373 HydrophobicContact CD1-CZ 4.48Å; I354-F373 HydrophobicContact CG1-CD2 4.25Å; I354-F373 HydrophobicContact CG1-CE2 3.7Å |
| 355 | R | 72.6 | Confident | 69.4 | Low | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.4 | 166.7 | -107 | 179.2 | 168.5 | 175.9 | -10.4 | 109.9 | I321 M322 E325 N370 S462 | I321-R355 WeakPolarHBondContact CA-O 3.17Å; M322-R355 HydrophobicContact CB-CB 4.16Å; M322-R355 PolarHBondContact N-O 2.8Å; M322-R355 PolarHBondContact O-N 2.68Å; E325-R355 IonicContact OE1-CZ 2.71Å; E325-R355 IonicContact OE1-NE 3.03Å; E325-R355 IonicContact OE1-NH1 2.68Å; E325-R355 PolarHBondContact OE1-NH1 2.82Å; E325-R355 IonicContact OE2-NH1 3.17Å; R355-N370 HydrophobicContact CG-CB 4.48Å; R355-N370 WeakPolarHBondContact CG-OD1 3.42Å; R355-N370 PolarHBondContact NE-OD1 3.13Å; R355-N370 VanDerWaalsContact NE-OD1 3.14Å; R355-S462 VanDerWaalsContact CZ-O 3.3Å; R355-S462 PolarHBondContact NH1-O 2.85Å; R355-S462 PolarHBondContact NH1-OG 2.84Å; R355-S462 VanDerWaalsContact NH1-OG 3.12Å; R355-S462 PolarHBondContact NH2-O 2.87Å |
| 356 | M | 79.3 | Confident | 68.6 | Low | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.7 | 168.5 | -67.3 | -168.8 | 170 | 0 | 0 | 107.7 | V267 I307 V309 E320 I321 I354 P362 V363 | V267-M356 HydrophobicContact CG1-CE 4.1Å; V267-M356 HydrophobicContact CG1-SD 3.88Å; V267-M356 HydrophobicContact CG2-SD 3.77Å; I307-M356 HydrophobicContact CB-CE 4.49Å; I307-M356 HydrophobicContact CD1-CE 4.44Å; I307-M356 HydrophobicContact CG2-CE 3.71Å; V309-M356 HydrophobicContact CG2-CE 3.64Å; V309-M356 HydrophobicContact CG2-SD 3.71Å; E320-M356 WeakPolarHBondContact O-CA 3.49Å; I321-M356 HydrophobicContact CD1-CE 4.15Å; I321-M356 HydrophobicContact CG1-CE 4.35Å; I321-M356 HydrophobicContact CG1-CG 4.22Å; I321-M356 HydrophobicContact CG2-CE 3.86Å; I321-M356 HydrophobicContact CG2-CG 4.23Å; I354-M356 HydrophobicContact CG2-CE 4.04Å; I354-M356 HydrophobicContact CG2-CG 4.15Å; M356-P362 WeakPolarHBondContact O-CA 3.44Å; M356-V363 HydrophobicContact CB-CB 3.91Å; M356-V363 HydrophobicContact CB-CG2 4.09Å; M356-V363 PolarHBondContact O-N 3.2Å |
| 357 | T | 78.4 | Confident | 67.7 | Low | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.6 | -179 | 31.2 | 0 | 0 | 0 | 0 | 110 | L319 E320 L361 | L319-T357 WeakPolarHBondContact CA-O 3.31Å; E320-T357 VanDerWaalsContact CB-OG1 3.28Å; E320-T357 WeakPolarHBondContact CB-OG1 3.37Å; E320-T357 PolarHBondContact N-O 3.46Å; E320-T357 PolarHBondContact O-N 2.95Å; E320-T357 PolarHBondContact OE2-OG1 2.85Å; E320-T357 VanDerWaalsContact OE2-OG1 3.13Å; T357-L361 CarbonylContact C-O 3.59Å; T357-L361 WeakPolarHBondContact CA-O 3.32Å |
| 358 | F | 78.5 | Confident | 66.5 | Low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.6 | 174.5 | -161 | -114.7 | 0 | 0 | 0 | 108.6 | P262 V265 A311 A314 G317 N318 L319 G360 L361 V363 | P262-F358 HydrophobicContact CB-CB 4.26Å; V265-F358 HydrophobicContact CG2-CB 4.18Å; V265-F358 HydrophobicContact CG2-CD1 3.84Å; V265-F358 HydrophobicContact CG2-CD2 4.05Å; V265-F358 HydrophobicContact CG2-CE1 4.15Å; V265-F358 HydrophobicContact CG2-CE2 4.36Å; V265-F358 HydrophobicContact CG2-CG 3.77Å; V265-F358 HydrophobicContact CG2-CZ 4.41Å; A311-F358 HydrophobicContact CB-CE2 4.17Å; A311-F358 HydrophobicContact CB-CZ 4.41Å; A314-F358 HydrophobicContact CB-CD1 4.36Å; A314-F358 HydrophobicContact CB-CE1 3.65Å; A314-F358 HydrophobicContact CB-CZ 3.91Å; G317-F358 VanDerWaalsContact O-CE2 3.3Å; G317-F358 WeakPolarHBondContact O-CE2 3.25Å; N318-F358 CarbonylContact O-C 3.5Å; N318-F358 VanDerWaalsContact O-CA 3.31Å; N318-F358 WeakPolarHBondContact O-CA 3.28Å; L319-F358 HydrophobicContact CB-CD2 3.9Å; L319-F358 HydrophobicContact CB-CE2 4.17Å; L319-F358 HydrophobicContact CD1-CD2 4.06Å; F358-G360 PolarHBondContact O-N 3.45Å; F358-L361 PolarHBondContact N-O 3.3Å; F358-L361 PolarHBondContact O-N 2.72Å; F358-V363 HydrophobicContact CB-CG2 3.86Å |
| 359 | N | 72.4 | Confident | 65.6 | Low | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43 | -165.8 | -69.1 | -16.2 | 0 | 0 | 0 | 112.5 | A182 S183 N258 G317 N318 L361 | A182-N359 PolarHBondContact O-ND2 3.34Å; S183-N359 WeakPolarHBondContact OG-CB 3.45Å; N258-N359 PolarHBondContact O-ND2 2.72Å; G317-N359 WeakPolarHBondContact CA-OD1 3.5Å; N318-N359 PolarHBondContact N-OD1 3.23Å; N318-N359 PolarHBondContact O-N 3.37Å; N359-L361 PolarHBondContact O-N 3.39Å |
| 360 | G | 69.6 | Low | 64.8 | Low | 54 Ų | 54 | 48 Ų | 48 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -7.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | F358 | F358-G360 PolarHBondContact O-N 3.45Š|
| 361 | L | 73.4 | Confident | 64.4 | Low | 42 Ų | 42 | 46.3 Ų | 46.3 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 145.1 | 174.5 | -62.9 | 178.4 | 0 | 0 | 0 | 111 | S183 H186 P262 T357 F358 N359 V363 | S183-L361 VanDerWaalsContact CB-CD1 3.43Å; H186-L361 HydrophobicContact CB-CD1 4.07Å; H186-L361 VanDerWaalsContact CD2-CD1 3.44Å; H186-L361 WeakPolarHBondContact CD2-CD1 3.48Å; H186-L361 VanDerWaalsContact CG-CD1 3.42Å; P262-L361 HydrophobicContact CG-CB 4.31Å; P262-L361 HydrophobicContact CG-CD1 4.26Å; T357-L361 CarbonylContact C-O 3.59Å; T357-L361 WeakPolarHBondContact CA-O 3.32Å; F358-L361 PolarHBondContact N-O 3.3Å; F358-L361 PolarHBondContact O-N 2.72Å; N359-L361 PolarHBondContact O-N 3.39Å; L361-V363 PolarHBondContact O-N 3.47Å |
| 362 | P | 70 | Confident | 63.6 | Low | 55 Ų | 55 | 47.6 Ų | 47.6 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136 | 178.9 | 25.3 | -33.7 | 0 | 0 | 0 | 111.7 | M356 D369 | M356-P362 WeakPolarHBondContact O-CA 3.44Å; P362-D369 HydrophobicContact CB-CB 3.91Å; P362-D369 HydrophobicContact CG-CB 4.28Å |
| 363 | V | 74.8 | Confident | 62.9 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 130.1 | 168.9 | 169.3 | 0 | 0 | 0 | 0 | 108.4 | V265 V267 L319 M356 F358 L361 V365 | V265-V363 HydrophobicContact CB-CG1 3.83Å; V265-V363 HydrophobicContact CB-CG2 4.14Å; V265-V363 HydrophobicContact CG1-CG1 3.69Å; V265-V363 HydrophobicContact CG1-CG2 3.96Å; V265-V363 HydrophobicContact CG2-CG2 4.37Å; V267-V363 HydrophobicContact CG2-CG1 3.8Å; L319-V363 HydrophobicContact CD1-CG2 4.24Å; M356-V363 HydrophobicContact CB-CB 3.91Å; M356-V363 HydrophobicContact CB-CG2 4.09Å; M356-V363 PolarHBondContact O-N 3.2Å; F358-V363 HydrophobicContact CB-CG2 3.86Å; L361-V363 PolarHBondContact O-N 3.47Å; V363-V365 VanDerWaalsContact C-N 3.31Å; V363-V365 HydrophobicContact CG1-CG2 3.99Å; V363-V365 PolarHBondContact O-N 3.15Å |
| 364 | K | 67.1 | Low | 61.7 | Low | 104 Ų | 104 | 51.4 Ų | 51.4 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | trans | -80.1 | 72.3 | -168.6 | -159.1 | 170.6 | -175.2 | 177.9 | 0 | 112.5 | E263 N366 | E263-K364 HydrophobicContact CB-CD 4.49Å; E263-K364 HydrophobicContact CG-CD 3.76Å; E263-K364 IonicContact OE1-NZ 3.72Å; E263-K364 PolarHBondContact OE1-NZ 2.95Å; E263-K364 WeakPolarHBondContact OE2-CD 3.42Å; E263-K364 IonicContact OE2-NZ 2.69Å; E263-K364 PolarHBondContact OE2-NZ 2.72Å; K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 2.99Å | ||
| 365 | V | 63.4 | Low | 60 | Low | 20 Ų | 20 | 52.2 Ų | 52.2 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | trans | -76.7 | 76.4 | -175.9 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | V267 L270 V363 P367 V368 V371 | V267-V365 HydrophobicContact CB-CG1 4.43Å; V267-V365 HydrophobicContact CB-CG2 4.28Å; V267-V365 HydrophobicContact CG2-CG2 3.82Å; L270-V365 HydrophobicContact CD1-CG1 3.29Å; V363-V365 VanDerWaalsContact C-N 3.31Å; V363-V365 HydrophobicContact CG1-CG2 3.99Å; V363-V365 PolarHBondContact O-N 3.15Å; V365-P367 VanDerWaalsContact O-N 3.14Å; V365-V368 CarbonylContact C-O 3.57Å; V365-V368 PolarHBondContact O-N 2.96Å; V365-V371 HydrophobicContact CB-CG2 3.81Å; V365-V371 HydrophobicContact CG1-CG2 3.64Å; V365-V371 HydrophobicContact CG2-CG2 3.97Å | ||
| 366 | N | 53.5 | Low | 58.3 | Low | 149 Ų | 149 | 52.7 Ų | 52.7 | 80% | 0.797 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.8 | 113.8 | -172 | -170.2 | -5.1 | 0 | 0 | 0 | 113.8 | K364 | K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 2.99Å |
| 367 | P | 44.3 | Very low | 56 | Low | 119 Ų | 119 | 54.1 Ų | 54.1 | 77% | 0.773 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -111.1 | 29.2 | 14.5 | 42.8 | -35.1 | 0 | 0 | 0 | 115.9 | V365 | V365-P367 VanDerWaalsContact O-N 3.14Š|
| 368 | V | 39.9 | Very low | 53.7 | Low | 78 Ų | 78 | 57.6 Ų | 57.6 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | trans | -139.1 | 134 | -176.6 | -154.7 | 0 | 0 | 0 | 0 | 112.6 | V365 N370 | V365-V368 CarbonylContact C-O 3.57Å; V365-V368 PolarHBondContact O-N 2.96Å; V368-N370 VanDerWaalsContact C-N 3.25Å; V368-N370 WeakPolarHBondContact CB-O 3.4Å; V368-N370 WeakPolarHBondContact CG1-O 3.48Å; V368-N370 PolarHBondContact O-N 2.92Å | ||
| 369 | D | 41.4 | Very low | 51.2 | Low | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -69.9 | -18.1 | -178.9 | -61.4 | -32.6 | 0 | 0 | 0 | 114.2 | P362 | P362-D369 HydrophobicContact CB-CB 3.91Å; P362-D369 HydrophobicContact CG-CB 4.28Å |
| 370 | N | 47.5 | Very low | 48.9 | Very low | 42 Ų | 42 | 68.5 Ų | 68.5 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.8 | 170.3 | -41.4 | -86.5 | 0 | 0 | 0 | 107.2 | V353 R355 V368 | V353-N370 HydrophobicContact CG1-CB 4.18Å; R355-N370 HydrophobicContact CG-CB 4.48Å; R355-N370 WeakPolarHBondContact CG-OD1 3.42Å; R355-N370 PolarHBondContact NE-OD1 3.13Å; R355-N370 VanDerWaalsContact NE-OD1 3.14Å; V368-N370 VanDerWaalsContact C-N 3.25Å; V368-N370 WeakPolarHBondContact CB-O 3.4Å; V368-N370 WeakPolarHBondContact CG1-O 3.48Å; V368-N370 PolarHBondContact O-N 2.92Å |
| 371 | V | 51.8 | Low | 46.8 | Very low | 23 Ų | 23 | 67.6 Ų | 67.6 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.6 | -175.4 | -154.2 | 0 | 0 | 0 | 0 | 110 | L270 I354 V365 F373 | L270-V371 HydrophobicContact CD1-CG1 4.48Å; L270-V371 HydrophobicContact CD1-CG2 4.2Å; L270-V371 HydrophobicContact CD2-CB 4.29Å; L270-V371 HydrophobicContact CD2-CG1 4.27Å; L270-V371 HydrophobicContact CD2-CG2 4.03Å; I354-V371 PolarHBondContact N-O 2.85Å; I354-V371 PolarHBondContact O-N 2.64Å; V365-V371 HydrophobicContact CB-CG2 3.81Å; V365-V371 HydrophobicContact CG1-CG2 3.64Å; V365-V371 HydrophobicContact CG2-CG2 3.97Å; V371-F373 HydrophobicContact CB-CE1 4.31Å; V371-F373 HydrophobicContact CB-CE2 4.06Å; V371-F373 HydrophobicContact CB-CZ 3.64Å; V371-F373 HydrophobicContact CG1-CD1 4.46Å; V371-F373 HydrophobicContact CG1-CE1 3.48Å; V371-F373 VanDerWaalsContact CG1-CE1 3.48Å; V371-F373 HydrophobicContact CG1-CE2 4.12Å; V371-F373 HydrophobicContact CG1-CZ 3.27Å; V371-F373 VanDerWaalsContact O-CE2 3.32Å; V371-F373 WeakPolarHBondContact O-CE2 3.28Å |
| 372 | T | 45.9 | Very low | 44.4 | Very low | 80 Ų | 80 | 67.8 Ų | 67.8 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.6 | -174.9 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | T351 V353 | T351-T372 HydrophobicContact CG2-CG2 3.31Å; V353-T372 HydrophobicContact CG2-CG2 4.24Å |
| 373 | F | 53.6 | Low | 42.2 | Very low | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.035 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 108.7 | 177.1 | -40.4 | -78 | 0 | 0 | 0 | 109.8 | L270 P271 I274 Y352 I354 V371 | L270-F373 HydrophobicContact CB-CE1 4.46Å; L270-F373 HydrophobicContact CB-CZ 4.36Å; L270-F373 HydrophobicContact CD2-CZ 3.92Å; P271-F373 HydrophobicContact CG-CD1 3.95Å; P271-F373 HydrophobicContact CG-CE1 3.83Å; P271-F373 HydrophobicContact CG-CG 4.32Å; P271-F373 HydrophobicContact CG-CZ 4.13Å; P271-F373 WeakPolarHBondContact O-CD1 3.37Å; P271-F373 WeakPolarHBondContact O-CE1 3.21Å; I274-F373 HydrophobicContact CD1-CB 3.88Å; I274-F373 HydrophobicContact CD1-CG 4.44Å; I274-F373 HydrophobicContact CG1-CB 4.1Å; Y352-F373 PolarHBondContact N-O 3.23Å; Y352-F373 VanDerWaalsContact O-CD2 3.29Å; Y352-F373 WeakPolarHBondContact O-CD2 3.41Å; Y352-F373 PolarHBondContact O-N 3.15Å; I354-F373 HydrophobicContact CB-CE2 4.15Å; I354-F373 HydrophobicContact CD1-CD2 4.27Å; I354-F373 HydrophobicContact CD1-CE2 3.56Å; I354-F373 HydrophobicContact CD1-CZ 4.48Å; I354-F373 HydrophobicContact CG1-CD2 4.25Å; I354-F373 HydrophobicContact CG1-CE2 3.7Å; V371-F373 HydrophobicContact CB-CE1 4.31Å; V371-F373 HydrophobicContact CB-CE2 4.06Å; V371-F373 HydrophobicContact CB-CZ 3.64Å; V371-F373 HydrophobicContact CG1-CD1 4.46Å; V371-F373 HydrophobicContact CG1-CE1 3.48Å; V371-F373 VanDerWaalsContact CG1-CE1 3.48Å; V371-F373 HydrophobicContact CG1-CE2 4.12Å; V371-F373 HydrophobicContact CG1-CZ 3.27Å; V371-F373 VanDerWaalsContact O-CE2 3.32Å; V371-F373 WeakPolarHBondContact O-CE2 3.28Å |
| 374 | Q | 43.5 | Very low | 39.8 | Very low | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | trans | -71.7 | 144.4 | 161.4 | -85.1 | -178.5 | -25.8 | 0 | 0 | 110 | V376 | Q374-V376 PolarHBondContact O-N 2.97Š| ||
| 375 | V | 40.2 | Very low | 37.7 | Very low | 18 Ų | 18 | 81.9 Ų | 81.9 | 11% | 0.109 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 105.7 | 164 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | I274 H276 L279 P349 T350 Y352 G377 | I274-V375 HydrophobicContact CB-CG2 4.27Å; I274-V375 HydrophobicContact CG2-CG2 4.08Å; I274-V375 CarbonylContact O-C 3.57Å; I274-V375 VanDerWaalsContact O-CA 3.29Å; I274-V375 WeakPolarHBondContact O-CA 3.23Å; H276-V375 HydrophobicContact CB-CG1 4.07Å; L279-V375 HydrophobicContact CD1-CG1 3.87Å; L279-V375 HydrophobicContact CD2-CG1 4.25Å; L279-V375 HydrophobicContact CD2-CG2 4.03Å; L279-V375 HydrophobicContact CG-CG1 3.87Å; P349-V375 HydrophobicContact CB-CG1 4.41Å; T350-V375 WeakPolarHBondContact O-CG2 2.95Å; Y352-V375 HydrophobicContact CD2-CG2 4Å; Y352-V375 HydrophobicContact CE2-CG2 3.84Å; V375-G377 PolarHBondContact O-N 3.29Å |
| 376 | V | 35.7 | Very low | 35.9 | Very low | 55 Ų | 55 | 89 Ų | 89 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 110.9 | -174.2 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | Q273 I274 H276 Q374 | Q273-V376 HydrophobicContact CB-CG2 4.3Å; Q273-V376 HydrophobicContact CG-CG2 4.2Å; I274-V376 PolarHBondContact O-N 2.71Å; H276-V376 PolarHBondContact N-O 2.61Å; Q374-V376 PolarHBondContact O-N 2.97Å |
| 377 | G | 31.6 | Very low | 34.4 | Very low | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 49% | 0.488 | S | S | . | . | trans | -58.5 | 150.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V375 L379 | V375-G377 PolarHBondContact O-N 3.29Å; G377-L379 PolarHBondContact O-N 3.1Å | ||
| 378 | N | 29 | Very low | 33.5 | Very low | 92 Ų | 92 | 92 Ų | 92 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | trans | -70.2 | 82.8 | 171.7 | -86.5 | 2.5 | 0 | 0 | 0 | 110.1 | L380 | N378-L380 PolarHBondContact O-N 3.29Š| ||
| 379 | L | 25.6 | Very low | 32.8 | Very low | 155 Ų | 155 | 97 Ų | 97 | 81% | 0.812 | 50% | 0.502 | S | S | * | . | trans | -86.2 | 83.5 | 164.4 | -127.2 | 87.4 | 0 | 0 | 0 | 109 | G377 | G377-L379 PolarHBondContact O-N 3.1Š| ||
| 380 | L | 24.7 | Very low | 32 | Very low | 102 Ų | 102 | 99.7 Ų | 99.7 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | trans | -106.8 | 85.7 | 159.7 | -84.2 | 172.3 | 0 | 0 | 0 | 109 | N378 E1357 K1387 | N378-L380 PolarHBondContact O-N 3.29Å; L380-E1357 WeakPolarHBondContact CB-OE1 3.35Å; L380-K1387 VanDerWaalsContact O-CE 3.31Å; L380-K1387 WeakPolarHBondContact O-CE 3.33Å | ||
| 381 | T | 25.3 | Very low | 30.8 | Very low | 35 Ų | 35 | 104 Ų | 104 | 22% | 0.215 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -160.3 | 134.4 | 135.9 | 31.8 | 0 | 0 | 0 | 0 | 106.7 | D1385 K1387 | T381-D1385 HydrophobicContact CG2-CB 3.42Å; T381-D1385 VanDerWaalsContact CG2-CB 3.42Å; T381-K1387 HydrophobicContact CG2-CB 3.8Å; T381-K1387 HydrophobicContact CG2-CD 3.57Å; T381-K1387 HydrophobicContact CG2-CG 3.5Å; T381-K1387 WeakPolarHBondContact OG1-CD 3.42Å; T381-K1387 WeakPolarHBondContact OG1-CE 3.12Å; T381-K1387 PolarHBondContact OG1-NZ 3.33Å |
| 382 | A | 24 | Very low | 29.5 | Very low | 47 Ų | 47 | 109.2 Ų | 109.2 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | S | Bend | trans | 108.8 | 106.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L420 D1385 | A382-L420 VanDerWaalsContact C-CD1 3.46Å; A382-L420 HydrophobicContact CB-CD1 3.72Å; A382-L420 HydrophobicContact CB-CD2 3.46Å; A382-L420 VanDerWaalsContact CB-CD2 3.46Å; A382-L420 HydrophobicContact CB-CG 4.15Å; A382-D1385 WeakPolarHBondContact CA-OD1 3.02Å; A382-D1385 PolarHBondContact N-OD2 3.49Å |
| 383 | S | 24.5 | Very low | 28.6 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 57% | 0.573 | 57% | 0.574 | S | S | * | * | trans | -96.5 | 133.5 | -160.8 | -118.5 | 0 | 0 | 0 | 0 | 116.6 | L420 | S383-L420 WeakPolarHBondContact O-CD1 3.45Š| ||
| 384 | K | 23.7 | Very low | 27.3 | Very low | 180 Ų | 180 | 115 Ų | 115 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | trans | 67.5 | 85.7 | 152.1 | -58.1 | 165.8 | -176.4 | 162.1 | 0 | 118.9 | ||||
| 385 | R | 22.8 | Very low | 26.4 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 73% | 0.728 | 62% | 0.618 | S | S | * | * | S | Bend | -155.7 | 31 | 129.9 | -124.6 | -178.3 | -165.2 | -144.2 | 4.6 | 120.9 | |||
| 386 | L | 24.8 | Very low | 25.7 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 89% | 0.89 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -149.7 | 81.8 | 163.1 | -151.1 | 78.5 | 0 | 0 | 0 | 116.2 | ||
| 387 | L | 23.8 | Very low | 25.2 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 67% | 0.67 | S | S | * | * | trans | -166.4 | 93.8 | 154.7 | -120 | 165.1 | 0 | 0 | 0 | 112.4 | ||||
| 388 | L | 24.2 | Very low | 24.8 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -175.3 | 139.2 | 143.2 | -106.2 | 164.3 | 0 | 0 | 0 | 111.6 | ||||
| 389 | R | 25.6 | Very low | 24.6 | Very low | 183 Ų | 183 | 139 Ų | 139 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 71.3 | 121.4 | -169.3 | -51.4 | -169.6 | -177 | -134.6 | 1.4 | 114.8 | Q391 D392 | R389-Q391 HydrophobicContact CB-CB 4.37Å; R389-Q391 HydrophobicContact CG-CB 4.14Å; R389-D392 IonicContact NH1-OD2 3.31Å | ||
| 390 | I | 24.7 | Very low | 24.4 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | cis | 30 | 63.8 | -8.4 | -43.3 | -179 | 0 | 0 | 0 | 116 | K272 | K272-I390 HydrophobicContact CD-CD1 4.38Š| ||
| 391 | Q | 22.6 | Very low | 24.4 | Very low | 131 Ų | 131 | 140 Ų | 140 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | trans | -160.5 | 134.6 | 150.4 | -114.2 | 165 | -1 | 0 | 0 | 107.2 | R389 | R389-Q391 HydrophobicContact CB-CB 4.37Å; R389-Q391 HydrophobicContact CG-CB 4.14Å | ||
| 392 | D | 23.6 | Very low | 24.3 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 64.3 | 169.9 | -43.7 | -32.1 | 0 | 0 | 0 | 117.4 | R389 | R389-D392 IonicContact NH1-OD2 3.31Š| ||
| 393 | S | 26.9 | Very low | 24.8 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -117.5 | 102.5 | 134.5 | 180 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 394 | P | 26.7 | Very low | 24.9 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | -142.7 | 155.6 | 105.9 | 37.2 | -23.4 | 0 | 0 | 0 | 113.6 | |||||
| 395 | W | 25.1 | Very low | 24.9 | Very low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | cis | -154.2 | -175.4 | -9.5 | -92.6 | -15.4 | 0 | 0 | 0 | 106.9 | L397 | W395-L397 PolarHBondContact O-N 2.83Š| ||
| 396 | I | 25 | Very low | 25.1 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -55.7 | 137.2 | 164.2 | -68.4 | 175.1 | 0 | 0 | 0 | 109.9 | ||
| 397 | L | 24.9 | Very low | 25.2 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 2.6 | 132.9 | 162.2 | -65.9 | 169.2 | 0 | 0 | 0 | 117.9 | W395 | W395-L397 PolarHBondContact O-N 2.83Š|
| 398 | Q | 23.5 | Very low | 25.3 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | cis | -177.2 | 109.3 | 8.1 | 171.4 | -180 | -5.5 | 0 | 0 | 113.1 | V400 | Q398-V400 HydrophobicContact CG-CG2 4.35Š| ||
| 399 | V | 24 | Very low | 25.5 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -157.8 | 89.5 | 148.6 | 176.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 400 | V | 23 | Very low | 25.5 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | 91.9 | 118.4 | 75.9 | 165.7 | 0 | 0 | 0 | 0 | 113.8 | Q398 | Q398-V400 HydrophobicContact CG-CG2 4.35Š| |||
| 401 | Q | 23.8 | Very low | 25.5 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | 76.5 | 105 | 158.4 | -75.1 | 159.6 | 0.4 | 0 | 0 | 121.6 | ||||
| 402 | S | 23.4 | Very low | 25.5 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -83.3 | -162.5 | 153 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 403 | P | 33.7 | Very low | 25.5 | Very low | 89 Ų | 89 | 135 Ų | 135 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | -127 | -168.5 | -55.3 | 34.9 | -17.8 | 0 | 0 | 0 | 111.6 | |||||
| 404 | I | 26.5 | Very low | 25.3 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -177.4 | 125.2 | 146.4 | -98.2 | 151.9 | 0 | 0 | 0 | 106.8 | ||||
| 405 | F | 25.3 | Very low | 25.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | 74.3 | 139.1 | 61 | -77.3 | -49.1 | 0 | 0 | 0 | 113.5 | |||||
| 406 | L | 25.9 | Very low | 25 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | cis | -124.2 | -153.6 | -14.6 | -89.6 | 157.8 | 0 | 0 | 0 | 107.2 | ||||
| 407 | H | 27.3 | Very low | 24.9 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | cis | -154.5 | 175.1 | 5.7 | -102.3 | -81.7 | 0 | 0 | 0 | 105.9 | ||||
| 408 | D | 26.5 | Very low | 24.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | cis | 172 | 168.7 | -25.9 | -179 | 22.7 | 0 | 0 | 0 | 108.9 | ||||
| 409 | Q | 27.4 | Very low | 24.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | 69.7 | 142.2 | 167.3 | -45.9 | -167.2 | 8.2 | 0 | 0 | 118 | ||||
| 410 | S | 26.2 | Very low | 24.8 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | cis | -173.7 | 168.1 | -13.5 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 411 | S | 24.9 | Very low | 24.9 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -166.8 | 152 | -44.5 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 412 | S | 22.3 | Very low | 24.9 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 67.5 | 161.3 | 167.8 | 76.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 413 | V | 23.2 | Very low | 24.8 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | cis | -141.5 | 152.8 | 12.4 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 414 | S | 22 | Very low | 24.4 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | 43.2 | 131.9 | 157.1 | 63.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 415 | M | 23.8 | Very low | 24.2 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | trans | -148.8 | 149.8 | 139.4 | -104.3 | -78.9 | -80.8 | 0 | 0 | 108.7 | ||||
| 416 | S | 22.2 | Very low | 24 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | trans | -110.2 | 178 | -175.6 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 417 | S | 23.6 | Very low | 24 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | 60.5 | 88.5 | 157.4 | 45.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 418 | L | 23.8 | Very low | 23.9 | Very low | 162 Ų | 162 | 110.6 Ų | 110.6 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | 76.8 | 156.9 | 133.3 | -62.5 | 172.3 | 0 | 0 | 0 | 121 | ||||
| 419 | P | 25.2 | Very low | 23.8 | Very low | 99 Ų | 99 | 112 Ų | 112 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | trans | -134.3 | 165.8 | -156.4 | 41.6 | -23.3 | 0 | 0 | 0 | 116.8 | ||||
| 420 | L | 22 | Very low | 23.7 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 47% | 0.466 | 66% | 0.663 | S | S | . | * | trans | -89.7 | 153.1 | 165.1 | -80.1 | 110.8 | 0 | 0 | 0 | 114.2 | A382 S383 | A382-L420 VanDerWaalsContact C-CD1 3.46Å; A382-L420 HydrophobicContact CB-CD1 3.72Å; A382-L420 HydrophobicContact CB-CD2 3.46Å; A382-L420 VanDerWaalsContact CB-CD2 3.46Å; A382-L420 HydrophobicContact CB-CG 4.15Å; S383-L420 WeakPolarHBondContact O-CD1 3.45Å | ||
| 421 | G | 24 | Very low | 23.6 | Very low | 68 Ų | 68 | 108.3 Ų | 108.3 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | 150.1 | 120.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 422 | N | 24.8 | Very low | 23.6 | Very low | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 63% | 0.632 | S | S | * | * | trans | -149.7 | 116 | 158.1 | -106.4 | -14.6 | 0 | 0 | 0 | 109.1 | ||||
| 423 | V | 21.5 | Very low | 23.9 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | trans | -163.6 | 120.7 | 170.5 | 108.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 424 | I | 23.3 | Very low | 23.9 | Very low | 140 Ų | 140 | 106.8 Ų | 106.8 | 72% | 0.718 | 63% | 0.627 | S | S | * | * | trans | 64 | 135.5 | 161.3 | -29.2 | 160.5 | 0 | 0 | 0 | 121.7 | ||||
| 425 | L | 22.9 | Very low | 24 | Very low | 106 Ų | 106 | 109.4 Ų | 109.4 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | trans | 124.7 | 131.5 | 139.3 | -66.7 | 174 | 0 | 0 | 0 | 117.4 | A1698 K1701 | L425-A1698 HydrophobicContact CD2-CB 4.42Å; L425-K1701 HydrophobicContact CB-CD 4.21Å; L425-K1701 PolarHBondContact O-NZ 2.93Å | ||
| 426 | A | 21.9 | Very low | 24.1 | Very low | 71 Ų | 71 | 107.7 Ų | 107.7 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | trans | -81.4 | -131 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1701 | A426-K1701 WeakPolarHBondContact O-CD 3.38Å; A426-K1701 WeakPolarHBondContact O-CE 3.4Å; A426-K1701 PolarHBondContact O-NZ 2.79Å | ||
| 427 | S | 24.8 | Very low | 24.3 | Very low | 58 Ų | 58 | 107.2 Ų | 107.2 | 41% | 0.406 | 64% | 0.637 | S | S | . | * | cis | -138.1 | -93 | -17 | 24.7 | 0 | 0 | 0 | 0 | 114.7 | A1699 K1701 | S427-A1699 PolarHBondContact OG-O 3.14Å; S427-K1701 CarbonylContact C-O 3.59Å; S427-K1701 WeakPolarHBondContact CA-O 3.25Å; S427-K1701 PolarHBondContact N-O 3.14Å; S427-K1701 PolarHBondContact OG-N 2.85Å; S427-K1701 PolarHBondContact OG-O 2.91Å | ||
| 428 | P | 26.2 | Very low | 24.4 | Very low | 54 Ų | 54 | 105.2 Ų | 105.2 | 35% | 0.351 | 63% | 0.632 | S | S | . | * | trans | -121.1 | 164.5 | -146 | 40.3 | -24.9 | 0 | 0 | 0 | 119.1 | A1700 K1701 T1702 Q1703 | P428-A1700 HydrophobicContact CG-CB 4.46Å; P428-K1701 WeakPolarHBondContact CD-O 3.38Å; P428-T1702 CarbonylContact O-C 3.47Å; P428-Q1703 PolarHBondContact O-N 3.36Å | ||
| 429 | L | 23.8 | Very low | 24.6 | Very low | 140 Ų | 140 | 100.8 Ų | 100.8 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | trans | -62.7 | 158.6 | 166.4 | -80.4 | 139.1 | 0 | 0 | 0 | 113 | Q1703 | L429-Q1703 HydrophobicContact CG-CG 4.33Š| ||
| 430 | S | 25.6 | Very low | 24.6 | Very low | 52 Ų | 52 | 99.7 Ų | 99.7 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | trans | -133.7 | 159.7 | 179.3 | 52 | 0 | 0 | 0 | 0 | 113.4 | D432 L1715 | S430-D432 PolarHBondContact O-N 3.29Å; S430-L1715 WeakPolarHBondContact OG-CD1 3.32Å | ||
| 431 | I | 24.7 | Very low | 24.7 | Very low | 137 Ų | 137 | 99.2 Ų | 99.2 | 70% | 0.703 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -79.6 | 87.9 | -162.9 | -59.2 | 171.3 | 0 | 0 | 0 | 111.5 | R1744 | I431-R1744 PolarHBondContact O-NH1 2.91Š|
| 432 | D | 24.9 | Very low | 24.9 | Very low | 13 Ų | 13 | 101.7 Ų | 101.7 | 7% | 0.07 | 59% | 0.588 | C | S | . | * | trans | -136.3 | -27.3 | -174.6 | -124.5 | 47.2 | 0 | 0 | 0 | 116.3 | S430 L434 L1715 R1744 E1750 | S430-D432 PolarHBondContact O-N 3.29Å; D432-L434 PolarHBondContact O-N 2.73Å; D432-L1715 HydrophobicContact CB-CD1 4.04Å; D432-L1715 HydrophobicContact CB-CG 4.46Å; D432-L1715 WeakPolarHBondContact OD1-CD1 3.46Å; D432-L1715 WeakPolarHBondContact OD1-CD2 3.39Å; D432-L1715 WeakPolarHBondContact OD1-CG 3.45Å; D432-R1744 PolarHBondContact O-NE 2.97Å; D432-R1744 PolarHBondContact O-NH2 2.88Å; D432-R1744 WeakPolarHBondContact OD1-CD 3.4Å; D432-R1744 IonicContact OD1-CZ 2.58Å; D432-R1744 IonicContact OD1-NE 3.23Å; D432-R1744 PolarHBondContact OD1-NE 3.47Å; D432-R1744 VanDerWaalsContact OD1-NE 3.13Å; D432-R1744 IonicContact OD1-NH1 3.96Å; D432-R1744 PolarHBondContact OD1-NH1 3.2Å; D432-R1744 WeakPolarHBondContact OD2-CD 3.37Å; D432-R1744 IonicContact OD2-NE 3Å; D432-E1750 WeakPolarHBondContact OD2-CB 3.5Å; D432-E1750 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 433 | Q | 27 | Very low | 24.8 | Very low | 149 Ų | 149 | 98.9 Ų | 98.9 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | trans | -92.7 | 19.4 | -166.4 | -77.1 | -107.7 | -101.1 | 0 | 0 | 116.3 | ||||
| 434 | L | 24.2 | Very low | 24.9 | Very low | 144 Ų | 144 | 96.4 Ų | 96.4 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | trans | -83.5 | 142.1 | 164.6 | -76.9 | 166.9 | 0 | 0 | 0 | 110.3 | D432 | D432-L434 PolarHBondContact O-N 2.73Š| ||
| 435 | Q | 23.2 | Very low | 24.9 | Very low | 165 Ų | 165 | 96.9 Ų | 96.9 | 77% | 0.771 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 75.2 | 71.9 | 178.9 | -48.2 | -170.4 | 31.9 | 0 | 0 | 118 | ||
| 436 | T | 26.9 | Very low | 25 | Very low | 150 Ų | 150 | 98 Ų | 98 | 92% | 0.92 | 59% | 0.586 | S | S | * | * | 176.7 | 148.2 | 117.9 | 28.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 437 | G | 26.8 | Very low | 25.1 | Very low | 83 Ų | 83 | 98.7 Ų | 98.7 | 86% | 0.856 | 59% | 0.587 | S | S | * | * | trans | -105.1 | 168.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 438 | G | 25.8 | Very low | 25.2 | Very low | 57 Ų | 57 | 99.2 Ų | 99.2 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | cis | 158.7 | -168.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 439 | L | 27.3 | Very low | 25.2 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 36% | 0.361 | 58% | 0.582 | S | S | . | * | trans | 87.5 | 109.3 | 176.1 | -56.5 | 135.5 | 0 | 0 | 0 | 112.7 | K2013 K2050 | L439-K2013 HydrophobicContact CD2-CB 4.16Å; L439-K2013 HydrophobicContact CD2-CD 4Å; L439-K2050 HydrophobicContact CB-CD 4.18Å; L439-K2050 HydrophobicContact CD1-CD 3.85Å; L439-K2050 HydrophobicContact CD2-CD 4.22Å; L439-K2050 HydrophobicContact CG-CD 4.27Å | ||
| 440 | S | 25.1 | Very low | 25.2 | Very low | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | 75.1 | 133.6 | 65 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 441 | H | 24.9 | Very low | 25.1 | Very low | 79 Ų | 79 | 99.1 Ų | 99.1 | 37% | 0.366 | 60% | 0.598 | S | S | . | * | cis | -121.1 | 158.8 | 29.1 | -90 | -155.5 | 0 | 0 | 0 | 115.3 | E2009 T2011 | H441-E2009 IonicContact CE1-OE1 3.17Å; H441-E2009 PolarHBondContact CE1-OE1 2.8Å; H441-E2009 IonicContact CG-OE1 2.6Å; H441-E2009 IonicContact CG-OE2 3.87Å; H441-E2009 IonicContact ND1-OE1 2.75Å; H441-E2009 PolarHBondContact ND1-OE1 2.79Å; H441-E2009 IonicContact ND1-OE2 2.66Å; H441-T2011 VanDerWaalsContact CE1-CG2 3.49Å; H441-T2011 WeakPolarHBondContact CE1-CG2 3.3Å; H441-T2011 WeakPolarHBondContact NE2-CB 3.24Å; H441-T2011 VanDerWaalsContact NE2-CG2 3.27Å; H441-T2011 WeakPolarHBondContact NE2-CG2 3.35Å | ||
| 442 | Y | 27.6 | Very low | 25.2 | Very low | 121 Ų | 121 | 95 Ų | 95 | 48% | 0.475 | 58% | 0.58 | S | S | . | * | -160.6 | 127.6 | 122.3 | -105.1 | -62.7 | 0 | 0 | 0 | 111 | E1901 | Y442-E1901 HydrophobicContact CD2-CG 4.29Å; Y442-E1901 HydrophobicContact CE1-CB 3.69Å; Y442-E1901 HydrophobicContact CE1-CG 3.93Å; Y442-E1901 HydrophobicContact CE2-CB 4.07Å; Y442-E1901 HydrophobicContact CE2-CG 3.54Å; Y442-E1901 VanDerWaalsContact CZ-CG 3.4Å; Y442-E1901 WeakPolarHBondContact OH-CA 3.44Å; Y442-E1901 WeakPolarHBondContact OH-CB 3.28Å; Y442-E1901 PolarHBondContact OH-N 2.86Å | |||
| 443 | A | 23.4 | Very low | 25.2 | Very low | 82 Ų | 82 | 97.9 Ų | 97.9 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | trans | -121.6 | 85.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 444 | C | 23.2 | Very low | 25.1 | Very low | 79 Ų | 79 | 98.2 Ų | 98.2 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | trans | -159.1 | 44.6 | 163.2 | -137.7 | 0 | 0 | 0 | 0 | 115 | K1940 | C444-K1940 HydrophobicContact CB-CD 4.07Å; C444-K1940 VanDerWaalsContact SG-CD 3.59Å; C444-K1940 PolarHBondContact SG-NZ 2.89Å | ||
| 445 | L | 23.9 | Very low | 25.1 | Very low | 150 Ų | 150 | 99.4 Ų | 99.4 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -150.2 | 52 | 168 | -110.7 | 177.1 | 0 | 0 | 0 | 111.5 | ||||
| 446 | T | 24.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 96.7 Ų | 96.7 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -122.1 | 54.8 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | P448 | T446-P448 WeakPolarHBondContact O-CD 3.17Š| ||
| 447 | S | 24.1 | Very low | 25.1 | Very low | 86 Ų | 86 | 95 Ų | 95 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | trans | -57.9 | 123 | 144.7 | 54.9 | 0 | 0 | 0 | 0 | 107.2 | G449 | S447-G449 PolarHBondContact O-N 3.02Š| ||
| 448 | P | 25.5 | Very low | 25.3 | Very low | 70 Ų | 70 | 94.8 Ų | 94.8 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | 91 | 163.1 | 29.7 | -33.3 | 0 | 0 | 0 | 107.5 | T446 A481 | T446-P448 WeakPolarHBondContact O-CD 3.17Å; P448-A481 VanDerWaalsContact CB-O 3.26Å; P448-A481 WeakPolarHBondContact CB-O 3.11Å |
| 449 | G | 26.7 | Very low | 25.2 | Very low | 20 Ų | 20 | 98 Ų | 98 | 21% | 0.206 | 59% | 0.591 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -148.2 | -61.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S447 P483 W485 | S447-G449 PolarHBondContact O-N 3.02Å; G449-P483 VanDerWaalsContact N-CD 3.27Å; G449-P483 WeakPolarHBondContact O-CG 3.17Å; G449-W485 PolarHBondContact O-NE1 2.74Å |
| 450 | A | 24.7 | Very low | 25.1 | Very low | 82 Ų | 82 | 99 Ų | 99 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | trans | -130 | 97.9 | -163 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 451 | L | 23.4 | Very low | 25 | Very low | 142 Ų | 142 | 98.9 Ų | 98.9 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -158.2 | 5.7 | 163.3 | -124.5 | 169.5 | 0 | 0 | 0 | 115.5 | ||
| 452 | P | 25.7 | Very low | 24.9 | Very low | 49 Ų | 49 | 97.6 Ų | 97.6 | 32% | 0.318 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -100.3 | 40.9 | 154.8 | -22 | 40.1 | 0 | 0 | 0 | 114.9 | W485 | P452-W485 HydrophobicContact CB-CB 3.62Å; P452-W485 HydrophobicContact CB-CD2 4.16Å; P452-W485 HydrophobicContact CB-CG 3.64Å; P452-W485 HydrophobicContact CG-CB 3.66Å; P452-W485 HydrophobicContact CG-CD2 4.38Å; P452-W485 HydrophobicContact CG-CG 3.53Å |
| 453 | A | 25.9 | Very low | 24.8 | Very low | 74 Ų | 74 | 98.8 Ų | 98.8 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -112.2 | 14.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 454 | L | 24.4 | Very low | 25 | Very low | 157 Ų | 157 | 100.4 Ų | 100.4 | 82% | 0.822 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -128.4 | 25 | -174.7 | -86.6 | 166 | 0 | 0 | 0 | 113.6 | ||
| 455 | L | 24.6 | Very low | 25.3 | Very low | 169 Ų | 169 | 101.4 Ų | 101.4 | 89% | 0.885 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -127.8 | 16.7 | 173 | -88.7 | 170.7 | 0 | 0 | 0 | 113.1 | ||
| 456 | Q | 24.7 | Very low | 26.1 | Very low | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 62% | 0.617 | S | S | . | * | trans | -125.6 | 93.1 | -177.9 | -63.6 | -179 | 26.7 | 0 | 0 | 111.4 | F471 | Q456-F471 VanDerWaalsContact CD-CZ 3.43Å; Q456-F471 HydrophobicContact CG-CE1 4.3Å; Q456-F471 HydrophobicContact CG-CZ 4.1Å | ||
| 457 | S | 25.1 | Very low | 26.9 | Very low | 116 Ų | 116 | 103.5 Ų | 103.5 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | trans | -163 | 159.1 | 162.9 | 79.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 458 | P | 31.5 | Very low | 28.4 | Very low | 77 Ų | 77 | 101.4 Ų | 101.4 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | -125.1 | 150.6 | -97.1 | 34.2 | -19.5 | 0 | 0 | 0 | 114.3 | |||||
| 459 | V | 23.5 | Very low | 30.2 | Very low | 126 Ų | 126 | 103.8 Ų | 103.8 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | trans | -130.6 | 92.4 | 159.2 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | S461 | V459-S461 WeakPolarHBondContact CG1-OG 3.38Š| ||
| 460 | A | 23.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -104.4 | 37.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 461 | S | 24.5 | Very low | 34.4 | Very low | 73 Ų | 73 | 101.7 Ų | 101.7 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | trans | -65.7 | 132.7 | 165.6 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | V459 | V459-S461 WeakPolarHBondContact CG1-OG 3.38Š| ||
| 462 | S | 22.7 | Very low | 36.7 | Very low | 52 Ų | 52 | 95.1 Ų | 95.1 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -56.2 | 147.6 | -173.9 | 34.7 | 0 | 0 | 0 | 0 | 114.9 | E325 R355 | E325-S462 WeakPolarHBondContact OE1-CB 3.31Å; E325-S462 PolarHBondContact OE1-OG 3.03Å; R355-S462 VanDerWaalsContact CZ-O 3.3Å; R355-S462 PolarHBondContact NH1-O 2.85Å; R355-S462 PolarHBondContact NH1-OG 2.84Å; R355-S462 VanDerWaalsContact NH1-OG 3.12Å; R355-S462 PolarHBondContact NH2-O 2.87Å |
| 463 | H | 25.6 | Very low | 39 | Very low | 147 Ų | 147 | 96.2 Ų | 96.2 | 68% | 0.681 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 69.1 | 77.3 | 169.3 | -61.6 | -72.4 | 0 | 0 | 0 | 118.7 | E325 | E325-H463 IonicContact OE1-CD2 3.56Å; E325-H463 IonicContact OE2-CD2 2.66Å |
| 464 | S | 27 | Very low | 41 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 80% | 0.804 | 51% | 0.509 | S | S | * | . | -166.5 | 157.3 | 127.4 | 33.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 465 | P | 30.1 | Very low | 42.8 | Very low | 101 Ų | 101 | 88 Ų | 88 | 66% | 0.656 | 48% | 0.484 | S | S | * | . | trans | -92.4 | 111.4 | -161.2 | 33.6 | -33.4 | 0 | 0 | 0 | 114 | ||||
| 466 | D | 39.2 | Very low | 44.5 | Very low | 98 Ų | 98 | 81.2 Ų | 81.2 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | trans | -140.5 | 70 | 163.4 | -142.2 | -14.6 | 0 | 0 | 0 | 109.8 | L468 | D466-L468 VanDerWaalsContact C-N 3.33Š| ||
| 467 | R | 43.1 | Very low | 45.6 | Very low | 224 Ų | 224 | 83.8 Ų | 83.8 | 85% | 0.845 | 46% | 0.462 | S | S | * | . | trans | -81 | -7.3 | -173.4 | -79.8 | -173.1 | 173.9 | -172.1 | -0.7 | 114.2 | ||||
| 468 | L | 55.3 | Low | 46.8 | Very low | 42 Ų | 42 | 86 Ų | 86 | 22% | 0.22 | 47% | 0.465 | C | S | . | . | trans | -129.3 | 71 | -173.3 | -106.9 | 159.1 | 0 | 0 | 0 | 112 | D466 L493 Q494 Y576 | D466-L468 VanDerWaalsContact C-N 3.33Å; L468-L493 HydrophobicContact CB-CB 4.45Å; L468-Q494 HydrophobicContact CB-CB 4.48Å; L468-Q494 HydrophobicContact CD1-CB 3.52Å; L468-Q494 HydrophobicContact CD1-CG 3.67Å; L468-Y576 HydrophobicContact CD2-CD1 4.1Å; L468-Y576 HydrophobicContact CD2-CE1 4.29Å | ||
| 469 | R | 62.9 | Low | 47.6 | Very low | 120 Ų | 120 | 88.9 Ų | 88.9 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | trans | -100.3 | 132.2 | 160.9 | -168 | 160.4 | -172.4 | 174 | 0.1 | 109.6 | F471 D487 I488 K573 | R469-F471 HydrophobicContact CG-CE1 4.22Å; R469-F471 HydrophobicContact CG-CE2 4.34Å; R469-F471 HydrophobicContact CG-CZ 3.87Å; R469-D487 VanDerWaalsContact CG-OD1 3.25Å; R469-D487 WeakPolarHBondContact CG-OD1 3.18Å; R469-D487 IonicContact CZ-OD1 3.2Å; R469-D487 IonicContact CZ-OD2 2.9Å; R469-D487 IonicContact NE-OD1 3.19Å; R469-D487 PolarHBondContact NE-OD1 2.86Å; R469-D487 IonicContact NE-OD2 2.72Å; R469-D487 PolarHBondContact NE-OD2 3.11Å; R469-D487 IonicContact NH2-OD1 2.74Å; R469-D487 IonicContact NH2-OD2 2.71Å; R469-D487 PolarHBondContact NH2-OD2 3.14Å; R469-I488 WeakPolarHBondContact CA-O 3.34Å; R469-K573 PolarHBondContact O-NZ 3.43Å | ||
| 470 | A | 67.9 | Low | 48.5 | Very low | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.008 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117.5 | -177 | 0 | 0 | 0 | 0 | 0 | 109.8 | I488 K573 Y576 | A470-I488 HydrophobicContact CB-CB 4.44Å; A470-I488 PolarHBondContact N-O 2.77Å; A470-I488 PolarHBondContact O-N 2.79Å; A470-K573 HydrophobicContact CB-CD 4.02Å; A470-Y576 HydrophobicContact CB-CE1 3.84Å; A470-Y576 WeakPolarHBondContact CB-OH 3.29Å |
| 471 | F | 71.3 | Confident | 49.5 | Very low | 58 Ų | 58 | 85.1 Ų | 85.1 | 25% | 0.254 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134 | 171.7 | -53.3 | -71.7 | 0 | 0 | 0 | 107.9 | Q456 R469 A486 D487 E572 | Q456-F471 VanDerWaalsContact CD-CZ 3.43Å; Q456-F471 HydrophobicContact CG-CE1 4.3Å; Q456-F471 HydrophobicContact CG-CZ 4.1Å; R469-F471 HydrophobicContact CG-CE1 4.22Å; R469-F471 HydrophobicContact CG-CE2 4.34Å; R469-F471 HydrophobicContact CG-CZ 3.87Å; F471-A486 CarbonylContact C-O 3.13Å; F471-A486 WeakPolarHBondContact CA-O 3.37Å; F471-D487 HydrophobicContact CD1-CB 3.91Å; F471-D487 HydrophobicContact CE1-CB 4.05Å; F471-D487 VanDerWaalsContact CE1-OD1 3.22Å; F471-D487 WeakPolarHBondContact CE1-OD1 3.31Å; F471-E572 WeakPolarHBondContact O-CB 3.44Å; F471-E572 VanDerWaalsContact O-CD 3.3Å |
| 472 | S | 73 | Confident | 50.6 | Low | 3 Ų | 3 | 84.7 Ų | 84.7 | 2% | 0.021 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 121.8 | -178 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | W485 A486 A571 E572 | S472-W485 CarbonylContact O-C 3.47Å; S472-W485 VanDerWaalsContact O-CA 3.26Å; S472-W485 WeakPolarHBondContact O-CA 3.34Å; S472-A486 PolarHBondContact N-O 2.76Å; S472-A486 PolarHBondContact O-N 2.87Å; S472-A571 VanDerWaalsContact OG-CA 3.32Å; S472-A571 WeakPolarHBondContact OG-CA 3.41Å; S472-E572 PolarHBondContact OG-N 2.85Å |
| 473 | K | 73.4 | Confident | 52.3 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 140.4 | 171.5 | -175.8 | 177.6 | -177.1 | -99.2 | 0 | 110.9 | D475 P483 W485 | K473-D475 IonicContact NZ-OD1 3.79Å; K473-D475 PolarHBondContact NZ-OD1 3.43Å; K473-D475 IonicContact NZ-OD2 2.66Å; K473-D475 PolarHBondContact NZ-OD2 2.98Å; K473-P483 HydrophobicContact CD-CB 4.44Å; K473-P483 HydrophobicContact CG-CB 3.81Å; K473-P483 HydrophobicContact CG-CG 4.41Å; K473-W485 HydrophobicContact CB-CD2 4.2Å; K473-W485 HydrophobicContact CB-CZ2 4.26Å; K473-W485 HydrophobicContact CD-CZ2 4.02Å; K473-W485 HydrophobicContact CG-CZ2 4.23Å |
| 474 | V | 67.5 | Low | 54.1 | Low | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.024 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 109.9 | 178.6 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | I476 P483 V484 L566 | V474-I476 HydrophobicContact CG1-CG1 4.25Å; V474-I476 PolarHBondContact O-N 3.29Å; V474-P483 WeakPolarHBondContact O-CA 3.4Å; V474-P483 WeakPolarHBondContact O-CB 3.45Å; V474-V484 WeakPolarHBondContact CA-O 3.21Å; V474-V484 VanDerWaalsContact CB-O 3.24Å; V474-V484 WeakPolarHBondContact CB-O 3.31Å; V474-V484 WeakPolarHBondContact CG2-O 3.33Å; V474-V484 PolarHBondContact N-O 2.91Å; V474-V484 PolarHBondContact O-N 3.15Å; V474-V484 VanDerWaalsContact O-N 3.1Å; V474-L566 HydrophobicContact CB-CB 4.44Å; V474-L566 HydrophobicContact CG1-CB 4.05Å; V474-L566 WeakPolarHBondContact CG1-O 3.12Å; V474-L566 HydrophobicContact CG2-CB 3.49Å; V474-L566 VanDerWaalsContact CG2-CB 3.49Å; V474-L566 HydrophobicContact CG2-CD1 3.47Å; V474-L566 VanDerWaalsContact CG2-CD1 3.47Å; V474-L566 HydrophobicContact CG2-CG 4.13Å |
| 475 | D | 63.3 | Low | 56 | Low | 56 Ų | 56 | 74.4 Ų | 74.4 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -87.6 | 93.9 | 178.4 | -71.2 | -51.2 | 0 | 0 | 0 | 111.2 | K473 M477 | K473-D475 IonicContact NZ-OD1 3.79Å; K473-D475 PolarHBondContact NZ-OD1 3.43Å; K473-D475 IonicContact NZ-OD2 2.66Å; K473-D475 PolarHBondContact NZ-OD2 2.98Å; D475-M477 VanDerWaalsContact C-N 3.26Å; D475-M477 PolarHBondContact O-N 3.21Å | ||
| 476 | I | 60.4 | Low | 58.2 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | trans | -75.8 | 77.4 | 179 | -48.9 | -178 | 0 | 0 | 0 | 110.3 | V474 D478 R479 V484 L511 | V474-I476 HydrophobicContact CG1-CG1 4.25Å; V474-I476 PolarHBondContact O-N 3.29Å; I476-D478 PolarHBondContact O-N 2.92Å; I476-D478 VanDerWaalsContact O-N 3.12Å; I476-R479 HydrophobicContact CG2-CB 4.16Å; I476-R479 HydrophobicContact CG2-CG 4.1Å; I476-R479 PolarHBondContact O-N 2.89Å; I476-V484 HydrophobicContact CD1-CB 4.46Å; I476-V484 HydrophobicContact CD1-CG2 3.55Å; I476-V484 HydrophobicContact CG1-CG2 4.38Å; I476-L511 HydrophobicContact CD1-CD2 3.68Å | ||
| 477 | M | 47.2 | Very low | 60.3 | Low | 162 Ų | 162 | 66 Ų | 66 | 80% | 0.798 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -52.2 | -36.5 | -175.8 | -65.8 | -172.4 | 173.7 | 0 | 0 | 113.1 | D475 R479 | D475-M477 VanDerWaalsContact C-N 3.26Å; D475-M477 PolarHBondContact O-N 3.21Å; M477-R479 VanDerWaalsContact C-N 3.27Å; M477-R479 PolarHBondContact O-N 2.85Å |
| 478 | D | 50.8 | Low | 62.5 | Low | 161 Ų | 161 | 55.3 Ų | 55.3 | 86% | 0.861 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -81.3 | 7.2 | -172.3 | -151.9 | 31.9 | 0 | 0 | 0 | 114.8 | I476 | I476-D478 PolarHBondContact O-N 2.92Å; I476-D478 VanDerWaalsContact O-N 3.12Å |
| 479 | R | 47.1 | Very low | 63.9 | Low | 139 Ų | 139 | 55.1 Ų | 55.1 | 53% | 0.525 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -127.5 | -14 | 179.5 | -68.7 | -167.4 | -176.3 | 165.9 | 12.2 | 116.4 | I476 M477 K2022 | I476-R479 HydrophobicContact CG2-CB 4.16Å; I476-R479 HydrophobicContact CG2-CG 4.1Å; I476-R479 PolarHBondContact O-N 2.89Å; M477-R479 VanDerWaalsContact C-N 3.27Å; M477-R479 PolarHBondContact O-N 2.85Å; R479-K2022 PolarHBondContact O-NZ 3.04Å |
| 480 | G | 43.7 | Very low | 64.8 | Low | 81 Ų | 81 | 50.1 Ų | 50.1 | 84% | 0.835 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 40.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 481 | A | 43.7 | Very low | 65.1 | Low | 54 Ų | 54 | 55.6 Ų | 55.6 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | trans | -117.2 | 164.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | P448 | P448-A481 VanDerWaalsContact CB-O 3.26Å; P448-A481 WeakPolarHBondContact CB-O 3.11Å | ||
| 482 | A | 48.3 | Very low | 65.8 | Low | 64 Ų | 64 | 52.9 Ų | 52.9 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 149.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V484 | A482-V484 PolarHBondContact O-N 2.83Š|
| 483 | P | 57.8 | Low | 66.5 | Low | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.045 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 134.8 | 178.3 | 27.2 | -36.6 | 0 | 0 | 0 | 108.2 | G449 K473 V474 | G449-P483 VanDerWaalsContact N-CD 3.27Å; G449-P483 WeakPolarHBondContact O-CG 3.17Å; K473-P483 HydrophobicContact CD-CB 4.44Å; K473-P483 HydrophobicContact CG-CB 3.81Å; K473-P483 HydrophobicContact CG-CG 4.41Å; V474-P483 WeakPolarHBondContact O-CA 3.4Å; V474-P483 WeakPolarHBondContact O-CB 3.45Å |
| 484 | V | 62.3 | Low | 66.9 | Low | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.9 | 168.8 | -169 | 0 | 0 | 0 | 0 | 105.9 | V474 I476 A482 A508 S510 L511 | V474-V484 WeakPolarHBondContact CA-O 3.21Å; V474-V484 VanDerWaalsContact CB-O 3.24Å; V474-V484 WeakPolarHBondContact CB-O 3.31Å; V474-V484 WeakPolarHBondContact CG2-O 3.33Å; V474-V484 PolarHBondContact N-O 2.91Å; V474-V484 PolarHBondContact O-N 3.15Å; V474-V484 VanDerWaalsContact O-N 3.1Å; I476-V484 HydrophobicContact CD1-CB 4.46Å; I476-V484 HydrophobicContact CD1-CG2 3.55Å; I476-V484 HydrophobicContact CG1-CG2 4.38Å; A482-V484 PolarHBondContact O-N 2.83Å; V484-A508 HydrophobicContact CG1-CB 4.38Å; V484-S510 VanDerWaalsContact CG2-CB 3.5Å; V484-L511 HydrophobicContact CB-CD2 4.21Å; V484-L511 HydrophobicContact CB-CG 4.33Å; V484-L511 HydrophobicContact CG1-CD2 4.36Å; V484-L511 HydrophobicContact CG1-CG 3.97Å; V484-L511 HydrophobicContact CG2-CD2 4.14Å |
| 485 | W | 67.7 | Low | 67.6 | Low | 75 Ų | 75 | 53.8 Ų | 53.8 | 28% | 0.284 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.3 | 169.4 | -64.8 | 49.2 | 0 | 0 | 0 | 107 | G449 P452 S472 K473 | G449-W485 PolarHBondContact O-NE1 2.74Å; P452-W485 HydrophobicContact CB-CB 3.62Å; P452-W485 HydrophobicContact CB-CD2 4.16Å; P452-W485 HydrophobicContact CB-CG 3.64Å; P452-W485 HydrophobicContact CG-CB 3.66Å; P452-W485 HydrophobicContact CG-CD2 4.38Å; P452-W485 HydrophobicContact CG-CG 3.53Å; S472-W485 CarbonylContact O-C 3.47Å; S472-W485 VanDerWaalsContact O-CA 3.26Å; S472-W485 WeakPolarHBondContact O-CA 3.34Å; K473-W485 HydrophobicContact CB-CD2 4.2Å; K473-W485 HydrophobicContact CB-CZ2 4.26Å; K473-W485 HydrophobicContact CD-CZ2 4.02Å; K473-W485 HydrophobicContact CG-CZ2 4.23Å |
| 486 | A | 77.4 | Confident | 68.6 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 146.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F471 S472 I488 I506 L507 A508 L566 | F471-A486 CarbonylContact C-O 3.13Å; F471-A486 WeakPolarHBondContact CA-O 3.37Å; S472-A486 PolarHBondContact N-O 2.76Å; S472-A486 PolarHBondContact O-N 2.87Å; A486-I488 HydrophobicContact CB-CD1 4.46Å; A486-I488 HydrophobicContact CB-CG1 4.26Å; A486-I506 HydrophobicContact CB-CG2 4.08Å; A486-L507 CarbonylContact C-O 3.54Å; A486-L507 VanDerWaalsContact CA-O 3.31Å; A486-L507 WeakPolarHBondContact CA-O 3.47Å; A486-A508 HydrophobicContact CB-CB 3.93Å; A486-L566 HydrophobicContact CB-CD1 3.46Å; A486-L566 VanDerWaalsContact CB-CD1 3.46Å; A486-L566 HydrophobicContact CB-CD2 4.23Å; A486-L566 HydrophobicContact CB-CG 4.5Å |
| 487 | D | 82.5 | Confident | 69.8 | Low | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 108.5 | 175.2 | 176.5 | 12.1 | 0 | 0 | 0 | 107 | R469 F471 Y489 I506 L507 | R469-D487 VanDerWaalsContact CG-OD1 3.25Å; R469-D487 WeakPolarHBondContact CG-OD1 3.18Å; R469-D487 IonicContact CZ-OD1 3.2Å; R469-D487 IonicContact CZ-OD2 2.9Å; R469-D487 IonicContact NE-OD1 3.19Å; R469-D487 PolarHBondContact NE-OD1 2.86Å; R469-D487 IonicContact NE-OD2 2.72Å; R469-D487 PolarHBondContact NE-OD2 3.11Å; R469-D487 IonicContact NH2-OD1 2.74Å; R469-D487 IonicContact NH2-OD2 2.71Å; R469-D487 PolarHBondContact NH2-OD2 3.14Å; F471-D487 HydrophobicContact CD1-CB 3.91Å; F471-D487 HydrophobicContact CE1-CB 4.05Å; F471-D487 VanDerWaalsContact CE1-OD1 3.22Å; F471-D487 WeakPolarHBondContact CE1-OD1 3.31Å; D487-Y489 WeakPolarHBondContact O-CD1 3.44Å; D487-I506 WeakPolarHBondContact O-CA 3.43Å; D487-L507 HydrophobicContact CB-CB 4.15Å; D487-L507 PolarHBondContact N-O 3.27Å; D487-L507 PolarHBondContact O-N 2.95Å |
| 488 | I | 89.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118 | -166.4 | -56.4 | 166.9 | 0 | 0 | 0 | 107.5 | R469 A470 A486 L493 F504 D505 I506 V564 L566 A571 Y576 | R469-I488 WeakPolarHBondContact CA-O 3.34Å; A470-I488 HydrophobicContact CB-CB 4.44Å; A470-I488 PolarHBondContact N-O 2.77Å; A470-I488 PolarHBondContact O-N 2.79Å; A486-I488 HydrophobicContact CB-CD1 4.46Å; A486-I488 HydrophobicContact CB-CG1 4.26Å; I488-L493 HydrophobicContact CG2-CD1 3.73Å; I488-L493 HydrophobicContact CG2-CD2 4.12Å; I488-F504 HydrophobicContact CG2-CD2 4.33Å; I488-D505 WeakPolarHBondContact CA-O 3.33Å; I488-I506 HydrophobicContact CG1-CG1 4.27Å; I488-I506 HydrophobicContact CG1-CG2 4.12Å; I488-I506 HydrophobicContact CG2-CG1 4.39Å; I488-V564 HydrophobicContact CD1-CG1 4.06Å; I488-L566 HydrophobicContact CD1-CD1 4.4Å; I488-A571 HydrophobicContact CD1-CB 3.62Å; I488-Y576 HydrophobicContact CG2-CE2 4.43Å |
| 489 | Y | 85.2 | Confident | 72.9 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 161.4 | -170.9 | 58.9 | -90.1 | 0 | 0 | 0 | 114 | D487 F504 D505 L507 H539 | D487-Y489 WeakPolarHBondContact O-CD1 3.44Å; Y489-F504 WeakPolarHBondContact O-CA 3.2Å; Y489-F504 WeakPolarHBondContact O-CB 3.4Å; Y489-D505 HydrophobicContact CD2-CB 4.31Å; Y489-D505 HydrophobicContact CE1-CB 4.24Å; Y489-D505 HydrophobicContact CE2-CB 3.63Å; Y489-D505 PolarHBondContact N-O 3.01Å; Y489-D505 PolarHBondContact O-N 3.06Å; Y489-L507 HydrophobicContact CE1-CB 4.4Å; Y489-L507 HydrophobicContact CE1-CD1 3.78Å; Y489-L507 HydrophobicContact CE1-CG 3.93Å; Y489-H539 PolarHBondContact OH-NE2 2.93Å; Y489-H539 VanDerWaalsContact OH-NE2 3.11Å |
| 490 | G | 81.2 | Confident | 74.5 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 121.2 | 155 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G492 L493 | G490-G492 PolarHBondContact O-N 2.88Å; G490-G492 VanDerWaalsContact O-N 3.08Å; G490-L493 WeakPolarHBondContact O-CB 3.3Å; G490-L493 PolarHBondContact O-N 2.85Å; G490-L493 VanDerWaalsContact O-N 3.1Å |
| 491 | E | 74.3 | Confident | 76.3 | Confident | 115 Ų | 115 | 32.9 Ų | 32.9 | 54% | 0.537 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -54.9 | -31.6 | -174.3 | -73 | -162.7 | 118.2 | 0 | 0 | 114 | L493 Q494 M495 | E491-L493 PolarHBondContact O-N 2.85Å; E491-Q494 PolarHBondContact O-N 2.79Å; E491-M495 PolarHBondContact O-N 2.78Å; E491-M495 VanDerWaalsContact O-O 3.06Å |
| 492 | G | 85.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -63.1 | -3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G490 V503 Y544 V578 | G490-G492 PolarHBondContact O-N 2.88Å; G490-G492 VanDerWaalsContact O-N 3.08Å; G492-V503 WeakPolarHBondContact CA-O 3.31Å; G492-V503 PolarHBondContact N-O 2.95Å; G492-Y544 PolarHBondContact O-OH 2.95Å; G492-V578 WeakPolarHBondContact O-CG2 3.32Å |
| 493 | L | 87.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -94.4 | -10.8 | 169.8 | -59 | 167.4 | 0 | 0 | 0 | 113.4 | L468 I488 G490 E491 F504 Y576 | L468-L493 HydrophobicContact CB-CB 4.45Å; I488-L493 HydrophobicContact CG2-CD1 3.73Å; I488-L493 HydrophobicContact CG2-CD2 4.12Å; G490-L493 WeakPolarHBondContact O-CB 3.3Å; G490-L493 PolarHBondContact O-N 2.85Å; G490-L493 VanDerWaalsContact O-N 3.1Å; E491-L493 PolarHBondContact O-N 2.85Å; L493-F504 HydrophobicContact CD1-CB 4.12Å; L493-F504 HydrophobicContact CD2-CB 4.01Å; L493-F504 HydrophobicContact CD2-CD1 3.97Å; L493-F504 HydrophobicContact CD2-CD2 3.73Å; L493-F504 HydrophobicContact CD2-CE1 4.32Å; L493-F504 HydrophobicContact CD2-CE2 4.09Å; L493-F504 HydrophobicContact CD2-CG 3.65Å; L493-F504 HydrophobicContact CD2-CZ 4.37Å; L493-F504 HydrophobicContact CG-CB 3.69Å; L493-F504 HydrophobicContact CG-CD1 4.45Å; L493-F504 HydrophobicContact CG-CD2 4.3Å; L493-F504 HydrophobicContact CG-CG 3.94Å; L493-Y576 HydrophobicContact CB-CD1 4.04Å; L493-Y576 HydrophobicContact CB-CG 4.48Å; L493-Y576 HydrophobicContact CD1-CD1 4.48Å; L493-Y576 HydrophobicContact CD1-CE1 4.36Å; L493-Y576 HydrophobicContact CD2-CD1 3.93Å; L493-Y576 HydrophobicContact CD2-CD2 4.11Å; L493-Y576 HydrophobicContact CD2-CE1 4.3Å; L493-Y576 HydrophobicContact CD2-CG 3.84Å; L493-Y576 HydrophobicContact CG-CD1 4.36Å |
| 494 | Q | 83 | Confident | 81.9 | Confident | 63 Ų | 63 | 29.8 Ų | 29.8 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -44 | -177.7 | -166.1 | 179.8 | -40.9 | 0 | 0 | 112.7 | L468 E491 N579 | L468-Q494 HydrophobicContact CB-CB 4.48Å; L468-Q494 HydrophobicContact CD1-CB 3.52Å; L468-Q494 HydrophobicContact CD1-CG 3.67Å; E491-Q494 PolarHBondContact O-N 2.79Å; Q494-N579 PolarHBondContact O-N 2.83Å; Q494-N579 PolarHBondContact O-ND2 2.74Å |
| 495 | M | 81.7 | Confident | 83.3 | Confident | 34 Ų | 34 | 29.8 Ų | 29.8 | 17% | 0.167 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.8 | -171.2 | -55.4 | -167.4 | 63.1 | 0 | 0 | 112.1 | E491 N579 Y581 K611 N654 | E491-M495 PolarHBondContact O-N 2.78Å; E491-M495 VanDerWaalsContact O-O 3.06Å; M495-N579 VanDerWaalsContact CA-O 3.28Å; M495-N579 WeakPolarHBondContact CA-O 3.2Å; M495-Y581 HydrophobicContact CB-CD1 4.28Å; M495-Y581 HydrophobicContact CB-CE1 4.04Å; M495-Y581 HydrophobicContact CE-CD1 3.76Å; M495-Y581 HydrophobicContact CE-CE1 4.02Å; M495-Y581 HydrophobicContact CE-CG 4.43Å; M495-K611 WeakPolarHBondContact CE-O 3.42Å; M495-N654 VanDerWaalsContact CE-CG 3.49Å; M495-N654 WeakPolarHBondContact CE-ND2 3.26Å; M495-N654 WeakPolarHBondContact CE-OD1 3.37Å |
| 496 | A | 84.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | A498 A502 C546 V578 N579 S580 Y581 | A496-A498 PolarHBondContact O-N 3.18Å; A496-A502 HydrophobicContact CB-CB 3.81Å; A496-C546 HydrophobicContact CB-CB 4.08Å; A496-V578 HydrophobicContact CB-CG1 4.03Å; A496-N579 PolarHBondContact N-O 3.22Å; A496-S580 CarbonylContact O-C 3.56Å; A496-S580 VanDerWaalsContact O-CA 3.23Å; A496-S580 WeakPolarHBondContact O-CA 3.5Å; A496-Y581 WeakPolarHBondContact O-CD1 3.29Å; A496-Y581 PolarHBondContact O-N 3.13Å |
| 497 | C | 85.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 27.4 Ų | 27.4 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 123.1 | 167.8 | -178 | 0 | 0 | 0 | 0 | 108.1 | K500 Y581 | C497-K500 HydrophobicContact CB-CB 4.13Å; C497-K500 PolarHBondContact O-N 3.04Å; C497-K500 VanDerWaalsContact O-N 3.1Å; C497-Y581 CarbonylContact C-O 3.59Å; C497-Y581 WeakPolarHBondContact CA-O 3.44Å; C497-Y581 HydrophobicContact CB-CE1 4.17Å; C497-Y581 HydrophobicContact CB-CE2 4.14Å |
| 498 | A | 82.9 | Confident | 85 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 141.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A496 K500 C546 V549 Y581 D582 | A496-A498 PolarHBondContact O-N 3.18Å; A498-K500 PolarHBondContact O-N 3.15Å; A498-C546 CarbonylContact C-O 3.57Å; A498-C546 WeakPolarHBondContact CA-O 3.23Å; A498-V549 HydrophobicContact CB-CG2 4.11Å; A498-Y581 PolarHBondContact N-O 2.79Å; A498-D582 HydrophobicContact CB-CB 4.22Å |
| 499 | G | 79.8 | Confident | 84.3 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 55% | 0.546 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -15.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C546 | G499-C546 PolarHBondContact N-O 3.43Š|
| 500 | K | 80.8 | Confident | 83.7 | Confident | 50 Ų | 50 | 36 Ų | 36 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -108.3 | 154.6 | -176.6 | -68 | -166.7 | 175.6 | -173.7 | 0 | 113 | D222 C497 A498 A502 | D222-K500 IonicContact OD2-NZ 3.99Å; C497-K500 HydrophobicContact CB-CB 4.13Å; C497-K500 PolarHBondContact O-N 3.04Å; C497-K500 VanDerWaalsContact O-N 3.1Å; A498-K500 PolarHBondContact O-N 3.15Å; K500-A502 PolarHBondContact O-N 2.76Å |
| 501 | P | 82.2 | Confident | 83.7 | Confident | 48 Ų | 48 | 35.5 Ų | 35.5 | 31% | 0.312 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 115.4 | 174.9 | 25.7 | -33 | 0 | 0 | 0 | 111.5 | E543 Y544 I545 | P501-E543 HydrophobicContact CB-CG 3.9Å; P501-Y544 CarbonylContact C-O 3.53Å; P501-Y544 WeakPolarHBondContact CA-O 3.39Å; P501-I545 HydrophobicContact CB-CG1 4.36Å |
| 502 | A | 87.1 | Confident | 84.1 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A496 K500 E543 Y544 | A496-A502 HydrophobicContact CB-CB 3.81Å; K500-A502 PolarHBondContact O-N 2.76Å; A502-E543 WeakPolarHBondContact O-CA 3.29Å; A502-Y544 HydrophobicContact CB-CD1 4.18Å; A502-Y544 HydrophobicContact CB-CD2 4.45Å; A502-Y544 HydrophobicContact CB-CE1 3.68Å; A502-Y544 HydrophobicContact CB-CE2 3.97Å; A502-Y544 PolarHBondContact N-O 3.44Å; A502-Y544 PolarHBondContact O-N 2.74Å |
| 503 | V | 88 | Confident | 84 | Confident | 50 Ų | 50 | 36.7 Ų | 36.7 | 30% | 0.303 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.1 | -171.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | G492 R541 C542 E543 | G492-V503 WeakPolarHBondContact CA-O 3.31Å; G492-V503 PolarHBondContact N-O 2.95Å; V503-R541 HydrophobicContact CG1-CG 3.76Å; V503-C542 WeakPolarHBondContact CA-O 3.27Å; V503-E543 HydrophobicContact CG2-CG 4.43Å |
| 504 | F | 92.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.7 | 167.3 | 68 | -90.4 | 0 | 0 | 0 | 111.1 | I488 Y489 L493 I506 V518 I520 C542 Y544 V562 V564 | I488-F504 HydrophobicContact CG2-CD2 4.33Å; Y489-F504 WeakPolarHBondContact O-CA 3.2Å; Y489-F504 WeakPolarHBondContact O-CB 3.4Å; L493-F504 HydrophobicContact CD1-CB 4.12Å; L493-F504 HydrophobicContact CD2-CB 4.01Å; L493-F504 HydrophobicContact CD2-CD1 3.97Å; L493-F504 HydrophobicContact CD2-CD2 3.73Å; L493-F504 HydrophobicContact CD2-CE1 4.32Å; L493-F504 HydrophobicContact CD2-CE2 4.09Å; L493-F504 HydrophobicContact CD2-CG 3.65Å; L493-F504 HydrophobicContact CD2-CZ 4.37Å; L493-F504 HydrophobicContact CG-CB 3.69Å; L493-F504 HydrophobicContact CG-CD1 4.45Å; L493-F504 HydrophobicContact CG-CD2 4.3Å; L493-F504 HydrophobicContact CG-CG 3.94Å; F504-I506 HydrophobicContact CD2-CG1 4.27Å; F504-I506 HydrophobicContact CE2-CD1 4.11Å; F504-I506 HydrophobicContact CE2-CG1 4.13Å; F504-V518 HydrophobicContact CZ-CG1 4.2Å; F504-V518 HydrophobicContact CZ-CG2 4.4Å; F504-I520 HydrophobicContact CE1-CD1 4.45Å; F504-C542 HydrophobicContact CD1-CB 3.99Å; F504-C542 HydrophobicContact CD2-CB 4.15Å; F504-C542 HydrophobicContact CE1-CB 3.57Å; F504-C542 HydrophobicContact CE2-CB 3.75Å; F504-C542 HydrophobicContact CG-CB 4.27Å; F504-C542 HydrophobicContact CZ-CB 3.44Å; F504-C542 VanDerWaalsContact CZ-CB 3.44Å; F504-C542 PolarHBondContact N-O 2.61Å; F504-C542 PolarHBondContact O-N 3.15Å; F504-Y544 HydrophobicContact CD1-CE1 4.22Å; F504-Y544 HydrophobicContact CE1-CD1 4.37Å; F504-Y544 HydrophobicContact CE1-CE1 4.17Å; F504-V562 HydrophobicContact CE1-CG1 3.74Å; F504-V562 HydrophobicContact CZ-CG1 3.63Å; F504-V564 HydrophobicContact CE2-CG2 3.97Å; F504-V564 HydrophobicContact CZ-CG2 4.1Å |
| 505 | D | 91.3 | Very high | 83.9 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 150.8 | 179.4 | -73.7 | -40.6 | 0 | 0 | 0 | 110.9 | I488 Y489 H539 F540 R541 | I488-D505 WeakPolarHBondContact CA-O 3.33Å; Y489-D505 HydrophobicContact CD2-CB 4.31Å; Y489-D505 HydrophobicContact CE1-CB 4.24Å; Y489-D505 HydrophobicContact CE2-CB 3.63Å; Y489-D505 PolarHBondContact N-O 3.01Å; Y489-D505 PolarHBondContact O-N 3.06Å; D505-H539 IonicContact OD1-CE1 3.97Å; D505-H539 IonicContact OD1-NE2 2.9Å; D505-H539 IonicContact OD2-CE1 2.66Å; D505-H539 IonicContact OD2-NE2 3.64Å; D505-F540 CarbonylContact C-O 3.6Å; D505-F540 WeakPolarHBondContact CA-O 3.24Å; D505-R541 WeakPolarHBondContact OD1-CA 3.45Å; D505-R541 VanDerWaalsContact OD1-CB 3.25Å; D505-R541 WeakPolarHBondContact OD1-CB 3.47Å; D505-R541 WeakPolarHBondContact OD1-CG 3.46Å; D505-R541 IonicContact OD1-CZ 3.31Å; D505-R541 IonicContact OD1-NE 2.87Å; D505-R541 PolarHBondContact OD1-NE 3.26Å; D505-R541 IonicContact OD1-NH2 3.33Å; D505-R541 PolarHBondContact OD1-NH2 2.84Å; D505-R541 IonicContact OD2-CZ 3.16Å; D505-R541 IonicContact OD2-NE 2.75Å; D505-R541 IonicContact OD2-NH2 2.71Å; D505-R541 PolarHBondContact OD2-NH2 2.83Å |
| 506 | I | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 111.6 | 173.8 | -53.4 | 172.8 | 0 | 0 | 0 | 107.9 | A486 D487 I488 F504 A508 I516 H539 F540 V564 L566 | A486-I506 HydrophobicContact CB-CG2 4.08Å; D487-I506 WeakPolarHBondContact O-CA 3.43Å; I488-I506 HydrophobicContact CG1-CG1 4.27Å; I488-I506 HydrophobicContact CG1-CG2 4.12Å; I488-I506 HydrophobicContact CG2-CG1 4.39Å; F504-I506 HydrophobicContact CD2-CG1 4.27Å; F504-I506 HydrophobicContact CE2-CD1 4.11Å; F504-I506 HydrophobicContact CE2-CG1 4.13Å; I506-A508 HydrophobicContact CG2-CB 4.25Å; I506-I516 HydrophobicContact CD1-CG2 3.84Å; I506-H539 WeakPolarHBondContact O-CA 3.43Å; I506-F540 HydrophobicContact CB-CB 4.28Å; I506-F540 HydrophobicContact CB-CD2 4.36Å; I506-F540 HydrophobicContact CG2-CD2 4.38Å; I506-F540 PolarHBondContact N-O 3.15Å; I506-F540 PolarHBondContact O-N 2.94Å; I506-V564 HydrophobicContact CD1-CG1 3.85Å; I506-L566 HydrophobicContact CG2-CD2 4.45Å |
| 507 | L | 85.5 | Confident | 84.5 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.2 | 167.8 | -78.9 | 171.6 | 0 | 0 | 0 | 109.7 | A486 D487 Y489 Y509 G538 H539 | A486-L507 CarbonylContact C-O 3.54Å; A486-L507 VanDerWaalsContact CA-O 3.31Å; A486-L507 WeakPolarHBondContact CA-O 3.47Å; D487-L507 HydrophobicContact CB-CB 4.15Å; D487-L507 PolarHBondContact N-O 3.27Å; D487-L507 PolarHBondContact O-N 2.95Å; Y489-L507 HydrophobicContact CE1-CB 4.4Å; Y489-L507 HydrophobicContact CE1-CD1 3.78Å; Y489-L507 HydrophobicContact CE1-CG 3.93Å; L507-Y509 HydrophobicContact CD2-CE1 4.38Å; L507-Y509 HydrophobicContact CD2-CE2 4.32Å; L507-G538 CarbonylContact C-O 3.46Å; L507-G538 WeakPolarHBondContact CA-O 3.41Å; L507-H539 HydrophobicContact CD2-CB 3.94Å; L507-H539 WeakPolarHBondContact CD2-CD2 3.23Å |
| 508 | A | 85.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -144.2 | 76.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V484 A486 I506 S510 L511 G538 F540 | V484-A508 HydrophobicContact CG1-CB 4.38Å; A486-A508 HydrophobicContact CB-CB 3.93Å; I506-A508 HydrophobicContact CG2-CB 4.25Å; A508-S510 PolarHBondContact O-N 3.43Å; A508-L511 HydrophobicContact CB-CB 4.14Å; A508-L511 HydrophobicContact CB-CD1 3.85Å; A508-L511 HydrophobicContact CB-CG 4Å; A508-L511 PolarHBondContact O-N 2.85Å; A508-G538 CarbonylContact C-O 3.48Å; A508-G538 PolarHBondContact N-O 3.29Å; A508-F540 HydrophobicContact CB-CE2 4.25Å | ||
| 509 | Y | 75.2 | Confident | 85.2 | Confident | 158 Ų | 158 | 48.7 Ų | 48.7 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -4.7 | -171.7 | -68.1 | -68.7 | 0 | 0 | 0 | 118 | L507 | L507-Y509 HydrophobicContact CD2-CE1 4.38Å; L507-Y509 HydrophobicContact CD2-CE2 4.32Å |
| 510 | S | 72.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 57% | 0.573 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 6.6 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 113.9 | V484 A508 | V484-S510 VanDerWaalsContact CG2-CB 3.5Å; A508-S510 PolarHBondContact O-N 3.43Å |
| 511 | L | 81.2 | Confident | 85.9 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -98.4 | 167.2 | 167.8 | -61.3 | -172.9 | 0 | 0 | 0 | 110.3 | I476 V484 A508 D515 I516 F540 L566 S567 | I476-L511 HydrophobicContact CD1-CD2 3.68Å; V484-L511 HydrophobicContact CB-CD2 4.21Å; V484-L511 HydrophobicContact CB-CG 4.33Å; V484-L511 HydrophobicContact CG1-CD2 4.36Å; V484-L511 HydrophobicContact CG1-CG 3.97Å; V484-L511 HydrophobicContact CG2-CD2 4.14Å; A508-L511 HydrophobicContact CB-CB 4.14Å; A508-L511 HydrophobicContact CB-CD1 3.85Å; A508-L511 HydrophobicContact CB-CG 4Å; A508-L511 PolarHBondContact O-N 2.85Å; L511-D515 HydrophobicContact CB-CB 4.08Å; L511-D515 HydrophobicContact CD2-CB 3.97Å; L511-D515 HydrophobicContact CG-CB 4.44Å; L511-I516 HydrophobicContact CB-CD1 4.03Å; L511-I516 HydrophobicContact CD1-CD1 3.52Å; L511-I516 HydrophobicContact CG-CD1 4.41Å; L511-F540 HydrophobicContact CB-CE2 4.3Å; L511-F540 HydrophobicContact CB-CZ 4.45Å; L511-L566 HydrophobicContact CD1-CB 4.03Å; L511-L566 HydrophobicContact CD1-CD2 3.98Å; L511-S567 WeakPolarHBondContact CD2-OG 3.41Å | ||
| 512 | T | 83.5 | Confident | 85.7 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | trans | -125.2 | 170.8 | 170.2 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | K514 D515 I516 | T512-K514 PolarHBondContact O-N 2.66Å; T512-K514 PolarHBondContact OG1-N 2.92Å; T512-D515 WeakPolarHBondContact CA-OD2 3.27Å; T512-D515 WeakPolarHBondContact CB-OD2 3.42Å; T512-D515 PolarHBondContact N-OD2 2.74Å; T512-D515 PolarHBondContact O-N 3.03Å; T512-D515 PolarHBondContact OG1-OD2 3.15Å; T512-I516 PolarHBondContact O-N 2.98Å | ||
| 513 | L | 82.7 | Confident | 84.8 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19.9 | 175.7 | -116.5 | 168.3 | 0 | 0 | 0 | 115.2 | L532 E534 F540 | L513-L532 HydrophobicContact CD2-CB 4.38Å; L513-L532 HydrophobicContact CD2-CD2 3.81Å; L513-L532 HydrophobicContact CD2-CG 3.87Å; L513-E534 HydrophobicContact CD1-CB 3.67Å; L513-E534 HydrophobicContact CG-CB 3.98Å; L513-F540 HydrophobicContact CB-CE1 4.41Å; L513-F540 HydrophobicContact CG-CD1 4.16Å; L513-F540 HydrophobicContact CG-CE1 4.29Å |
| 514 | K | 82.2 | Confident | 84 | Confident | 199 Ų | 199 | 45.4 Ų | 45.4 | 87% | 0.865 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -17.6 | 175.2 | -65.7 | -170.2 | 177.5 | -170.9 | 0 | 114.2 | T512 | T512-K514 PolarHBondContact O-N 2.66Å; T512-K514 PolarHBondContact OG1-N 2.92Å |
| 515 | D | 85.5 | Confident | 83 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.6 | 179.1 | -48.8 | -80.7 | 0 | 0 | 0 | 111.6 | L511 T512 L566 S567 | L511-D515 HydrophobicContact CB-CB 4.08Å; L511-D515 HydrophobicContact CD2-CB 3.97Å; L511-D515 HydrophobicContact CG-CB 4.44Å; T512-D515 WeakPolarHBondContact CA-OD2 3.27Å; T512-D515 WeakPolarHBondContact CB-OD2 3.42Å; T512-D515 PolarHBondContact N-OD2 2.74Å; T512-D515 PolarHBondContact O-N 3.03Å; T512-D515 PolarHBondContact OG1-OD2 3.15Å; D515-L566 CarbonylContact O-C 3.57Å; D515-L566 WeakPolarHBondContact O-CA 2.98Å; D515-S567 PolarHBondContact O-N 2.87Å |
| 516 | I | 89.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.2 | 175.9 | -51.2 | -63.9 | 0 | 0 | 0 | 108.7 | I506 L511 T512 V518 L532 F540 L566 | I506-I516 HydrophobicContact CD1-CG2 3.84Å; L511-I516 HydrophobicContact CB-CD1 4.03Å; L511-I516 HydrophobicContact CD1-CD1 3.52Å; L511-I516 HydrophobicContact CG-CD1 4.41Å; T512-I516 PolarHBondContact O-N 2.98Å; I516-V518 HydrophobicContact CG2-CG2 4.2Å; I516-L532 HydrophobicContact CB-CD2 3.92Å; I516-L532 HydrophobicContact CG2-CD1 4.38Å; I516-L532 HydrophobicContact CG2-CD2 3.65Å; I516-F540 HydrophobicContact CD1-CD2 3.91Å; I516-F540 HydrophobicContact CD1-CE2 3.9Å; I516-F540 HydrophobicContact CG1-CD1 4.19Å; I516-F540 HydrophobicContact CG1-CD2 3.73Å; I516-F540 HydrophobicContact CG1-CE1 4.25Å; I516-F540 HydrophobicContact CG1-CE2 3.8Å; I516-F540 HydrophobicContact CG1-CG 3.94Å; I516-F540 HydrophobicContact CG1-CZ 4.07Å; I516-L566 HydrophobicContact CD1-CD2 3.5Å; I516-L566 VanDerWaalsContact CD1-CD2 3.5Å |
| 517 | G | 88.6 | Confident | 81.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S565 | G517-S565 WeakPolarHBondContact CA-OG 3.45Å; G517-S565 PolarHBondContact N-O 3.47Å; G517-S565 WeakPolarHBondContact O-CA 3.32Å; G517-S565 PolarHBondContact O-N 2.78Å; G517-S565 PolarHBondContact O-OG 3.45Å |
| 518 | V | 93.7 | Very high | 81.7 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.8 | 170.9 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | F504 I516 I520 H530 L532 V562 D563 | F504-V518 HydrophobicContact CZ-CG1 4.2Å; F504-V518 HydrophobicContact CZ-CG2 4.4Å; I516-V518 HydrophobicContact CG2-CG2 4.2Å; V518-I520 HydrophobicContact CG1-CD1 4.09Å; V518-I520 HydrophobicContact CG1-CG1 3.73Å; V518-H530 PolarHBondContact O-CE1 2.89Å; V518-H530 PolarHBondContact O-NE2 3.28Å; V518-L532 HydrophobicContact CG2-CD1 4.32Å; V518-V562 HydrophobicContact CG1-CG1 4.41Å; V518-D563 CarbonylContact C-O 3.48Å; V518-D563 WeakPolarHBondContact CA-O 3.18Å |
| 519 | K | 90.1 | Very high | 81.5 | Confident | 101 Ų | 101 | 66.8 Ų | 66.8 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.3 | 160 | -77.4 | -155.6 | 169.5 | -151.5 | 0 | 109.1 | E527 V562 D563 | K519-E527 WeakPolarHBondContact CD-OE1 3.31Å; K519-E527 WeakPolarHBondContact CE-OE1 3.46Å; K519-E527 WeakPolarHBondContact CE-OE2 3.29Å; K519-E527 WeakPolarHBondContact CG-OE1 3.34Å; K519-E527 VanDerWaalsContact NZ-CD 3.34Å; K519-E527 IonicContact NZ-OE1 2.82Å; K519-E527 PolarHBondContact NZ-OE1 2.92Å; K519-E527 IonicContact NZ-OE2 3.4Å; K519-E527 PolarHBondContact NZ-OE2 3.47Å; K519-V562 CarbonylContact O-C 3.52Å; K519-D563 HydrophobicContact CB-CB 4.21Å; K519-D563 PolarHBondContact N-O 3.12Å; K519-D563 PolarHBondContact O-N 3.35Å |
| 520 | I | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.6 | 177.9 | -54.4 | -167.8 | 0 | 0 | 0 | 106.4 | F504 V518 E527 L528 H530 Y544 V560 R561 V562 | F504-I520 HydrophobicContact CE1-CD1 4.45Å; V518-I520 HydrophobicContact CG1-CD1 4.09Å; V518-I520 HydrophobicContact CG1-CG1 3.73Å; I520-E527 CarbonylContact O-C 3.52Å; I520-E527 WeakPolarHBondContact O-CA 3.49Å; I520-L528 HydrophobicContact CB-CB 4.36Å; I520-L528 HydrophobicContact CG2-CB 4.15Å; I520-L528 HydrophobicContact CG2-CD1 4.12Å; I520-L528 PolarHBondContact O-N 3.35Å; I520-H530 HydrophobicContact CD1-CB 3.82Å; I520-H530 HydrophobicContact CG1-CB 4.32Å; I520-Y544 HydrophobicContact CD1-CD1 3.3Å; I520-Y544 HydrophobicContact CD1-CD2 4.04Å; I520-Y544 HydrophobicContact CD1-CE1 3.89Å; I520-Y544 HydrophobicContact CD1-CG 3.37Å; I520-Y544 HydrophobicContact CG2-CD2 3.94Å; I520-Y544 HydrophobicContact CG2-CE2 4.14Å; I520-Y544 HydrophobicContact CG2-CG 4.33Å; I520-V560 HydrophobicContact CG2-CG1 3.48Å; I520-V560 VanDerWaalsContact CG2-CG1 3.48Å; I520-R561 WeakPolarHBondContact CA-O 3.25Å; I520-V562 HydrophobicContact CD1-CG1 4.44Å; I520-V562 HydrophobicContact CD1-CG2 4.19Å; I520-V562 HydrophobicContact CG1-CG1 4.27Å; I520-V562 HydrophobicContact CG1-CG2 4.19Å; I520-V562 HydrophobicContact CG2-CG2 4.1Å |
| 521 | M | 85 | Confident | 83 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.6 | 177.6 | -52.8 | -70.5 | -82.1 | 0 | 0 | 108.7 | G525 K526 E527 R561 | M521-G525 WeakPolarHBondContact CE-O 3.4Å; M521-K526 CarbonylContact C-O 3.54Å; M521-K526 WeakPolarHBondContact CA-O 3.42Å; M521-E527 HydrophobicContact SD-CB 4.17Å; M521-E527 HydrophobicContact SD-CG 4.36Å; M521-R561 HydrophobicContact CB-CB 4.22Å; M521-R561 PolarHBondContact N-O 2.85Å; M521-R561 PolarHBondContact O-N 3.01Å |
| 522 | S | 77.5 | Confident | 83.5 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | trans | -59.1 | 168.1 | 165.7 | 81.2 | 0 | 0 | 0 | 0 | 109.9 | D524 G525 K526 | S522-D524 VanDerWaalsContact C-N 3.31Å; S522-D524 WeakPolarHBondContact CB-OD1 3.46Å; S522-D524 PolarHBondContact O-N 2.84Å; S522-D524 PolarHBondContact OG-N 3.5Å; S522-D524 PolarHBondContact OG-OD1 3.5Å; S522-G525 PolarHBondContact O-N 2.78Å; S522-G525 PolarHBondContact OG-N 3.44Å; S522-K526 WeakPolarHBondContact CB-O 3.38Å; S522-K526 PolarHBondContact N-O 3.17Å; S522-K526 PolarHBondContact OG-N 2.95Å; S522-K526 VanDerWaalsContact OG-N 3.09Å; S522-K526 PolarHBondContact OG-O 2.96Å | ||
| 523 | M | 68.2 | Low | 83.7 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -49.2 | 174.3 | -66.8 | 179.6 | -60.4 | 0 | 0 | 110.1 | G525 E548 G550 R558 V560 | M523-G525 PolarHBondContact O-N 2.96Å; M523-E548 HydrophobicContact CE-CB 3.46Å; M523-E548 VanDerWaalsContact CE-CB 3.46Å; M523-E548 WeakPolarHBondContact CE-O 3.36Å; M523-G550 WeakPolarHBondContact SD-CA 3.38Å; M523-G550 PolarHBondContact SD-N 2.81Å; M523-R558 VanDerWaalsContact C-CD 3.47Å; M523-R558 HydrophobicContact CB-CB 3.77Å; M523-R558 HydrophobicContact CG-CB 4.05Å; M523-R558 WeakPolarHBondContact CG-O 3.49Å; M523-R558 WeakPolarHBondContact O-CD 3.37Å; M523-R558 PolarHBondContact O-NE 3.37Å; M523-R558 PolarHBondContact O-NH1 2.82Å; M523-V560 HydrophobicContact CG-CG2 4.39Å |
| 524 | D | 71.2 | Confident | 83.9 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 13.5 | 172.8 | 47.9 | -30 | 0 | 0 | 0 | 116.2 | S522 K526 | S522-D524 VanDerWaalsContact C-N 3.31Å; S522-D524 WeakPolarHBondContact CB-OD1 3.46Å; S522-D524 PolarHBondContact O-N 2.84Å; S522-D524 PolarHBondContact OG-N 3.5Å; S522-D524 PolarHBondContact OG-OD1 3.5Å; D524-K526 VanDerWaalsContact C-N 3.3Å; D524-K526 PolarHBondContact O-N 3.41Å; D524-K526 WeakPolarHBondContact OD2-CD 3.45Å; D524-K526 WeakPolarHBondContact OD2-CE 3.45Å; D524-K526 IonicContact OD2-NZ 3.22Å; D524-K526 PolarHBondContact OD2-NZ 2.92Å |
| 525 | G | 70.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 72.4 | 18.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | M521 S522 M523 | M521-G525 WeakPolarHBondContact CE-O 3.4Å; S522-G525 PolarHBondContact O-N 2.78Å; S522-G525 PolarHBondContact OG-N 3.44Å; M523-G525 PolarHBondContact O-N 2.96Å |
| 526 | K | 74.6 | Confident | 83.1 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | trans | -88.9 | 140.1 | 172.4 | -62.9 | 168 | -174.5 | 151.2 | 0 | 109.5 | M521 S522 D524 L528 | M521-K526 CarbonylContact C-O 3.54Å; M521-K526 WeakPolarHBondContact CA-O 3.42Å; S522-K526 WeakPolarHBondContact CB-O 3.38Å; S522-K526 PolarHBondContact N-O 3.17Å; S522-K526 PolarHBondContact OG-N 2.95Å; S522-K526 VanDerWaalsContact OG-N 3.09Å; S522-K526 PolarHBondContact OG-O 2.96Å; D524-K526 VanDerWaalsContact C-N 3.3Å; D524-K526 PolarHBondContact O-N 3.41Å; D524-K526 WeakPolarHBondContact OD2-CD 3.45Å; D524-K526 WeakPolarHBondContact OD2-CE 3.45Å; D524-K526 IonicContact OD2-NZ 3.22Å; D524-K526 PolarHBondContact OD2-NZ 2.92Å; K526-L528 PolarHBondContact O-N 3.28Å | ||
| 527 | E | 83.7 | Confident | 82.5 | Confident | 103 Ų | 103 | 69.4 Ų | 69.4 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 114.3 | 176.9 | -161.4 | 164.6 | 162.3 | 0 | 0 | 110.3 | K519 I520 M521 | K519-E527 WeakPolarHBondContact CD-OE1 3.31Å; K519-E527 WeakPolarHBondContact CE-OE1 3.46Å; K519-E527 WeakPolarHBondContact CE-OE2 3.29Å; K519-E527 WeakPolarHBondContact CG-OE1 3.34Å; K519-E527 VanDerWaalsContact NZ-CD 3.34Å; K519-E527 IonicContact NZ-OE1 2.82Å; K519-E527 PolarHBondContact NZ-OE1 2.92Å; K519-E527 IonicContact NZ-OE2 3.4Å; K519-E527 PolarHBondContact NZ-OE2 3.47Å; I520-E527 CarbonylContact O-C 3.52Å; I520-E527 WeakPolarHBondContact O-CA 3.49Å; M521-E527 HydrophobicContact SD-CB 4.17Å; M521-E527 HydrophobicContact SD-CG 4.36Å |
| 528 | L | 83.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | trans | -75.5 | 139.3 | 176.9 | -68.7 | 178.1 | 0 | 0 | 0 | 110.3 | I520 K526 H530 V560 | I520-L528 HydrophobicContact CB-CB 4.36Å; I520-L528 HydrophobicContact CG2-CB 4.15Å; I520-L528 HydrophobicContact CG2-CD1 4.12Å; I520-L528 PolarHBondContact O-N 3.35Å; K526-L528 PolarHBondContact O-N 3.28Å; L528-H530 PolarHBondContact O-N 2.86Å; L528-V560 HydrophobicContact CD1-CG1 4.3Å; L528-V560 HydrophobicContact CD1-CG2 4.47Å | ||
| 529 | F | 81.5 | Confident | 81.7 | Confident | 183 Ų | 183 | 68.1 Ų | 68.1 | 80% | 0.803 | 34% | 0.339 | S | S | * | . | trans | -65.9 | 128.9 | 173.4 | -173.5 | -91.1 | 0 | 0 | 0 | 110.2 | ||||
| 530 | H | 90.6 | Very high | 81.7 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.8 | 177.9 | 68.3 | -87.6 | 0 | 0 | 0 | 110 | V518 I520 L528 E543 | V518-H530 PolarHBondContact O-CE1 2.89Å; V518-H530 PolarHBondContact O-NE2 3.28Å; I520-H530 HydrophobicContact CD1-CB 3.82Å; I520-H530 HydrophobicContact CG1-CB 4.32Å; L528-H530 PolarHBondContact O-N 2.86Å; H530-E543 CarbonylContact C-O 3.45Å; H530-E543 WeakPolarHBondContact CA-O 3.29Å |
| 531 | R | 88.6 | Confident | 81.7 | Confident | 151 Ų | 151 | 68.5 Ų | 68.5 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.9 | 174.4 | 168.3 | 178.3 | -82 | 164.9 | -5.5 | 108.5 | T533 C542 E543 | R531-T533 HydrophobicContact CG-CG2 3.74Å; R531-C542 WeakPolarHBondContact O-CA 3.26Å; R531-E543 HydrophobicContact CB-CB 4.42Å; R531-E543 WeakPolarHBondContact CD-OE2 3.08Å; R531-E543 PolarHBondContact N-O 2.88Å; R531-E543 IonicContact NH1-OE2 2.73Å; R531-E543 PolarHBondContact O-N 2.92Å |
| 532 | L | 91.5 | Very high | 82.1 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.6 | 169.8 | -171.8 | 67.5 | 0 | 0 | 0 | 109.5 | L513 I516 V518 F540 R541 C542 | L513-L532 HydrophobicContact CD2-CB 4.38Å; L513-L532 HydrophobicContact CD2-CD2 3.81Å; L513-L532 HydrophobicContact CD2-CG 3.87Å; I516-L532 HydrophobicContact CB-CD2 3.92Å; I516-L532 HydrophobicContact CG2-CD1 4.38Å; I516-L532 HydrophobicContact CG2-CD2 3.65Å; V518-L532 HydrophobicContact CG2-CD1 4.32Å; L532-F540 HydrophobicContact CD1-CB 4.07Å; L532-R541 WeakPolarHBondContact CA-O 3.32Å; L532-C542 HydrophobicContact CD1-CB 3.93Å |
| 533 | T | 88.2 | Confident | 82.7 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 36% | 0.356 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.4 | -176.9 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | R531 F540 R541 | R531-T533 HydrophobicContact CG-CG2 3.74Å; T533-F540 CarbonylContact O-C 3.57Å; T533-F540 VanDerWaalsContact O-CA 3.29Å; T533-F540 WeakPolarHBondContact O-CA 3.26Å; T533-R541 PolarHBondContact N-O 3.2Å; T533-R541 PolarHBondContact O-N 3.44Å; T533-R541 PolarHBondContact OG1-O 2.94Å |
| 534 | E | 87.2 | Confident | 83.8 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.1 | 172 | -171.7 | 167 | -172.2 | 0 | 0 | 109.2 | L513 R536 P537 G538 F540 | L513-E534 HydrophobicContact CD1-CB 3.67Å; L513-E534 HydrophobicContact CG-CB 3.98Å; E534-R536 WeakPolarHBondContact CG-O 3.45Å; E534-P537 VanDerWaalsContact OE1-CA 3.31Å; E534-P537 WeakPolarHBondContact OE1-CA 3.24Å; E534-G538 PolarHBondContact OE1-N 2.78Å; E534-F540 HydrophobicContact CB-CD1 3.84Å; E534-F540 HydrophobicContact CB-CE1 3.94Å; E534-F540 HydrophobicContact CG-CD1 3.94Å; E534-F540 HydrophobicContact CG-CE1 3.69Å; E534-F540 WeakPolarHBondContact OE2-CE1 3.44Å |
| 535 | S | 75.3 | Confident | 84.6 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -25.9 | -174.2 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | H539 | S535-H539 PolarHBondContact N-O 2.9Å; S535-H539 PolarHBondContact OG-ND1 2.84Å; S535-H539 PolarHBondContact OG-O 3.01Å |
| 536 | R | 75.8 | Confident | 85 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 157.9 | 171.9 | 55.1 | -176.5 | 172.1 | -179.8 | -2.4 | 106.9 | E534 G538 H539 | E534-R536 WeakPolarHBondContact CG-O 3.45Å; R536-G538 PolarHBondContact O-N 2.63Å; R536-G538 VanDerWaalsContact O-N 3.08Å; R536-H539 HydrophobicContact CG-CB 3.45Å; R536-H539 VanDerWaalsContact CG-CB 3.45Å; R536-H539 PolarHBondContact NE-ND1 2.96Å; R536-H539 PolarHBondContact O-N 3.47Å |
| 537 | P | 76.2 | Confident | 84.9 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 71% | 0.708 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 115.9 | -173.6 | -31.8 | 37.4 | 0 | 0 | 0 | 113.6 | E534 | E534-P537 VanDerWaalsContact OE1-CA 3.31Å; E534-P537 WeakPolarHBondContact OE1-CA 3.24Å |
| 538 | G | 74.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 23.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L507 A508 E534 R536 | L507-G538 CarbonylContact C-O 3.46Å; L507-G538 WeakPolarHBondContact CA-O 3.41Å; A508-G538 CarbonylContact C-O 3.48Å; A508-G538 PolarHBondContact N-O 3.29Å; E534-G538 PolarHBondContact OE1-N 2.78Å; R536-G538 PolarHBondContact O-N 2.63Å; R536-G538 VanDerWaalsContact O-N 3.08Å |
| 539 | H | 89.4 | Confident | 83.5 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.06 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 95.1 | 169.2 | -175.9 | -121.3 | 0 | 0 | 0 | 109.6 | Y489 D505 I506 L507 S535 R536 | Y489-H539 PolarHBondContact OH-NE2 2.93Å; Y489-H539 VanDerWaalsContact OH-NE2 3.11Å; D505-H539 IonicContact OD1-CE1 3.97Å; D505-H539 IonicContact OD1-NE2 2.9Å; D505-H539 IonicContact OD2-CE1 2.66Å; D505-H539 IonicContact OD2-NE2 3.64Å; I506-H539 WeakPolarHBondContact O-CA 3.43Å; L507-H539 HydrophobicContact CD2-CB 3.94Å; L507-H539 WeakPolarHBondContact CD2-CD2 3.23Å; S535-H539 PolarHBondContact N-O 2.9Å; S535-H539 PolarHBondContact OG-ND1 2.84Å; S535-H539 PolarHBondContact OG-O 3.01Å; R536-H539 HydrophobicContact CG-CB 3.45Å; R536-H539 VanDerWaalsContact CG-CB 3.45Å; R536-H539 PolarHBondContact NE-ND1 2.96Å; R536-H539 PolarHBondContact O-N 3.47Å |
| 540 | F | 90.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.5 | -175.1 | -46.3 | -81.7 | 0 | 0 | 0 | 109.8 | D505 I506 A508 L511 L513 I516 L532 T533 E534 | D505-F540 CarbonylContact C-O 3.6Å; D505-F540 WeakPolarHBondContact CA-O 3.24Å; I506-F540 HydrophobicContact CB-CB 4.28Å; I506-F540 HydrophobicContact CB-CD2 4.36Å; I506-F540 HydrophobicContact CG2-CD2 4.38Å; I506-F540 PolarHBondContact N-O 3.15Å; I506-F540 PolarHBondContact O-N 2.94Å; A508-F540 HydrophobicContact CB-CE2 4.25Å; L511-F540 HydrophobicContact CB-CE2 4.3Å; L511-F540 HydrophobicContact CB-CZ 4.45Å; L513-F540 HydrophobicContact CB-CE1 4.41Å; L513-F540 HydrophobicContact CG-CD1 4.16Å; L513-F540 HydrophobicContact CG-CE1 4.29Å; I516-F540 HydrophobicContact CD1-CD2 3.91Å; I516-F540 HydrophobicContact CD1-CE2 3.9Å; I516-F540 HydrophobicContact CG1-CD1 4.19Å; I516-F540 HydrophobicContact CG1-CD2 3.73Å; I516-F540 HydrophobicContact CG1-CE1 4.25Å; I516-F540 HydrophobicContact CG1-CE2 3.8Å; I516-F540 HydrophobicContact CG1-CG 3.94Å; I516-F540 HydrophobicContact CG1-CZ 4.07Å; L532-F540 HydrophobicContact CD1-CB 4.07Å; T533-F540 CarbonylContact O-C 3.57Å; T533-F540 VanDerWaalsContact O-CA 3.29Å; T533-F540 WeakPolarHBondContact O-CA 3.26Å; E534-F540 HydrophobicContact CB-CD1 3.84Å; E534-F540 HydrophobicContact CB-CE1 3.94Å; E534-F540 HydrophobicContact CG-CD1 3.94Å; E534-F540 HydrophobicContact CG-CE1 3.69Å; E534-F540 WeakPolarHBondContact OE2-CE1 3.44Å |
| 541 | R | 91.8 | Very high | 80.2 | Confident | 109 Ų | 109 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126 | 172.3 | -179.6 | 159.3 | -72.3 | -162.2 | -7 | 109.6 | V503 D505 L532 T533 | V503-R541 HydrophobicContact CG1-CG 3.76Å; D505-R541 WeakPolarHBondContact OD1-CA 3.45Å; D505-R541 VanDerWaalsContact OD1-CB 3.25Å; D505-R541 WeakPolarHBondContact OD1-CB 3.47Å; D505-R541 WeakPolarHBondContact OD1-CG 3.46Å; D505-R541 IonicContact OD1-CZ 3.31Å; D505-R541 IonicContact OD1-NE 2.87Å; D505-R541 PolarHBondContact OD1-NE 3.26Å; D505-R541 IonicContact OD1-NH2 3.33Å; D505-R541 PolarHBondContact OD1-NH2 2.84Å; D505-R541 IonicContact OD2-CZ 3.16Å; D505-R541 IonicContact OD2-NE 2.75Å; D505-R541 IonicContact OD2-NH2 2.71Å; D505-R541 PolarHBondContact OD2-NH2 2.83Å; L532-R541 WeakPolarHBondContact CA-O 3.32Å; T533-R541 PolarHBondContact N-O 3.2Å; T533-R541 PolarHBondContact O-N 3.44Å; T533-R541 PolarHBondContact OG1-O 2.94Å |
| 542 | C | 92.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.1 | 169.4 | -163.7 | 0 | 0 | 0 | 0 | 110 | V503 F504 R531 L532 | V503-C542 WeakPolarHBondContact CA-O 3.27Å; F504-C542 HydrophobicContact CD1-CB 3.99Å; F504-C542 HydrophobicContact CD2-CB 4.15Å; F504-C542 HydrophobicContact CE1-CB 3.57Å; F504-C542 HydrophobicContact CE2-CB 3.75Å; F504-C542 HydrophobicContact CG-CB 4.27Å; F504-C542 HydrophobicContact CZ-CB 3.44Å; F504-C542 VanDerWaalsContact CZ-CB 3.44Å; F504-C542 PolarHBondContact N-O 2.61Å; F504-C542 PolarHBondContact O-N 3.15Å; R531-C542 WeakPolarHBondContact O-CA 3.26Å; L532-C542 HydrophobicContact CD1-CB 3.93Å |
| 543 | E | 91.3 | Very high | 75.1 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.3 | -178.9 | 173.5 | 179.9 | -132.1 | 0 | 0 | 108.5 | P501 A502 V503 H530 R531 | P501-E543 HydrophobicContact CB-CG 3.9Å; A502-E543 WeakPolarHBondContact O-CA 3.29Å; V503-E543 HydrophobicContact CG2-CG 4.43Å; H530-E543 CarbonylContact C-O 3.45Å; H530-E543 WeakPolarHBondContact CA-O 3.29Å; R531-E543 HydrophobicContact CB-CB 4.42Å; R531-E543 WeakPolarHBondContact CD-OE2 3.08Å; R531-E543 PolarHBondContact N-O 2.88Å; R531-E543 IonicContact NH1-OE2 2.73Å; R531-E543 PolarHBondContact O-N 2.92Å |
| 544 | Y | 91.6 | Very high | 72.5 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.1 | 178.1 | 72.2 | -84.2 | 0 | 0 | 0 | 111.3 | G492 P501 A502 F504 I520 V560 V562 V578 | G492-Y544 PolarHBondContact O-OH 2.95Å; P501-Y544 CarbonylContact C-O 3.53Å; P501-Y544 WeakPolarHBondContact CA-O 3.39Å; A502-Y544 HydrophobicContact CB-CD1 4.18Å; A502-Y544 HydrophobicContact CB-CD2 4.45Å; A502-Y544 HydrophobicContact CB-CE1 3.68Å; A502-Y544 HydrophobicContact CB-CE2 3.97Å; A502-Y544 PolarHBondContact N-O 3.44Å; A502-Y544 PolarHBondContact O-N 2.74Å; F504-Y544 HydrophobicContact CD1-CE1 4.22Å; F504-Y544 HydrophobicContact CE1-CD1 4.37Å; F504-Y544 HydrophobicContact CE1-CE1 4.17Å; I520-Y544 HydrophobicContact CD1-CD1 3.3Å; I520-Y544 HydrophobicContact CD1-CD2 4.04Å; I520-Y544 HydrophobicContact CD1-CE1 3.89Å; I520-Y544 HydrophobicContact CD1-CG 3.37Å; I520-Y544 HydrophobicContact CG2-CD2 3.94Å; I520-Y544 HydrophobicContact CG2-CE2 4.14Å; I520-Y544 HydrophobicContact CG2-CG 4.33Å; Y544-V560 HydrophobicContact CE2-CG1 3.87Å; Y544-V562 HydrophobicContact CE1-CG2 4.28Å; Y544-V578 WeakPolarHBondContact OH-CG1 3.41Å |
| 545 | I | 86.8 | Confident | 69.9 | Low | 89 Ų | 89 | 60 Ų | 60 | 46% | 0.456 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.6 | 178.8 | -59.8 | 173.7 | 0 | 0 | 0 | 109 | P501 | P501-I545 HydrophobicContact CB-CG1 4.36Å |
| 546 | C | 79.8 | Confident | 68 | Low | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | trans | -93.5 | 128 | 167.4 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | A496 A498 G499 E548 V560 | A496-C546 HydrophobicContact CB-CB 4.08Å; A498-C546 CarbonylContact C-O 3.57Å; A498-C546 WeakPolarHBondContact CA-O 3.23Å; G499-C546 PolarHBondContact N-O 3.43Å; C546-E548 PolarHBondContact SG-O 2.76Å; C546-V560 HydrophobicContact CB-CG2 4.34Å; C546-V560 VanDerWaalsContact SG-CG2 3.51Å | ||
| 547 | S | 72.8 | Confident | 66.6 | Low | 83 Ų | 83 | 59.5 Ų | 59.5 | 58% | 0.58 | 31% | 0.312 | S | S | * | . | trans | -86.1 | -16.8 | -178.2 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 548 | E | 68.4 | Low | 65.5 | Low | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -140.8 | 154.1 | -165.4 | -69.3 | -172.2 | -141.6 | 0 | 0 | 113.3 | M523 C546 S580 | M523-E548 HydrophobicContact CE-CB 3.46Å; M523-E548 VanDerWaalsContact CE-CB 3.46Å; M523-E548 WeakPolarHBondContact CE-O 3.36Å; C546-E548 PolarHBondContact SG-O 2.76Å; E548-S580 WeakPolarHBondContact O-CB 3.18Å; E548-S580 PolarHBondContact O-OG 2.68Å |
| 549 | V | 69.9 | Low | 65.2 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 127.9 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | A498 K551 S580 D582 K585 G610 | A498-V549 HydrophobicContact CB-CG2 4.11Å; V549-K551 PolarHBondContact O-N 2.91Å; V549-K551 VanDerWaalsContact O-N 3.14Å; V549-S580 WeakPolarHBondContact CA-OG 3.35Å; V549-D582 HydrophobicContact CG2-CB 3.3Å; V549-K585 HydrophobicContact CG2-CD 4.23Å; V549-G610 VanDerWaalsContact CG1-CA 3.43Å |
| 550 | G | 56.6 | Low | 64.7 | Low | 14 Ų | 14 | 58.8 Ų | 58.8 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 117.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | M523 K552 S580 | M523-G550 WeakPolarHBondContact SD-CA 3.38Å; M523-G550 PolarHBondContact SD-N 2.81Å; G550-K552 PolarHBondContact O-N 2.84Å; G550-S580 PolarHBondContact N-OG 2.82Å |
| 551 | K | 46.4 | Very low | 64.5 | Low | 114 Ų | 114 | 64 Ų | 64 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 122.3 | 176.5 | -75.1 | -173.7 | 178 | 173.6 | 0 | 109.7 | V549 F553 E997 | V549-K551 PolarHBondContact O-N 2.91Å; V549-K551 VanDerWaalsContact O-N 3.14Å; K551-F553 VanDerWaalsContact C-N 3.28Å; K551-F553 PolarHBondContact O-N 3.42Å; K551-F553 VanDerWaalsContact O-N 3.08Å; K551-E997 WeakPolarHBondContact CD-OE2 3.42Å; K551-E997 IonicContact NZ-OE1 3.86Å; K551-E997 PolarHBondContact NZ-OE1 2.83Å; K551-E997 IonicContact NZ-OE2 3.74Å |
| 552 | K | 40.2 | Very low | 64.5 | Low | 132 Ų | 132 | 58.9 Ų | 58.9 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | trans | -88.4 | 67 | -178.9 | -168.5 | -165.2 | 170.9 | -177.6 | 0 | 111.3 | G550 A632 | G550-K552 PolarHBondContact O-N 2.84Å; K552-A632 PolarHBondContact NZ-O 2.61Å | ||
| 553 | F | 32.5 | Very low | 64.4 | Low | 94 Ų | 94 | 60.6 Ų | 60.6 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | trans | -132.9 | 132.1 | 168.8 | -76.5 | -62.3 | 0 | 0 | 0 | 106.9 | K551 V1002 H1004 | K551-F553 VanDerWaalsContact C-N 3.28Å; K551-F553 PolarHBondContact O-N 3.42Å; K551-F553 VanDerWaalsContact O-N 3.08Å; F553-V1002 HydrophobicContact CB-CB 4.21Å; F553-V1002 HydrophobicContact CB-CG1 3.51Å; F553-V1002 HydrophobicContact CB-CG2 3.62Å; F553-V1002 HydrophobicContact CD1-CG1 3.76Å; F553-V1002 HydrophobicContact CG-CG1 4.03Å; F553-H1004 AromaticContact CD1-CE1 3.59Å; F553-H1004 AromaticContact CD1-NE2 3.54Å; F553-H1004 AromaticContact CE1-CE1 3.33Å; F553-H1004 WeakPolarHBondContact CE1-CE1 3.47Å; F553-H1004 AromaticContact CE1-NE2 3.77Å | ||
| 554 | G | 33.6 | Very low | 64.5 | Low | 32 Ų | 32 | 57.4 Ų | 57.4 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -97.6 | -171 | -137 | 0 | 0 | 0 | 0 | 0 | 120.8 | N1000 Y1001 V1002 | G554-N1000 CarbonylContact O-C 3.51Å; G554-N1000 WeakPolarHBondContact O-CA 3.29Å; G554-N1000 WeakPolarHBondContact O-CB 3.44Å; G554-Y1001 CarbonylContact O-C 3.59Å; G554-Y1001 PolarHBondContact O-N 2.53Å; G554-V1002 PolarHBondContact O-N 3.39Å |
| 555 | V | 31.8 | Very low | 64.4 | Low | 57 Ų | 57 | 58.9 Ų | 58.9 | 35% | 0.345 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 81.5 | -16 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 117.9 | Y1001 | V555-Y1001 VanDerWaalsContact CB-O 3.27Å; V555-Y1001 WeakPolarHBondContact CB-O 3.42Å; V555-Y1001 HydrophobicContact CG1-CD2 4.31Å; V555-Y1001 WeakPolarHBondContact CG2-O 3.3Å |
| 556 | Q | 36.2 | Very low | 64.5 | Low | 120 Ų | 120 | 54.7 Ų | 54.7 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -133.6 | -176.4 | 133.8 | -18.5 | 175.6 | -1 | 0 | 0 | 107.6 | G999 N1000 | Q556-G999 WeakPolarHBondContact CG-O 3.28Å; Q556-G999 PolarHBondContact NE2-O 3.41Å; Q556-N1000 WeakPolarHBondContact CA-OD1 3.3Å; Q556-N1000 HydrophobicContact CB-CB 4.49Å; Q556-N1000 WeakPolarHBondContact CB-OD1 3.14Å; Q556-N1000 VanDerWaalsContact CG-OD1 3.29Å; Q556-N1000 WeakPolarHBondContact CG-OD1 3.31Å |
| 557 | V | 45.5 | Very low | 64.7 | Low | 82 Ų | 82 | 56.7 Ų | 56.7 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | trans | -124.2 | 122.1 | 162.4 | -174.6 | 0 | 0 | 0 | 0 | 105.6 | L559 | V557-L559 HydrophobicContact CB-CD1 4.26Å; V557-L559 HydrophobicContact CB-CD2 4.34Å; V557-L559 HydrophobicContact CB-CG 4Å; V557-L559 HydrophobicContact CG1-CD2 3.71Å; V557-L559 HydrophobicContact CG1-CG 3.82Å; V557-L559 WeakPolarHBondContact O-CG 3.34Å; V557-L559 PolarHBondContact O-N 2.96Å | ||
| 558 | R | 53.5 | Low | 65 | Low | 74 Ų | 74 | 56 Ų | 56 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | trans | -67.3 | 107.1 | 166.7 | -71.3 | -125.7 | -172.5 | 128.7 | -4 | 108 | M523 E998 | M523-R558 VanDerWaalsContact C-CD 3.47Å; M523-R558 HydrophobicContact CB-CB 3.77Å; M523-R558 HydrophobicContact CG-CB 4.05Å; M523-R558 WeakPolarHBondContact CG-O 3.49Å; M523-R558 WeakPolarHBondContact O-CD 3.37Å; M523-R558 PolarHBondContact O-NE 3.37Å; M523-R558 PolarHBondContact O-NH1 2.82Å; R558-E998 WeakPolarHBondContact CD-OE2 3.29Å; R558-E998 HydrophobicContact CG-CB 3.78Å; R558-E998 VanDerWaalsContact CZ-CB 3.45Å; R558-E998 VanDerWaalsContact CZ-O 3.24Å; R558-E998 IonicContact CZ-OE1 3.95Å; R558-E998 IonicContact CZ-OE2 2.89Å; R558-E998 PolarHBondContact NE-O 2.82Å; R558-E998 IonicContact NE-OE2 2.61Å; R558-E998 IonicContact NH1-OE1 3.4Å; R558-E998 PolarHBondContact NH1-OE1 3.27Å; R558-E998 IonicContact NH1-OE2 3.31Å; R558-E998 PolarHBondContact NH1-OE2 3.03Å; R558-E998 PolarHBondContact NH2-O 2.82Å; R558-E998 VanDerWaalsContact NH2-O 3.17Å | ||
| 559 | L | 67.4 | Low | 65.6 | Low | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | trans | -109.3 | 148.6 | 179.4 | -66.9 | 166.2 | 0 | 0 | 0 | 107.4 | V557 R561 L577 V578 N579 | V557-L559 HydrophobicContact CB-CD1 4.26Å; V557-L559 HydrophobicContact CB-CD2 4.34Å; V557-L559 HydrophobicContact CB-CG 4Å; V557-L559 HydrophobicContact CG1-CD2 3.71Å; V557-L559 HydrophobicContact CG1-CG 3.82Å; V557-L559 WeakPolarHBondContact O-CG 3.34Å; V557-L559 PolarHBondContact O-N 2.96Å; L559-R561 PolarHBondContact O-N 3.03Å; L559-R561 VanDerWaalsContact O-N 3.11Å; L559-L577 HydrophobicContact CB-CB 3.93Å; L559-L577 HydrophobicContact CD1-CB 3.67Å; L559-L577 HydrophobicContact CD1-CD1 4.41Å; L559-L577 HydrophobicContact CG-CB 4.41Å; L559-V578 WeakPolarHBondContact CA-O 3.24Å; L559-V578 WeakPolarHBondContact CB-O 3.28Å; L559-V578 WeakPolarHBondContact CD2-O 3.45Å; L559-N579 HydrophobicContact CD2-CB 4.05Å; L559-N579 WeakPolarHBondContact CD2-OD1 3.31Å | ||
| 560 | V | 79.3 | Confident | 66.3 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 119.1 | 173.2 | 169 | 0 | 0 | 0 | 0 | 107.5 | I520 M523 L528 Y544 C546 V562 V578 | I520-V560 HydrophobicContact CG2-CG1 3.48Å; I520-V560 VanDerWaalsContact CG2-CG1 3.48Å; M523-V560 HydrophobicContact CG-CG2 4.39Å; L528-V560 HydrophobicContact CD1-CG1 4.3Å; L528-V560 HydrophobicContact CD1-CG2 4.47Å; Y544-V560 HydrophobicContact CE2-CG1 3.87Å; C546-V560 HydrophobicContact CB-CG2 4.34Å; C546-V560 VanDerWaalsContact SG-CG2 3.51Å; V560-V562 HydrophobicContact CG1-CG2 4.38Å; V560-V578 HydrophobicContact CB-CB 4.19Å; V560-V578 PolarHBondContact N-O 2.83Å; V560-V578 PolarHBondContact O-N 2.81Å |
| 561 | R | 86.9 | Confident | 67.6 | Low | 110 Ų | 110 | 58.5 Ų | 58.5 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.4 | -172.9 | 178.2 | -163.9 | 158.6 | 140.6 | 5.1 | 108.3 | I520 M521 L559 D563 P575 L577 | I520-R561 WeakPolarHBondContact CA-O 3.25Å; M521-R561 HydrophobicContact CB-CB 4.22Å; M521-R561 PolarHBondContact N-O 2.85Å; M521-R561 PolarHBondContact O-N 3.01Å; L559-R561 PolarHBondContact O-N 3.03Å; L559-R561 VanDerWaalsContact O-N 3.11Å; R561-D563 IonicContact CZ-OD1 2.68Å; R561-D563 IonicContact CZ-OD2 3.76Å; R561-D563 IonicContact NE-OD1 3.94Å; R561-D563 PolarHBondContact NE-OD1 2.98Å; R561-D563 IonicContact NE-OD2 3.67Å; R561-D563 PolarHBondContact NE-OD2 3.25Å; R561-D563 IonicContact NH2-OD1 2.71Å; R561-D563 PolarHBondContact NH2-OD1 3.32Å; R561-D563 IonicContact NH2-OD2 2.64Å; R561-D563 PolarHBondContact NH2-OD2 2.82Å; R561-P575 HydrophobicContact CG-CB 3.47Å; R561-P575 VanDerWaalsContact CG-CB 3.47Å; R561-P575 HydrophobicContact CG-CG 4.1Å; R561-L577 HydrophobicContact CB-CD2 4.3Å; R561-L577 HydrophobicContact CG-CD2 4.3Å |
| 562 | V | 91.6 | Very high | 69.1 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 102.2 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | F504 V518 K519 I520 Y544 V560 V564 P575 Y576 V578 | F504-V562 HydrophobicContact CE1-CG1 3.74Å; F504-V562 HydrophobicContact CZ-CG1 3.63Å; V518-V562 HydrophobicContact CG1-CG1 4.41Å; K519-V562 CarbonylContact O-C 3.52Å; I520-V562 HydrophobicContact CD1-CG1 4.44Å; I520-V562 HydrophobicContact CD1-CG2 4.19Å; I520-V562 HydrophobicContact CG1-CG1 4.27Å; I520-V562 HydrophobicContact CG1-CG2 4.19Å; I520-V562 HydrophobicContact CG2-CG2 4.1Å; Y544-V562 HydrophobicContact CE1-CG2 4.28Å; V560-V562 HydrophobicContact CG1-CG2 4.38Å; V562-V564 HydrophobicContact CG1-CG2 3.95Å; V562-P575 WeakPolarHBondContact O-CA 3.42Å; V562-Y576 PolarHBondContact N-O 2.81Å; V562-Y576 PolarHBondContact O-N 2.97Å; V562-V578 HydrophobicContact CG2-CG2 3.79Å |
| 563 | D | 91.1 | Very high | 70.7 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 19% | 0.193 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.4 | 166.6 | -70.8 | -75.2 | 0 | 0 | 0 | 109.4 | V518 K519 R561 S574 | V518-D563 CarbonylContact C-O 3.48Å; V518-D563 WeakPolarHBondContact CA-O 3.18Å; K519-D563 HydrophobicContact CB-CB 4.21Å; K519-D563 PolarHBondContact N-O 3.12Å; K519-D563 PolarHBondContact O-N 3.35Å; R561-D563 IonicContact CZ-OD1 2.68Å; R561-D563 IonicContact CZ-OD2 3.76Å; R561-D563 IonicContact NE-OD1 3.94Å; R561-D563 PolarHBondContact NE-OD1 2.98Å; R561-D563 IonicContact NE-OD2 3.67Å; R561-D563 PolarHBondContact NE-OD2 3.25Å; R561-D563 IonicContact NH2-OD1 2.71Å; R561-D563 PolarHBondContact NH2-OD1 3.32Å; R561-D563 IonicContact NH2-OD2 2.64Å; R561-D563 PolarHBondContact NH2-OD2 2.82Å; D563-S574 WeakPolarHBondContact CA-OG 3.39Å |
| 564 | V | 92.8 | Very high | 73.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.5 | 169.6 | -176 | 0 | 0 | 0 | 0 | 108.2 | I488 F504 I506 V562 L566 A571 S574 Y576 | I488-V564 HydrophobicContact CD1-CG1 4.06Å; F504-V564 HydrophobicContact CE2-CG2 3.97Å; F504-V564 HydrophobicContact CZ-CG2 4.1Å; I506-V564 HydrophobicContact CD1-CG1 3.85Å; V562-V564 HydrophobicContact CG1-CG2 3.95Å; V564-L566 HydrophobicContact CG1-CD2 4.21Å; V564-A571 HydrophobicContact CB-CB 4.1Å; V564-A571 HydrophobicContact CG1-CB 4.16Å; V564-A571 WeakPolarHBondContact O-CB 3.44Å; V564-A571 PolarHBondContact O-N 2.77Å; V564-S574 PolarHBondContact N-OG 2.83Å; V564-S574 PolarHBondContact O-OG 2.94Å; V564-Y576 HydrophobicContact CB-CE2 4.26Å; V564-Y576 HydrophobicContact CG2-CD2 4.12Å; V564-Y576 HydrophobicContact CG2-CE2 3.95Å |
| 565 | S | 89.1 | Confident | 75.6 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.8 | 174.9 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | G517 Q569 | G517-S565 WeakPolarHBondContact CA-OG 3.45Å; G517-S565 PolarHBondContact N-O 3.47Å; G517-S565 WeakPolarHBondContact O-CA 3.32Å; G517-S565 PolarHBondContact O-N 2.78Å; G517-S565 PolarHBondContact O-OG 3.45Å; S565-Q569 CarbonylContact C-O 3.55Å; S565-Q569 WeakPolarHBondContact CA-O 3.35Å; S565-Q569 WeakPolarHBondContact CB-O 3.36Å |
| 566 | L | 89.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 118.8 | -168.9 | -53.6 | 169.4 | 0 | 0 | 0 | 107.7 | V474 A486 I488 I506 L511 D515 I516 V564 G568 Q569 A571 | V474-L566 HydrophobicContact CB-CB 4.44Å; V474-L566 HydrophobicContact CG1-CB 4.05Å; V474-L566 WeakPolarHBondContact CG1-O 3.12Å; V474-L566 HydrophobicContact CG2-CB 3.49Å; V474-L566 VanDerWaalsContact CG2-CB 3.49Å; V474-L566 HydrophobicContact CG2-CD1 3.47Å; V474-L566 VanDerWaalsContact CG2-CD1 3.47Å; V474-L566 HydrophobicContact CG2-CG 4.13Å; A486-L566 HydrophobicContact CB-CD1 3.46Å; A486-L566 VanDerWaalsContact CB-CD1 3.46Å; A486-L566 HydrophobicContact CB-CD2 4.23Å; A486-L566 HydrophobicContact CB-CG 4.5Å; I488-L566 HydrophobicContact CD1-CD1 4.4Å; I506-L566 HydrophobicContact CG2-CD2 4.45Å; L511-L566 HydrophobicContact CD1-CB 4.03Å; L511-L566 HydrophobicContact CD1-CD2 3.98Å; D515-L566 CarbonylContact O-C 3.57Å; D515-L566 WeakPolarHBondContact O-CA 2.98Å; I516-L566 HydrophobicContact CD1-CD2 3.5Å; I516-L566 VanDerWaalsContact CD1-CD2 3.5Å; V564-L566 HydrophobicContact CG1-CD2 4.21Å; L566-G568 PolarHBondContact O-N 2.66Å; L566-Q569 PolarHBondContact N-O 3.27Å; L566-Q569 PolarHBondContact O-N 2.66Å; L566-A571 HydrophobicContact CD1-CB 3.81Å; L566-A571 HydrophobicContact CG-CB 4.2Å |
| 567 | S | 83.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 30.6 | -167.8 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | L511 D515 | L511-S567 WeakPolarHBondContact CD2-OG 3.41Å; D515-S567 PolarHBondContact O-N 2.87Å |
| 568 | G | 79.7 | Confident | 82.4 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 72% | 0.722 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -0.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L566 | L566-G568 PolarHBondContact O-N 2.66Š|
| 569 | Q | 81.2 | Confident | 83.7 | Confident | 87 Ų | 87 | 45.8 Ų | 45.8 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.8 | 170.3 | -66.6 | -171 | -6.7 | 0 | 0 | 110.7 | S565 L566 | S565-Q569 CarbonylContact C-O 3.55Å; S565-Q569 WeakPolarHBondContact CA-O 3.35Å; S565-Q569 WeakPolarHBondContact CB-O 3.36Å; L566-Q569 PolarHBondContact N-O 3.27Å; L566-Q569 PolarHBondContact O-N 2.66Å |
| 570 | P | 83.4 | Confident | 84.4 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 64% | 0.643 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 141.4 | 174.7 | 28.4 | -34.5 | 0 | 0 | 0 | 110.6 | ||
| 571 | A | 84.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 156.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S472 I488 V564 L566 K573 S574 | S472-A571 VanDerWaalsContact OG-CA 3.32Å; S472-A571 WeakPolarHBondContact OG-CA 3.41Å; I488-A571 HydrophobicContact CD1-CB 3.62Å; V564-A571 HydrophobicContact CB-CB 4.1Å; V564-A571 HydrophobicContact CG1-CB 4.16Å; V564-A571 WeakPolarHBondContact O-CB 3.44Å; V564-A571 PolarHBondContact O-N 2.77Å; L566-A571 HydrophobicContact CD1-CB 3.81Å; L566-A571 HydrophobicContact CG-CB 4.2Å; A571-K573 PolarHBondContact O-N 3.01Å; A571-S574 WeakPolarHBondContact O-CA 3.3Å; A571-S574 WeakPolarHBondContact O-CB 3.49Å; A571-S574 PolarHBondContact O-N 2.87Å |
| 572 | E | 77.1 | Confident | 84.7 | Confident | 109 Ų | 109 | 41.1 Ų | 41.1 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 135 | 172.5 | -159.2 | 169.6 | 144.6 | 0 | 0 | 110.3 | F471 S472 S574 Y576 | F471-E572 WeakPolarHBondContact O-CB 3.44Å; F471-E572 VanDerWaalsContact O-CD 3.3Å; S472-E572 PolarHBondContact OG-N 2.85Å; E572-S574 PolarHBondContact O-N 3.17Å; E572-Y576 PolarHBondContact O-OH 2.79Å |
| 573 | K | 75.5 | Confident | 84.3 | Confident | 130 Ų | 130 | 41.8 Ų | 41.8 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 6.7 | -167.6 | -52.1 | -179.7 | -171.4 | 170.2 | 0 | 116.5 | R469 A470 A571 P575 Y576 | R469-K573 PolarHBondContact O-NZ 3.43Å; A470-K573 HydrophobicContact CB-CD 4.02Å; A571-K573 PolarHBondContact O-N 3.01Å; K573-P575 CarbonylContact O-C 3.09Å; K573-P575 VanDerWaalsContact O-C 3.28Å; K573-Y576 HydrophobicContact CB-CE1 4.11Å |
| 574 | S | 83.4 | Confident | 83.8 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 137.9 | 167.8 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | D563 V564 A571 E572 | D563-S574 WeakPolarHBondContact CA-OG 3.39Å; V564-S574 PolarHBondContact N-OG 2.83Å; V564-S574 PolarHBondContact O-OG 2.94Å; A571-S574 WeakPolarHBondContact O-CA 3.3Å; A571-S574 WeakPolarHBondContact O-CB 3.49Å; A571-S574 PolarHBondContact O-N 2.87Å; E572-S574 PolarHBondContact O-N 3.17Å |
| 575 | P | 84.8 | Confident | 83.4 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | S | Bend | cis | -74.9 | 140.1 | -3 | 29.1 | -34.2 | 0 | 0 | 0 | 113.8 | R561 V562 K573 | R561-P575 HydrophobicContact CG-CB 3.47Å; R561-P575 VanDerWaalsContact CG-CB 3.47Å; R561-P575 HydrophobicContact CG-CG 4.1Å; V562-P575 WeakPolarHBondContact O-CA 3.42Å; K573-P575 CarbonylContact O-C 3.09Å; K573-P575 VanDerWaalsContact O-C 3.28Å |
| 576 | Y | 86.9 | Confident | 83.1 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 135 | 168.4 | -57.2 | -101.2 | 0 | 0 | 0 | 108.9 | L468 A470 I488 L493 V562 V564 E572 K573 | L468-Y576 HydrophobicContact CD2-CD1 4.1Å; L468-Y576 HydrophobicContact CD2-CE1 4.29Å; A470-Y576 HydrophobicContact CB-CE1 3.84Å; A470-Y576 WeakPolarHBondContact CB-OH 3.29Å; I488-Y576 HydrophobicContact CG2-CE2 4.43Å; L493-Y576 HydrophobicContact CB-CD1 4.04Å; L493-Y576 HydrophobicContact CB-CG 4.48Å; L493-Y576 HydrophobicContact CD1-CD1 4.48Å; L493-Y576 HydrophobicContact CD1-CE1 4.36Å; L493-Y576 HydrophobicContact CD2-CD1 3.93Å; L493-Y576 HydrophobicContact CD2-CD2 4.11Å; L493-Y576 HydrophobicContact CD2-CE1 4.3Å; L493-Y576 HydrophobicContact CD2-CG 3.84Å; L493-Y576 HydrophobicContact CG-CD1 4.36Å; V562-Y576 PolarHBondContact N-O 2.81Å; V562-Y576 PolarHBondContact O-N 2.97Å; V564-Y576 HydrophobicContact CB-CE2 4.26Å; V564-Y576 HydrophobicContact CG2-CD2 4.12Å; V564-Y576 HydrophobicContact CG2-CE2 3.95Å; E572-Y576 PolarHBondContact O-OH 2.79Å; K573-Y576 HydrophobicContact CB-CE1 4.11Å |
| 577 | L | 84.3 | Confident | 83 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 100.5 | -174.9 | -61.6 | -180 | 0 | 0 | 0 | 110.4 | L559 R561 | L559-L577 HydrophobicContact CB-CB 3.93Å; L559-L577 HydrophobicContact CD1-CB 3.67Å; L559-L577 HydrophobicContact CD1-CD1 4.41Å; L559-L577 HydrophobicContact CG-CB 4.41Å; R561-L577 HydrophobicContact CB-CD2 4.3Å; R561-L577 HydrophobicContact CG-CD2 4.3Å |
| 578 | V | 84.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.4 | -168 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | G492 A496 Y544 L559 V560 V562 | G492-V578 WeakPolarHBondContact O-CG2 3.32Å; A496-V578 HydrophobicContact CB-CG1 4.03Å; Y544-V578 WeakPolarHBondContact OH-CG1 3.41Å; L559-V578 WeakPolarHBondContact CA-O 3.24Å; L559-V578 WeakPolarHBondContact CB-O 3.28Å; L559-V578 WeakPolarHBondContact CD2-O 3.45Å; V560-V578 HydrophobicContact CB-CB 4.19Å; V560-V578 PolarHBondContact N-O 2.83Å; V560-V578 PolarHBondContact O-N 2.81Å; V562-V578 HydrophobicContact CG2-CG2 3.79Å |
| 579 | N | 81 | Confident | 83.3 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.9 | 179.8 | -57.5 | -106.8 | 0 | 0 | 0 | 109.2 | Q494 M495 A496 L559 K611 | Q494-N579 PolarHBondContact O-N 2.83Å; Q494-N579 PolarHBondContact O-ND2 2.74Å; M495-N579 VanDerWaalsContact CA-O 3.28Å; M495-N579 WeakPolarHBondContact CA-O 3.2Å; A496-N579 PolarHBondContact N-O 3.22Å; L559-N579 HydrophobicContact CD2-CB 4.05Å; L559-N579 WeakPolarHBondContact CD2-OD1 3.31Å; N579-K611 HydrophobicContact CB-CB 4.25Å; N579-K611 HydrophobicContact CB-CD 4.4Å; N579-K611 WeakPolarHBondContact OD1-CD 3.17Å |
| 580 | S | 83.1 | Confident | 83 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 145.3 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | A496 E548 V549 G550 | A496-S580 CarbonylContact O-C 3.56Å; A496-S580 VanDerWaalsContact O-CA 3.23Å; A496-S580 WeakPolarHBondContact O-CA 3.5Å; E548-S580 WeakPolarHBondContact O-CB 3.18Å; E548-S580 PolarHBondContact O-OG 2.68Å; V549-S580 WeakPolarHBondContact CA-OG 3.35Å; G550-S580 PolarHBondContact N-OG 2.82Å |
| 581 | Y | 85 | Confident | 82.9 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.2 | 178.8 | 73.6 | -87.6 | 0 | 0 | 0 | 111.4 | M495 A496 C497 A498 P583 A609 L653 N654 Q656 | M495-Y581 HydrophobicContact CB-CD1 4.28Å; M495-Y581 HydrophobicContact CB-CE1 4.04Å; M495-Y581 HydrophobicContact CE-CD1 3.76Å; M495-Y581 HydrophobicContact CE-CE1 4.02Å; M495-Y581 HydrophobicContact CE-CG 4.43Å; A496-Y581 WeakPolarHBondContact O-CD1 3.29Å; A496-Y581 PolarHBondContact O-N 3.13Å; C497-Y581 CarbonylContact C-O 3.59Å; C497-Y581 WeakPolarHBondContact CA-O 3.44Å; C497-Y581 HydrophobicContact CB-CE1 4.17Å; C497-Y581 HydrophobicContact CB-CE2 4.14Å; A498-Y581 PolarHBondContact N-O 2.79Å; Y581-P583 HydrophobicContact CD2-CG 4.2Å; Y581-P583 HydrophobicContact CE2-CG 4.01Å; Y581-A609 CarbonylContact C-O 3.51Å; Y581-A609 WeakPolarHBondContact CA-O 3.36Å; Y581-A609 WeakPolarHBondContact CB-O 3.43Å; Y581-L653 HydrophobicContact CD2-CD2 3.98Å; Y581-L653 HydrophobicContact CD2-CG 4.24Å; Y581-N654 WeakPolarHBondContact CD2-ND2 3.42Å; Y581-N654 HydrophobicContact CE2-CB 4.01Å; Y581-N654 VanDerWaalsContact CE2-ND2 3.31Å; Y581-N654 WeakPolarHBondContact CE2-ND2 3.05Å; Y581-N654 VanDerWaalsContact CG-ND2 3.33Å; Y581-Q656 HydrophobicContact CE2-CG 4.21Å |
| 582 | D | 86.8 | Confident | 82 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | trans | -142.7 | 103.2 | -175.5 | -179.7 | -5.9 | 0 | 0 | 0 | 111.3 | A498 V549 A584 K585 A609 | A498-D582 HydrophobicContact CB-CB 4.22Å; V549-D582 HydrophobicContact CG2-CB 3.3Å; D582-A584 PolarHBondContact O-N 3.47Å; D582-A584 WeakPolarHBondContact OD1-CA 3.41Å; D582-A584 VanDerWaalsContact OD1-CB 3.28Å; D582-A584 WeakPolarHBondContact OD1-CB 3.44Å; D582-A584 PolarHBondContact OD1-N 2.8Å; D582-K585 HydrophobicContact CB-CB 4.33Å; D582-K585 HydrophobicContact CB-CD 4.09Å; D582-K585 HydrophobicContact CB-CG 4.3Å; D582-K585 PolarHBondContact O-N 2.87Å; D582-K585 VanDerWaalsContact O-N 3.11Å; D582-K585 WeakPolarHBondContact OD2-CD 3.47Å; D582-K585 WeakPolarHBondContact OD2-CE 3.28Å; D582-K585 WeakPolarHBondContact OD2-CG 3.48Å; D582-K585 IonicContact OD2-NZ 2.65Å; D582-A609 PolarHBondContact N-O 2.73Å; D582-A609 VanDerWaalsContact O-CB 3.31Å; D582-A609 WeakPolarHBondContact O-CB 3.31Å | ||
| 583 | P | 82.1 | Confident | 81.4 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.3 | -19.9 | 177.3 | -21.9 | 33.2 | 0 | 0 | 0 | 114.5 | Y581 K585 V586 Q656 | Y581-P583 HydrophobicContact CD2-CG 4.2Å; Y581-P583 HydrophobicContact CE2-CG 4.01Å; P583-K585 VanDerWaalsContact C-N 3.31Å; P583-V586 PolarHBondContact O-N 2.77Å; P583-Q656 HydrophobicContact CB-CB 4.18Å; P583-Q656 HydrophobicContact CG-CB 3.46Å; P583-Q656 VanDerWaalsContact CG-CB 3.46Å; P583-Q656 HydrophobicContact CG-CG 4.12Å |
| 584 | A | 81.7 | Confident | 81 | Confident | 57 Ų | 57 | 42 Ų | 42 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -81.4 | -10.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D582 | D582-A584 PolarHBondContact O-N 3.47Å; D582-A584 WeakPolarHBondContact OD1-CA 3.41Å; D582-A584 VanDerWaalsContact OD1-CB 3.28Å; D582-A584 WeakPolarHBondContact OD1-CB 3.44Å; D582-A584 PolarHBondContact OD1-N 2.8Å |
| 585 | K | 84 | Confident | 80.3 | Confident | 83 Ų | 83 | 42 Ų | 42 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -94.1 | -0.2 | 170.2 | -74.1 | 176.2 | -168.3 | 168.6 | 0 | 114 | V549 D582 P583 Q608 A609 | V549-K585 HydrophobicContact CG2-CD 4.23Å; D582-K585 HydrophobicContact CB-CB 4.33Å; D582-K585 HydrophobicContact CB-CD 4.09Å; D582-K585 HydrophobicContact CB-CG 4.3Å; D582-K585 PolarHBondContact O-N 2.87Å; D582-K585 VanDerWaalsContact O-N 3.11Å; D582-K585 WeakPolarHBondContact OD2-CD 3.47Å; D582-K585 WeakPolarHBondContact OD2-CE 3.28Å; D582-K585 WeakPolarHBondContact OD2-CG 3.48Å; D582-K585 IonicContact OD2-NZ 2.65Å; P583-K585 VanDerWaalsContact C-N 3.31Å; K585-Q608 HydrophobicContact CB-CB 4.1Å; K585-Q608 HydrophobicContact CD-CB 4.41Å; K585-Q608 WeakPolarHBondContact CD-O 3.33Å; K585-A609 HydrophobicContact CB-CB 4.25Å |
| 586 | V | 83.7 | Confident | 79.9 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | trans | -78 | 124.8 | 165.4 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | P583 I604 D605 A606 A609 L653 V658 | P583-V586 PolarHBondContact O-N 2.77Å; V586-I604 HydrophobicContact CG1-CG2 3.5Å; V586-I604 VanDerWaalsContact CG1-CG2 3.5Å; V586-D605 WeakPolarHBondContact CA-O 3.35Å; V586-A606 HydrophobicContact CB-CB 4.42Å; V586-A606 HydrophobicContact CG1-CB 4.07Å; V586-A606 HydrophobicContact CG2-CB 3.8Å; V586-A609 HydrophobicContact CG2-CB 3.43Å; V586-A609 VanDerWaalsContact CG2-CB 3.43Å; V586-L653 HydrophobicContact CG2-CB 4.35Å; V586-L653 HydrophobicContact CG2-CD2 3.82Å; V586-V658 HydrophobicContact CB-CB 4.4Å; V586-V658 HydrophobicContact CB-CG1 3.72Å; V586-V658 HydrophobicContact CB-CG2 3.79Å; V586-V658 HydrophobicContact CG1-CB 4.48Å; V586-V658 HydrophobicContact CG1-CG1 3.77Å; V586-V658 HydrophobicContact CG1-CG2 3.85Å; V586-V658 HydrophobicContact CG2-CG2 3.97Å | ||
| 587 | V | 86 | Confident | 79.2 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | I604 D605 | V587-I604 CarbonylContact O-C 3.45Å; V587-I604 WeakPolarHBondContact O-CA 3.39Å; V587-D605 PolarHBondContact N-O 2.97Å; V587-D605 PolarHBondContact O-N 2.84Å |
| 588 | I | 87.3 | Confident | 78.7 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.1 | 171.8 | -54.4 | 178.9 | 0 | 0 | 0 | 107.3 | F602 I604 V651 V658 C661 | I588-F602 HydrophobicContact CG2-CD2 3.98Å; I588-F602 HydrophobicContact CG2-CE2 4.24Å; I588-I604 HydrophobicContact CG1-CG1 4.33Å; I588-I604 HydrophobicContact CG1-CG2 4.44Å; I588-I604 HydrophobicContact CG2-CG1 4.39Å; I588-V651 HydrophobicContact CD1-CB 4.16Å; I588-V651 HydrophobicContact CD1-CG2 3.97Å; I588-V658 HydrophobicContact CD1-CG1 3.8Å; I588-V658 HydrophobicContact CG1-CG1 4Å; I588-C661 WeakPolarHBondContact CD1-SG 3.18Å |
| 589 | E | 82.6 | Confident | 78.4 | Confident | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | trans | -69.3 | 148.5 | 174.4 | -73 | -178.5 | 179.6 | 0 | 0 | 110.8 | V591 T603 R634 | E589-V591 PolarHBondContact O-N 3.47Å; E589-T603 VanDerWaalsContact CD-CB 3.41Å; E589-T603 PolarHBondContact N-O 2.85Å; E589-T603 WeakPolarHBondContact OE2-CB 3.04Å; E589-T603 PolarHBondContact OE2-OG1 3.06Å; E589-R634 IonicContact OE1-CZ 3.27Å; E589-R634 IonicContact OE1-NE 3.15Å; E589-R634 IonicContact OE1-NH2 3.75Å; E589-R634 PolarHBondContact OE1-NH2 3.05Å | ||
| 590 | P | 74.9 | Confident | 78.5 | Confident | 126 Ų | 126 | 47.2 Ų | 47.2 | 82% | 0.818 | 30% | 0.3 | S | S | * | . | trans | -57.3 | 116 | -178 | -24.5 | 34.4 | 0 | 0 | 0 | 111.9 | P592 | P590-P592 WeakPolarHBondContact O-CD 3.35Š| ||
| 591 | V | 80.7 | Confident | 78.8 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 120.1 | -178.2 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | E589 V600 F602 I649 L663 V665 | E589-V591 PolarHBondContact O-N 3.47Å; V591-V600 HydrophobicContact CG1-CG1 3.88Å; V591-F602 HydrophobicContact CB-CB 4.19Å; V591-F602 HydrophobicContact CB-CG 4.35Å; V591-F602 HydrophobicContact CG1-CB 4.07Å; V591-F602 HydrophobicContact CG1-CD1 3.83Å; V591-F602 HydrophobicContact CG1-CG 4.09Å; V591-F602 HydrophobicContact CG2-CB 3.75Å; V591-F602 HydrophobicContact CG2-CD1 4.01Å; V591-F602 HydrophobicContact CG2-CD2 3.78Å; V591-F602 HydrophobicContact CG2-CE2 4.38Å; V591-F602 HydrophobicContact CG2-CG 3.58Å; V591-I649 HydrophobicContact CG1-CD1 4.15Å; V591-I649 HydrophobicContact CG2-CD1 4.21Å; V591-L663 HydrophobicContact CB-CD2 4.19Å; V591-L663 HydrophobicContact CG2-CD2 3.44Å; V591-L663 VanDerWaalsContact CG2-CD2 3.44Å; V591-V665 HydrophobicContact CB-CG2 3.84Å; V591-V665 HydrophobicContact CG1-CG1 4.13Å; V591-V665 HydrophobicContact CG1-CG2 3.86Å; V591-V665 HydrophobicContact CG2-CG2 4.33Å |
| 592 | P | 66.9 | Low | 79 | Confident | 74 Ų | 74 | 51 Ų | 51 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.2 | 174.9 | 28.7 | -33.4 | 0 | 0 | 0 | 110.3 | P590 Q601 | P590-P592 WeakPolarHBondContact O-CD 3.35Å; P592-Q601 WeakPolarHBondContact CD-O 3.44Å |
| 593 | G | 63.6 | Low | 79 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 594 | G | 67.4 | Low | 79.5 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 175.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D666 I667 F668 | G594-D666 PolarHBondContact N-O 2.85Å; G594-I667 WeakPolarHBondContact O-CA 3.35Å; G594-F668 WeakPolarHBondContact O-CD2 3.35Å; G594-F668 PolarHBondContact O-N 2.86Å |
| 595 | A | 68.8 | Low | 79.8 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 151.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G597 K598 F668 | A595-G597 PolarHBondContact O-N 3.13Å; A595-K598 HydrophobicContact CB-CD 4.33Å; A595-K598 PolarHBondContact O-N 3.08Å; A595-F668 WeakPolarHBondContact CA-O 3.39Å |
| 596 | V | 76.6 | Confident | 79.8 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 22% | 0.218 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 137.3 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | K598 I667 F668 | V596-K598 PolarHBondContact O-N 2.76Å; V596-K598 VanDerWaalsContact O-N 3.17Å; V596-I667 HydrophobicContact CG2-CG2 4.21Å; V596-F668 PolarHBondContact N-O 2.97Å; V596-F668 VanDerWaalsContact N-O 3.14Å |
| 597 | G | 72.7 | Confident | 79.4 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -2.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | A595 P641 | A595-G597 PolarHBondContact O-N 3.13Å; G597-P641 PolarHBondContact N-O 3.07Å |
| 598 | K | 72.4 | Confident | 79.1 | Confident | 109 Ų | 109 | 48 Ų | 48 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -105.3 | 138.1 | 177.1 | -64.5 | -174.1 | -172.7 | 159.4 | 0 | 111 | A595 V596 V600 P641 D673 | A595-K598 HydrophobicContact CB-CD 4.33Å; A595-K598 PolarHBondContact O-N 3.08Å; V596-K598 PolarHBondContact O-N 2.76Å; V596-K598 VanDerWaalsContact O-N 3.17Å; K598-V600 PolarHBondContact O-N 2.83Å; K598-P641 WeakPolarHBondContact O-CD 3.38Å; K598-D673 IonicContact NZ-OD2 3.68Å |
| 599 | P | 79.7 | Confident | 78.6 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | trans | -64.3 | 126.2 | 177.7 | 26.2 | -33.4 | 0 | 0 | 0 | 111.2 | T638 F639 I640 | P599-T638 HydrophobicContact CB-CG2 3.86Å; P599-F639 CarbonylContact C-O 3.54Å; P599-F639 WeakPolarHBondContact CA-O 3.32Å; P599-I640 HydrophobicContact CB-CG1 4.19Å | ||
| 600 | V | 83.6 | Confident | 78.1 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.8 | 167.9 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | V591 K598 T638 F639 P641 I667 | V591-V600 HydrophobicContact CG1-CG1 3.88Å; K598-V600 PolarHBondContact O-N 2.83Å; V600-T638 WeakPolarHBondContact O-CA 3.28Å; V600-F639 HydrophobicContact CB-CD1 3.94Å; V600-F639 HydrophobicContact CB-CE1 3.56Å; V600-F639 HydrophobicContact CB-CE2 4.3Å; V600-F639 HydrophobicContact CB-CG 4.49Å; V600-F639 HydrophobicContact CB-CZ 3.77Å; V600-F639 HydrophobicContact CG1-CD1 4.24Å; V600-F639 HydrophobicContact CG1-CE1 3.49Å; V600-F639 VanDerWaalsContact CG1-CE1 3.49Å; V600-F639 HydrophobicContact CG1-CZ 3.82Å; V600-F639 HydrophobicContact CG2-CE1 4.42Å; V600-F639 HydrophobicContact CG2-CE2 4.42Å; V600-F639 HydrophobicContact CG2-CZ 4.14Å; V600-F639 PolarHBondContact N-O 3.31Å; V600-F639 PolarHBondContact O-N 2.88Å; V600-P641 HydrophobicContact CG2-CG 3.76Å; V600-I667 HydrophobicContact CG2-CD1 3.92Å |
| 601 | Q | 87.5 | Confident | 77.9 | Confident | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.9 | -175.9 | -60.1 | -167.7 | -61.9 | 0 | 0 | 111.4 | P592 L636 V637 T638 | P592-Q601 WeakPolarHBondContact CD-O 3.44Å; Q601-L636 HydrophobicContact CB-CD1 4.31Å; Q601-V637 VanDerWaalsContact CA-O 3.29Å; Q601-V637 WeakPolarHBondContact CA-O 3.43Å; Q601-T638 HydrophobicContact CG-CG2 3.92Å; Q601-T638 PolarHBondContact NE2-OG1 3.33Å |
| 602 | F | 90.3 | Very high | 77.2 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 152.7 | 175.2 | 65.1 | -81.6 | 0 | 0 | 0 | 111.4 | I588 V591 I604 I618 V637 F639 I649 | I588-F602 HydrophobicContact CG2-CD2 3.98Å; I588-F602 HydrophobicContact CG2-CE2 4.24Å; V591-F602 HydrophobicContact CB-CB 4.19Å; V591-F602 HydrophobicContact CB-CG 4.35Å; V591-F602 HydrophobicContact CG1-CB 4.07Å; V591-F602 HydrophobicContact CG1-CD1 3.83Å; V591-F602 HydrophobicContact CG1-CG 4.09Å; V591-F602 HydrophobicContact CG2-CB 3.75Å; V591-F602 HydrophobicContact CG2-CD1 4.01Å; V591-F602 HydrophobicContact CG2-CD2 3.78Å; V591-F602 HydrophobicContact CG2-CE2 4.38Å; V591-F602 HydrophobicContact CG2-CG 3.58Å; F602-I604 HydrophobicContact CD2-CG1 4.26Å; F602-I604 HydrophobicContact CE2-CD1 4Å; F602-I604 HydrophobicContact CE2-CG1 3.97Å; F602-I618 HydrophobicContact CE1-CD1 4.48Å; F602-V637 HydrophobicContact CD1-CB 4.12Å; F602-V637 HydrophobicContact CD2-CB 4.38Å; F602-V637 HydrophobicContact CE1-CB 3.64Å; F602-V637 HydrophobicContact CE1-CG1 3.62Å; F602-V637 HydrophobicContact CE2-CB 3.94Å; F602-V637 HydrophobicContact CE2-CG1 4.42Å; F602-V637 HydrophobicContact CE2-CG2 3.96Å; F602-V637 HydrophobicContact CG-CB 4.46Å; F602-V637 HydrophobicContact CZ-CB 3.53Å; F602-V637 HydrophobicContact CZ-CG1 3.57Å; F602-V637 HydrophobicContact CZ-CG2 3.93Å; F602-V637 PolarHBondContact N-O 3.21Å; F602-V637 PolarHBondContact O-N 2.85Å; F602-F639 HydrophobicContact CE1-CD1 4.29Å; F602-F639 HydrophobicContact CE1-CE1 4.19Å; F602-I649 HydrophobicContact CD1-CD1 4.43Å; F602-I649 HydrophobicContact CE1-CD1 3.78Å; F602-I649 HydrophobicContact CE1-CG2 4.38Å; F602-I649 HydrophobicContact CE2-CG2 4.11Å; F602-I649 HydrophobicContact CZ-CD1 3.96Å; F602-I649 HydrophobicContact CZ-CG2 3.55Å |
| 603 | T | 87.5 | Confident | 77.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.5 | -176.7 | -32.8 | 0 | 0 | 0 | 0 | 111.8 | E589 Q630 R634 C635 | E589-T603 VanDerWaalsContact CD-CB 3.41Å; E589-T603 PolarHBondContact N-O 2.85Å; E589-T603 WeakPolarHBondContact OE2-CB 3.04Å; E589-T603 PolarHBondContact OE2-OG1 3.06Å; T603-Q630 VanDerWaalsContact CG2-OE1 3.28Å; T603-R634 HydrophobicContact CG2-CG 3.66Å; T603-C635 CarbonylContact C-O 3.52Å; T603-C635 WeakPolarHBondContact CA-O 3.29Å; T603-C635 WeakPolarHBondContact CG2-O 3.49Å |
| 604 | I | 91.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.1 | 169.7 | -57 | 170.4 | 0 | 0 | 0 | 107.7 | V586 V587 I588 F602 L614 I616 R634 C635 V637 V651 | V586-I604 HydrophobicContact CG1-CG2 3.5Å; V586-I604 VanDerWaalsContact CG1-CG2 3.5Å; V587-I604 CarbonylContact O-C 3.45Å; V587-I604 WeakPolarHBondContact O-CA 3.39Å; I588-I604 HydrophobicContact CG1-CG1 4.33Å; I588-I604 HydrophobicContact CG1-CG2 4.44Å; I588-I604 HydrophobicContact CG2-CG1 4.39Å; F602-I604 HydrophobicContact CD2-CG1 4.26Å; F602-I604 HydrophobicContact CE2-CD1 4Å; F602-I604 HydrophobicContact CE2-CG1 3.97Å; I604-L614 HydrophobicContact CG2-CD1 4.35Å; I604-L614 HydrophobicContact CG2-CD2 4.16Å; I604-I616 HydrophobicContact CD1-CD1 3.75Å; I604-I616 HydrophobicContact CD1-CG1 3.75Å; I604-R634 CarbonylContact O-C 3.44Å; I604-R634 VanDerWaalsContact O-CA 3.31Å; I604-R634 WeakPolarHBondContact O-CA 3.29Å; I604-C635 PolarHBondContact N-O 3.31Å; I604-C635 PolarHBondContact O-N 3.19Å; I604-V637 HydrophobicContact CD1-CG2 3.62Å; I604-V637 HydrophobicContact CG1-CG2 4.15Å; I604-V651 HydrophobicContact CD1-CG1 3.98Å; I604-V651 HydrophobicContact CD1-CG2 3.82Å |
| 605 | D | 87.3 | Confident | 78.8 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 103.1 | 176.8 | -163.4 | -29.7 | 0 | 0 | 0 | 110.7 | V586 V587 S607 R634 | V586-D605 WeakPolarHBondContact CA-O 3.35Å; V587-D605 PolarHBondContact N-O 2.97Å; V587-D605 PolarHBondContact O-N 2.84Å; D605-S607 WeakPolarHBondContact OD1-CB 3.45Å; D605-S607 PolarHBondContact OD1-N 3.06Å; D605-S607 PolarHBondContact OD1-OG 3.27Å; D605-R634 HydrophobicContact CB-CB 4.46Å; D605-R634 HydrophobicContact CB-CG 3.92Å; D605-R634 WeakPolarHBondContact OD2-CD 3.39Å; D605-R634 IonicContact OD2-CZ 2.78Å; D605-R634 IonicContact OD2-NE 2.66Å; D605-R634 IonicContact OD2-NH1 2.78Å; D605-R634 PolarHBondContact OD2-NH1 2.89Å |
| 606 | A | 84.6 | Confident | 79.6 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | trans | -102.1 | 14.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V586 Q608 A609 L614 G633 | V586-A606 HydrophobicContact CB-CB 4.42Å; V586-A606 HydrophobicContact CG1-CB 4.07Å; V586-A606 HydrophobicContact CG2-CB 3.8Å; A606-Q608 PolarHBondContact O-N 2.91Å; A606-Q608 VanDerWaalsContact O-N 3.12Å; A606-A609 HydrophobicContact CB-CB 4.07Å; A606-A609 WeakPolarHBondContact O-CB 3.36Å; A606-A609 PolarHBondContact O-N 3.46Å; A606-L614 HydrophobicContact CB-CD1 3.85Å; A606-G633 CarbonylContact C-O 3.55Å; A606-G633 WeakPolarHBondContact CA-O 3.34Å; A606-G633 WeakPolarHBondContact CB-O 3.35Å; A606-G633 PolarHBondContact N-O 3.35Å | ||
| 607 | S | 75.6 | Confident | 79.7 | Confident | 44 Ų | 44 | 52 Ų | 52 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.7 | -176.9 | 61.5 | 0 | 0 | 0 | 0 | 114 | D605 G633 | D605-S607 WeakPolarHBondContact OD1-CB 3.45Å; D605-S607 PolarHBondContact OD1-N 3.06Å; D605-S607 PolarHBondContact OD1-OG 3.27Å; S607-G633 PolarHBondContact N-O 3Å |
| 608 | Q | 79.6 | Confident | 80.3 | Confident | 123 Ų | 123 | 49.5 Ų | 49.5 | 58% | 0.575 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.2 | 176.8 | -62 | -60.8 | -50.3 | 0 | 0 | 113.9 | K585 A606 | K585-Q608 HydrophobicContact CB-CB 4.1Å; K585-Q608 HydrophobicContact CD-CB 4.41Å; K585-Q608 WeakPolarHBondContact CD-O 3.33Å; A606-Q608 PolarHBondContact O-N 2.91Å; A606-Q608 VanDerWaalsContact O-N 3.12Å |
| 609 | A | 77.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -88.4 | 1.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y581 D582 K585 V586 A606 L653 | Y581-A609 CarbonylContact C-O 3.51Å; Y581-A609 WeakPolarHBondContact CA-O 3.36Å; Y581-A609 WeakPolarHBondContact CB-O 3.43Å; D582-A609 PolarHBondContact N-O 2.73Å; D582-A609 VanDerWaalsContact O-CB 3.31Å; D582-A609 WeakPolarHBondContact O-CB 3.31Å; K585-A609 HydrophobicContact CB-CB 4.25Å; V586-A609 HydrophobicContact CG2-CB 3.43Å; V586-A609 VanDerWaalsContact CG2-CB 3.43Å; A606-A609 HydrophobicContact CB-CB 4.07Å; A606-A609 WeakPolarHBondContact O-CB 3.36Å; A606-A609 PolarHBondContact O-N 3.46Å; A609-L653 HydrophobicContact CB-CD2 3.69Å |
| 610 | G | 71.6 | Confident | 80.3 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 25% | 0.247 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | 83.2 | -155.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V549 | V549-G610 VanDerWaalsContact CG1-CA 3.43Å |
| 611 | K | 69.3 | Low | 79.2 | Confident | 139 Ų | 139 | 50 Ų | 50 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -95.6 | 121.2 | -175.9 | -161.6 | -177.2 | -171.5 | 177 | 0 | 110.3 | M495 N579 | M495-K611 WeakPolarHBondContact CE-O 3.42Å; N579-K611 HydrophobicContact CB-CB 4.25Å; N579-K611 HydrophobicContact CB-CD 4.4Å; N579-K611 WeakPolarHBondContact OD1-CD 3.17Å |
| 612 | G | 66.5 | Low | 78.2 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | trans | -169.4 | 167.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N654 | G612-N654 WeakPolarHBondContact CA-ND2 3.35Å; G612-N654 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 613 | Q | 75.5 | Confident | 77.2 | Confident | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | trans | -88.8 | 121.8 | 171.8 | 176.7 | 169.8 | -46.9 | 0 | 0 | 109.1 | E615 L653 N654 | Q613-E615 HydrophobicContact CG-CG 4.26Å; Q613-E615 PolarHBondContact NE2-OE1 2.89Å; Q613-L653 WeakPolarHBondContact O-CA 3.32Å; Q613-N654 PolarHBondContact N-OD1 3.24Å; Q613-N654 PolarHBondContact O-N 3.41Å | ||
| 614 | L | 78.8 | Confident | 76.2 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.4 | 169.6 | -96.4 | 160.5 | 0 | 0 | 0 | 109.4 | I604 A606 V651 T652 L653 | I604-L614 HydrophobicContact CG2-CD1 4.35Å; I604-L614 HydrophobicContact CG2-CD2 4.16Å; A606-L614 HydrophobicContact CB-CD1 3.85Å; L614-V651 HydrophobicContact CD2-CG1 3.62Å; L614-T652 WeakPolarHBondContact CA-O 3.42Å; L614-L653 HydrophobicContact CG-CD1 4.27Å |
| 615 | E | 78.1 | Confident | 75.4 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.4 | 170.7 | -61.6 | -175.9 | 161.2 | 0 | 0 | 108.7 | Q613 V651 T652 | Q613-E615 HydrophobicContact CG-CG 4.26Å; Q613-E615 PolarHBondContact NE2-OE1 2.89Å; E615-V651 CarbonylContact O-C 3.55Å; E615-V651 VanDerWaalsContact O-CA 3.32Å; E615-V651 WeakPolarHBondContact O-CA 3.43Å; E615-T652 PolarHBondContact N-O 2.8Å; E615-T652 PolarHBondContact O-N 2.76Å |
| 616 | I | 85.6 | Confident | 74.8 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 116.9 | -171.1 | -60.2 | 149.4 | 0 | 0 | 0 | 107.2 | I604 N625 V627 V637 D650 V651 | I604-I616 HydrophobicContact CD1-CD1 3.75Å; I604-I616 HydrophobicContact CD1-CG1 3.75Å; I616-N625 PolarHBondContact O-ND2 3.17Å; I616-V627 HydrophobicContact CD1-CG1 3.97Å; I616-V627 HydrophobicContact CD1-CG2 3.86Å; I616-V637 HydrophobicContact CD1-CG2 3.86Å; I616-V637 HydrophobicContact CG2-CG1 3.96Å; I616-V637 HydrophobicContact CG2-CG2 4.13Å; I616-D650 WeakPolarHBondContact CA-O 3.49Å; I616-V651 HydrophobicContact CG1-CG1 4.17Å; I616-V651 HydrophobicContact CG1-CG2 4.32Å; I616-V651 HydrophobicContact CG2-CG2 4.35Å |
| 617 | S | 78.5 | Confident | 74.2 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.9 | 178.8 | 85.5 | 0 | 0 | 0 | 0 | 111 | D650 | S617-D650 PolarHBondContact N-O 2.79Å; S617-D650 PolarHBondContact O-N 3.39Å |
| 618 | I | 85 | Confident | 74.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.2 | 177.4 | -57.2 | -178.7 | 0 | 0 | 0 | 108.5 | F602 E620 G621 K622 V623 N625 V637 F639 Y647 V648 I649 | F602-I618 HydrophobicContact CE1-CD1 4.48Å; I618-E620 VanDerWaalsContact C-N 3.29Å; I618-E620 PolarHBondContact O-N 3.14Å; I618-G621 CarbonylContact O-C 3.47Å; I618-G621 PolarHBondContact O-N 3.29Å; I618-G621 VanDerWaalsContact O-N 3.08Å; I618-K622 PolarHBondContact O-N 3.23Å; I618-V623 HydrophobicContact CB-CB 4.12Å; I618-V623 HydrophobicContact CB-CG1 4.49Å; I618-V623 HydrophobicContact CG2-CB 3.87Å; I618-V623 HydrophobicContact CG2-CG1 4.08Å; I618-V623 HydrophobicContact CG2-CG2 4.37Å; I618-V623 PolarHBondContact O-N 3Å; I618-V623 VanDerWaalsContact O-N 3.14Å; I618-N625 HydrophobicContact CD1-CB 3.98Å; I618-N625 HydrophobicContact CG1-CB 4.5Å; I618-V637 HydrophobicContact CD1-CG1 4.33Å; I618-F639 HydrophobicContact CD1-CB 3.7Å; I618-F639 HydrophobicContact CD1-CD1 3.3Å; I618-F639 HydrophobicContact CD1-CD2 4.28Å; I618-F639 HydrophobicContact CD1-CE1 3.87Å; I618-F639 HydrophobicContact CD1-CG 3.52Å; I618-F639 HydrophobicContact CG2-CD2 4.22Å; I618-F639 HydrophobicContact CG2-CE2 4.23Å; I618-Y647 HydrophobicContact CG2-CD1 4Å; I618-V648 WeakPolarHBondContact CA-O 3.4Å; I618-I649 HydrophobicContact CD1-CG1 4.46Å; I618-I649 HydrophobicContact CG1-CG1 4.22Å; I618-I649 HydrophobicContact CG1-CG2 4.43Å; I618-I649 HydrophobicContact CG2-CG1 4.43Å |
| 619 | N | 80.7 | Confident | 73.4 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 52.4 | -164.1 | -64.9 | -25.5 | 0 | 0 | 0 | 111.3 | G621 K622 V623 Y647 V648 | N619-G621 PolarHBondContact O-N 2.98Å; N619-K622 HydrophobicContact CB-CB 4.28Å; N619-K622 WeakPolarHBondContact O-CB 3.42Å; N619-K622 VanDerWaalsContact O-CD 3.26Å; N619-K622 WeakPolarHBondContact O-CD 3.24Å; N619-K622 WeakPolarHBondContact O-CG 3.3Å; N619-K622 PolarHBondContact O-N 3.3Å; N619-K622 VanDerWaalsContact O-N 3.08Å; N619-V623 HydrophobicContact CB-CG2 4.05Å; N619-Y647 VanDerWaalsContact ND2-CD1 3.35Å; N619-Y647 WeakPolarHBondContact ND2-CD1 3.31Å; N619-Y647 WeakPolarHBondContact OD1-CA 3.33Å; N619-V648 PolarHBondContact N-O 3.41Å; N619-V648 PolarHBondContact OD1-N 2.88Å |
| 620 | E | 71.7 | Confident | 73.1 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 34.6 | -178.1 | -50.3 | 168.4 | 133.2 | 0 | 0 | 113 | I618 K622 | I618-E620 VanDerWaalsContact C-N 3.29Å; I618-E620 PolarHBondContact O-N 3.14Å; E620-K622 VanDerWaalsContact C-N 3.31Å; E620-K622 PolarHBondContact O-N 2.68Å; E620-K622 IonicContact OE2-NZ 2.72Å; E620-K622 PolarHBondContact OE2-NZ 3.2Å |
| 621 | G | 60.5 | Low | 72.5 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -0.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I618 N619 V623 | I618-G621 CarbonylContact O-C 3.47Å; I618-G621 PolarHBondContact O-N 3.29Å; I618-G621 VanDerWaalsContact O-N 3.08Å; N619-G621 PolarHBondContact O-N 2.98Å; G621-V623 PolarHBondContact O-N 3.21Å |
| 622 | K | 66 | Low | 72.2 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16 | 177.3 | -63.1 | 164.1 | -172.9 | 154.6 | 0 | 113.1 | I618 N619 E620 | I618-K622 PolarHBondContact O-N 3.23Å; N619-K622 HydrophobicContact CB-CB 4.28Å; N619-K622 WeakPolarHBondContact O-CB 3.42Å; N619-K622 VanDerWaalsContact O-CD 3.26Å; N619-K622 WeakPolarHBondContact O-CD 3.24Å; N619-K622 WeakPolarHBondContact O-CG 3.3Å; N619-K622 PolarHBondContact O-N 3.3Å; N619-K622 VanDerWaalsContact O-N 3.08Å; E620-K622 VanDerWaalsContact C-N 3.31Å; E620-K622 PolarHBondContact O-N 2.68Å; E620-K622 IonicContact OE2-NZ 2.72Å; E620-K622 PolarHBondContact OE2-NZ 3.2Å |
| 623 | V | 68.9 | Low | 72.1 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -114.5 | 115.9 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | I618 N619 G621 N625 F639 Y647 | I618-V623 HydrophobicContact CB-CB 4.12Å; I618-V623 HydrophobicContact CB-CG1 4.49Å; I618-V623 HydrophobicContact CG2-CB 3.87Å; I618-V623 HydrophobicContact CG2-CG1 4.08Å; I618-V623 HydrophobicContact CG2-CG2 4.37Å; I618-V623 PolarHBondContact O-N 3Å; I618-V623 VanDerWaalsContact O-N 3.14Å; N619-V623 HydrophobicContact CB-CG2 4.05Å; G621-V623 PolarHBondContact O-N 3.21Å; V623-N625 PolarHBondContact O-N 3.02Å; V623-F639 HydrophobicContact CG1-CB 4.32Å; V623-F639 HydrophobicContact CG1-CD2 3.87Å; V623-Y647 HydrophobicContact CB-CE1 4.45Å; V623-Y647 HydrophobicContact CG1-CE1 4.11Å; V623-Y647 HydrophobicContact CG2-CD1 4.05Å; V623-Y647 HydrophobicContact CG2-CE1 3.6Å |
| 624 | P | 66.8 | Low | 72.3 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | trans | -60.6 | 131.3 | 179 | -24.9 | 34.7 | 0 | 0 | 0 | 112.6 | ||||
| 625 | N | 76 | Confident | 72.5 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152.6 | 177.1 | 59.5 | -25.6 | 0 | 0 | 0 | 111.7 | I616 I618 V623 V637 T638 F639 | I616-N625 PolarHBondContact O-ND2 3.17Å; I618-N625 HydrophobicContact CD1-CB 3.98Å; I618-N625 HydrophobicContact CG1-CB 4.5Å; V623-N625 PolarHBondContact O-N 3.02Å; N625-V637 HydrophobicContact CB-CG1 4.45Å; N625-T638 CarbonylContact C-O 3.5Å; N625-T638 WeakPolarHBondContact CA-O 3.1Å; N625-F639 HydrophobicContact CB-CB 4.35Å |
| 626 | S | 73.3 | Confident | 72.9 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.6 | 171.3 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | V637 T638 | S626-V637 WeakPolarHBondContact O-CA 3.37Å; S626-T638 PolarHBondContact N-O 2.79Å; S626-T638 PolarHBondContact O-N 2.86Å |
| 627 | V | 73.4 | Confident | 73 | Confident | 73 Ų | 73 | 57 Ų | 57 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.2 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | I616 C635 L636 | I616-V627 HydrophobicContact CD1-CG1 3.97Å; I616-V627 HydrophobicContact CD1-CG2 3.86Å; V627-C635 HydrophobicContact CG1-CB 3.94Å; V627-L636 WeakPolarHBondContact CA-O 3.38Å |
| 628 | Q | 71.7 | Confident | 73.2 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.6 | 177.3 | -75.5 | 171.6 | -17.1 | 0 | 0 | 110.1 | Q630 C635 L636 E1113 | Q628-Q630 PolarHBondContact O-N 2.76Å; Q628-C635 CarbonylContact O-C 3.59Å; Q628-C635 WeakPolarHBondContact O-CA 3.29Å; Q628-C635 WeakPolarHBondContact O-CB 3.48Å; Q628-L636 HydrophobicContact CB-CB 4.37Å; Q628-L636 PolarHBondContact N-O 2.91Å; Q628-L636 PolarHBondContact O-N 3.16Å; Q628-E1113 HydrophobicContact CG-CG 4.21Å |
| 629 | L | 66.7 | Low | 73.3 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 81.8 | -177 | -169.9 | 76.4 | 0 | 0 | 0 | 111.2 | S631 C635 | L629-S631 VanDerWaalsContact C-N 3.28Å; L629-S631 PolarHBondContact O-N 3.21Å; L629-C635 HydrophobicContact CD1-CB 4.33Å |
| 630 | Q | 69.8 | Low | 73.4 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -36.8 | -179.7 | -70 | -174.6 | -27.9 | 0 | 0 | 114.1 | T603 Q628 R634 L636 | T603-Q630 VanDerWaalsContact CG2-OE1 3.28Å; Q628-Q630 PolarHBondContact O-N 2.76Å; Q630-R634 PolarHBondContact N-O 2.92Å; Q630-R634 VanDerWaalsContact N-O 3.08Å; Q630-L636 HydrophobicContact CG-CB 4Å |
| 631 | S | 60.7 | Low | 73.6 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | -178.1 | 174.5 | 82.3 | 0 | 0 | 0 | 0 | 111.9 | L629 G633 R634 | L629-S631 VanDerWaalsContact C-N 3.28Å; L629-S631 PolarHBondContact O-N 3.21Å; S631-G633 PolarHBondContact O-N 3.24Å; S631-R634 PolarHBondContact N-O 3.3Å; S631-R634 PolarHBondContact O-N 2.84Å; S631-R634 VanDerWaalsContact O-O 3.11Å; S631-R634 WeakPolarHBondContact OG-CB 3.43Å |
| 632 | A | 63.1 | Low | 74.4 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 55% | 0.554 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 64.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K552 | K552-A632 PolarHBondContact NZ-O 2.61Š|
| 633 | G | 63.3 | Low | 74.9 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 131.1 | -6.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A606 S607 S631 | A606-G633 CarbonylContact C-O 3.55Å; A606-G633 WeakPolarHBondContact CA-O 3.34Å; A606-G633 WeakPolarHBondContact CB-O 3.35Å; A606-G633 PolarHBondContact N-O 3.35Å; S607-G633 PolarHBondContact N-O 3Å; S631-G633 PolarHBondContact O-N 3.24Å |
| 634 | R | 80.6 | Confident | 75.1 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.2 | -179.1 | -166.4 | 176.9 | -169.8 | 142 | -14.4 | 110.5 | E589 T603 I604 D605 Q630 S631 | E589-R634 IonicContact OE1-CZ 3.27Å; E589-R634 IonicContact OE1-NE 3.15Å; E589-R634 IonicContact OE1-NH2 3.75Å; E589-R634 PolarHBondContact OE1-NH2 3.05Å; T603-R634 HydrophobicContact CG2-CG 3.66Å; I604-R634 CarbonylContact O-C 3.44Å; I604-R634 VanDerWaalsContact O-CA 3.31Å; I604-R634 WeakPolarHBondContact O-CA 3.29Å; D605-R634 HydrophobicContact CB-CB 4.46Å; D605-R634 HydrophobicContact CB-CG 3.92Å; D605-R634 WeakPolarHBondContact OD2-CD 3.39Å; D605-R634 IonicContact OD2-CZ 2.78Å; D605-R634 IonicContact OD2-NE 2.66Å; D605-R634 IonicContact OD2-NH1 2.78Å; D605-R634 PolarHBondContact OD2-NH1 2.89Å; Q630-R634 PolarHBondContact N-O 2.92Å; Q630-R634 VanDerWaalsContact N-O 3.08Å; S631-R634 PolarHBondContact N-O 3.3Å; S631-R634 PolarHBondContact O-N 2.84Å; S631-R634 VanDerWaalsContact O-O 3.11Å; S631-R634 WeakPolarHBondContact OG-CB 3.43Å |
| 635 | C | 81.4 | Confident | 75.6 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.9 | -175.2 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | T603 I604 V627 Q628 L629 | T603-C635 CarbonylContact C-O 3.52Å; T603-C635 WeakPolarHBondContact CA-O 3.29Å; T603-C635 WeakPolarHBondContact CG2-O 3.49Å; I604-C635 PolarHBondContact N-O 3.31Å; I604-C635 PolarHBondContact O-N 3.19Å; V627-C635 HydrophobicContact CG1-CB 3.94Å; Q628-C635 CarbonylContact O-C 3.59Å; Q628-C635 WeakPolarHBondContact O-CA 3.29Å; Q628-C635 WeakPolarHBondContact O-CB 3.48Å; L629-C635 HydrophobicContact CD1-CB 4.33Å |
| 636 | L | 87.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 12% | 0.12 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.9 | 175.1 | -177.1 | 67.6 | 0 | 0 | 0 | 108.9 | Q601 V627 Q628 Q630 | Q601-L636 HydrophobicContact CB-CD1 4.31Å; V627-L636 WeakPolarHBondContact CA-O 3.38Å; Q628-L636 HydrophobicContact CB-CB 4.37Å; Q628-L636 PolarHBondContact N-O 2.91Å; Q628-L636 PolarHBondContact O-N 3.16Å; Q630-L636 HydrophobicContact CG-CB 4Å |
| 637 | V | 86.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.3 | 174.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | Q601 F602 I604 I616 I618 N625 S626 | Q601-V637 VanDerWaalsContact CA-O 3.29Å; Q601-V637 WeakPolarHBondContact CA-O 3.43Å; F602-V637 HydrophobicContact CD1-CB 4.12Å; F602-V637 HydrophobicContact CD2-CB 4.38Å; F602-V637 HydrophobicContact CE1-CB 3.64Å; F602-V637 HydrophobicContact CE1-CG1 3.62Å; F602-V637 HydrophobicContact CE2-CB 3.94Å; F602-V637 HydrophobicContact CE2-CG1 4.42Å; F602-V637 HydrophobicContact CE2-CG2 3.96Å; F602-V637 HydrophobicContact CG-CB 4.46Å; F602-V637 HydrophobicContact CZ-CB 3.53Å; F602-V637 HydrophobicContact CZ-CG1 3.57Å; F602-V637 HydrophobicContact CZ-CG2 3.93Å; F602-V637 PolarHBondContact N-O 3.21Å; F602-V637 PolarHBondContact O-N 2.85Å; I604-V637 HydrophobicContact CD1-CG2 3.62Å; I604-V637 HydrophobicContact CG1-CG2 4.15Å; I616-V637 HydrophobicContact CD1-CG2 3.86Å; I616-V637 HydrophobicContact CG2-CG1 3.96Å; I616-V637 HydrophobicContact CG2-CG2 4.13Å; I618-V637 HydrophobicContact CD1-CG1 4.33Å; N625-V637 HydrophobicContact CB-CG1 4.45Å; S626-V637 WeakPolarHBondContact O-CA 3.37Å |
| 638 | T | 84.1 | Confident | 76.5 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.1 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 110 | P599 V600 Q601 N625 S626 | P599-T638 HydrophobicContact CB-CG2 3.86Å; V600-T638 WeakPolarHBondContact O-CA 3.28Å; Q601-T638 HydrophobicContact CG-CG2 3.92Å; Q601-T638 PolarHBondContact NE2-OG1 3.33Å; N625-T638 CarbonylContact C-O 3.5Å; N625-T638 WeakPolarHBondContact CA-O 3.1Å; S626-T638 PolarHBondContact N-O 2.79Å; S626-T638 PolarHBondContact O-N 2.86Å |
| 639 | F | 86.7 | Confident | 77.1 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 156.2 | 169.1 | 72.3 | -82.3 | 0 | 0 | 0 | 111.2 | P599 V600 F602 I618 V623 N625 P641 Y647 I649 I667 | P599-F639 CarbonylContact C-O 3.54Å; P599-F639 WeakPolarHBondContact CA-O 3.32Å; V600-F639 HydrophobicContact CB-CD1 3.94Å; V600-F639 HydrophobicContact CB-CE1 3.56Å; V600-F639 HydrophobicContact CB-CE2 4.3Å; V600-F639 HydrophobicContact CB-CG 4.49Å; V600-F639 HydrophobicContact CB-CZ 3.77Å; V600-F639 HydrophobicContact CG1-CD1 4.24Å; V600-F639 HydrophobicContact CG1-CE1 3.49Å; V600-F639 VanDerWaalsContact CG1-CE1 3.49Å; V600-F639 HydrophobicContact CG1-CZ 3.82Å; V600-F639 HydrophobicContact CG2-CE1 4.42Å; V600-F639 HydrophobicContact CG2-CE2 4.42Å; V600-F639 HydrophobicContact CG2-CZ 4.14Å; V600-F639 PolarHBondContact N-O 3.31Å; V600-F639 PolarHBondContact O-N 2.88Å; F602-F639 HydrophobicContact CE1-CD1 4.29Å; F602-F639 HydrophobicContact CE1-CE1 4.19Å; I618-F639 HydrophobicContact CD1-CB 3.7Å; I618-F639 HydrophobicContact CD1-CD1 3.3Å; I618-F639 HydrophobicContact CD1-CD2 4.28Å; I618-F639 HydrophobicContact CD1-CE1 3.87Å; I618-F639 HydrophobicContact CD1-CG 3.52Å; I618-F639 HydrophobicContact CG2-CD2 4.22Å; I618-F639 HydrophobicContact CG2-CE2 4.23Å; V623-F639 HydrophobicContact CG1-CB 4.32Å; V623-F639 HydrophobicContact CG1-CD2 3.87Å; N625-F639 HydrophobicContact CB-CB 4.35Å; F639-P641 HydrophobicContact CD2-CG 4.21Å; F639-P641 HydrophobicContact CE2-CG 3.84Å; F639-Y647 HydrophobicContact CD2-CD1 4.3Å; F639-Y647 AromaticContact CE2-CD1 3.59Å; F639-Y647 HydrophobicContact CE2-CD1 3.59Å; F639-Y647 HydrophobicContact CE2-CE1 4.08Å; F639-Y647 HydrophobicContact CE2-CG 4.25Å; F639-Y647 HydrophobicContact CZ-CD1 4.41Å; F639-I649 HydrophobicContact CE1-CD1 4.09Å; F639-I649 HydrophobicContact CZ-CD1 4.46Å; F639-I667 HydrophobicContact CE2-CD1 4.46Å; F639-I667 HydrophobicContact CZ-CD1 4.35Å |
| 640 | I | 83 | Confident | 77.9 | Confident | 99 Ų | 99 | 46.9 Ų | 46.9 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | trans | -111.1 | 115.7 | 175.7 | -59.4 | 175.9 | 0 | 0 | 0 | 108.1 | P599 | P599-I640 HydrophobicContact CB-CG1 4.19Š| ||
| 641 | P | 75.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -69.4 | 130.9 | 174.6 | -13.1 | 27.5 | 0 | 0 | 0 | 111.1 | G597 K598 V600 F639 Y647 I667 | G597-P641 PolarHBondContact N-O 3.07Å; K598-P641 WeakPolarHBondContact O-CD 3.38Å; V600-P641 HydrophobicContact CG2-CG 3.76Å; F639-P641 HydrophobicContact CD2-CG 4.21Å; F639-P641 HydrophobicContact CE2-CG 3.84Å; P641-Y647 HydrophobicContact CB-CE1 4.01Å; P641-Y647 HydrophobicContact CB-CE2 4.21Å; P641-I667 HydrophobicContact CB-CB 4.31Å; P641-I667 HydrophobicContact CB-CD1 4.4Å; P641-I667 HydrophobicContact CB-CG1 4.05Å; P641-I667 HydrophobicContact CB-CG2 3.46Å; P641-I667 VanDerWaalsContact CB-CG2 3.46Å; P641-I667 HydrophobicContact CG-CD1 3.76Å; P641-I667 HydrophobicContact CG-CG1 3.97Å; P641-I667 HydrophobicContact CG-CG2 3.77Å | ||
| 642 | D | 78.5 | Confident | 79.6 | Confident | 100 Ų | 100 | 40.5 Ų | 40.5 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -91 | -14 | 178.6 | 65.5 | -34.6 | 0 | 0 | 0 | 113.9 | Y647 | D642-Y647 PolarHBondContact N-OH 2.87Å; D642-Y647 PolarHBondContact OD1-OH 3.42Å |
| 643 | K | 76.7 | Confident | 80.5 | Confident | 133 Ų | 133 | 37.5 Ų | 37.5 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -154.4 | 154.9 | -176.9 | 5.8 | 176.9 | 171.7 | 170.6 | 0 | 110.4 | Y647 | K643-Y647 PolarHBondContact N-OH 2.82Å; K643-Y647 VanDerWaalsContact O-CE2 3.27Å; K643-Y647 WeakPolarHBondContact O-CE2 3.5Å; K643-Y647 PolarHBondContact O-OH 3.04Å |
| 644 | G | 72.9 | Confident | 81.2 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.5 | 147 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I667 | G644-I667 CarbonylContact C-O 3.58Å; G644-I667 WeakPolarHBondContact CA-O 3.5Å |
| 645 | G | 76.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 36.4 Ų | 36.4 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | -170.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I667 | G645-I667 PolarHBondContact N-O 2.9Å; G645-I667 WeakPolarHBondContact O-CB 3.43Å; G645-I667 PolarHBondContact O-N 3.09Å |
| 646 | L | 76.2 | Confident | 80.5 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 44% | 0.44 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127 | -179.3 | -164.5 | 76.9 | 0 | 0 | 0 | 111.2 | K664 D666 | L646-K664 HydrophobicContact CD1-CB 4.12Å; L646-K664 HydrophobicContact CD2-CD 4.01Å; L646-K664 HydrophobicContact CD2-CG 4.19Å; L646-K664 HydrophobicContact CG-CB 4.48Å; L646-D666 WeakPolarHBondContact CD1-OD1 3.28Å |
| 647 | Y | 84.3 | Confident | 80 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.6 | 172.4 | -77.7 | -121.2 | 0 | 0 | 0 | 109.6 | I618 N619 V623 F639 P641 D642 K643 K664 V665 I667 | I618-Y647 HydrophobicContact CG2-CD1 4Å; N619-Y647 VanDerWaalsContact ND2-CD1 3.35Å; N619-Y647 WeakPolarHBondContact ND2-CD1 3.31Å; N619-Y647 WeakPolarHBondContact OD1-CA 3.33Å; V623-Y647 HydrophobicContact CB-CE1 4.45Å; V623-Y647 HydrophobicContact CG1-CE1 4.11Å; V623-Y647 HydrophobicContact CG2-CD1 4.05Å; V623-Y647 HydrophobicContact CG2-CE1 3.6Å; F639-Y647 HydrophobicContact CD2-CD1 4.3Å; F639-Y647 AromaticContact CE2-CD1 3.59Å; F639-Y647 HydrophobicContact CE2-CD1 3.59Å; F639-Y647 HydrophobicContact CE2-CE1 4.08Å; F639-Y647 HydrophobicContact CE2-CG 4.25Å; F639-Y647 HydrophobicContact CZ-CD1 4.41Å; P641-Y647 HydrophobicContact CB-CE1 4.01Å; P641-Y647 HydrophobicContact CB-CE2 4.21Å; D642-Y647 PolarHBondContact N-OH 2.87Å; D642-Y647 PolarHBondContact OD1-OH 3.42Å; K643-Y647 PolarHBondContact N-OH 2.82Å; K643-Y647 VanDerWaalsContact O-CE2 3.27Å; K643-Y647 WeakPolarHBondContact O-CE2 3.5Å; K643-Y647 PolarHBondContact O-OH 3.04Å; Y647-K664 WeakPolarHBondContact O-CA 3.46Å; Y647-V665 PolarHBondContact N-O 2.85Å; Y647-V665 PolarHBondContact O-N 3.34Å; Y647-I667 HydrophobicContact CD1-CG1 4.47Å; Y647-I667 HydrophobicContact CD2-CB 3.88Å; Y647-I667 HydrophobicContact CD2-CG1 3.24Å; Y647-I667 HydrophobicContact CE2-CB 3.88Å; Y647-I667 HydrophobicContact CE2-CG1 3.61Å; Y647-I667 HydrophobicContact CE2-CG2 4.36Å; Y647-I667 HydrophobicContact CG-CG1 3.76Å |
| 648 | V | 80.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.2 | -178.3 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | I618 N619 P662 L663 | I618-V648 WeakPolarHBondContact CA-O 3.4Å; N619-V648 PolarHBondContact N-O 3.41Å; N619-V648 PolarHBondContact OD1-N 2.88Å; V648-P662 HydrophobicContact CG1-CB 3.71Å; V648-L663 CarbonylContact C-O 3.55Å; V648-L663 WeakPolarHBondContact CA-O 3.38Å |
| 649 | I | 86 | Confident | 79.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 110.2 | -178.8 | -57.7 | 173.9 | 0 | 0 | 0 | 107.7 | V591 F602 I618 F639 V651 C661 P662 L663 V665 | V591-I649 HydrophobicContact CG1-CD1 4.15Å; V591-I649 HydrophobicContact CG2-CD1 4.21Å; F602-I649 HydrophobicContact CD1-CD1 4.43Å; F602-I649 HydrophobicContact CE1-CD1 3.78Å; F602-I649 HydrophobicContact CE1-CG2 4.38Å; F602-I649 HydrophobicContact CE2-CG2 4.11Å; F602-I649 HydrophobicContact CZ-CD1 3.96Å; F602-I649 HydrophobicContact CZ-CG2 3.55Å; I618-I649 HydrophobicContact CD1-CG1 4.46Å; I618-I649 HydrophobicContact CG1-CG1 4.22Å; I618-I649 HydrophobicContact CG1-CG2 4.43Å; I618-I649 HydrophobicContact CG2-CG1 4.43Å; F639-I649 HydrophobicContact CE1-CD1 4.09Å; F639-I649 HydrophobicContact CZ-CD1 4.46Å; I649-V651 HydrophobicContact CG2-CG2 4.23Å; I649-C661 PolarHBondContact O-SG 3.23Å; I649-C661 VanDerWaalsContact O-SG 3.38Å; I649-P662 CarbonylContact O-C 3.4Å; I649-P662 WeakPolarHBondContact O-CA 3.47Å; I649-L663 HydrophobicContact CB-CB 4.39Å; I649-L663 PolarHBondContact N-O 2.82Å; I649-L663 PolarHBondContact O-N 3.03Å; I649-V665 HydrophobicContact CD1-CG2 3.69Å; I649-V665 HydrophobicContact CG1-CG2 4.49Å |
| 650 | D | 82.3 | Confident | 78.6 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.5 | 176.4 | -151.5 | -2.9 | 0 | 0 | 0 | 110.7 | I616 S617 C661 P662 | I616-D650 WeakPolarHBondContact CA-O 3.49Å; S617-D650 PolarHBondContact N-O 2.79Å; S617-D650 PolarHBondContact O-N 3.39Å; D650-C661 WeakPolarHBondContact OD1-CB 3.39Å; D650-P662 HydrophobicContact CB-CB 4.07Å |
| 651 | V | 85.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 126.7 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | I588 I604 L614 E615 I616 I649 V658 C661 | I588-V651 HydrophobicContact CD1-CB 4.16Å; I588-V651 HydrophobicContact CD1-CG2 3.97Å; I604-V651 HydrophobicContact CD1-CG1 3.98Å; I604-V651 HydrophobicContact CD1-CG2 3.82Å; L614-V651 HydrophobicContact CD2-CG1 3.62Å; E615-V651 CarbonylContact O-C 3.55Å; E615-V651 VanDerWaalsContact O-CA 3.32Å; E615-V651 WeakPolarHBondContact O-CA 3.43Å; I616-V651 HydrophobicContact CG1-CG1 4.17Å; I616-V651 HydrophobicContact CG1-CG2 4.32Å; I616-V651 HydrophobicContact CG2-CG2 4.35Å; I649-V651 HydrophobicContact CG2-CG2 4.23Å; V651-V658 HydrophobicContact CB-CB 4.25Å; V651-V658 HydrophobicContact CB-CG2 4.35Å; V651-V658 HydrophobicContact CG1-CB 4.19Å; V651-V658 HydrophobicContact CG1-CG2 3.8Å; V651-V658 WeakPolarHBondContact O-CB 3.41Å; V651-V658 PolarHBondContact O-N 3.01Å; V651-C661 HydrophobicContact CB-CB 4.47Å; V651-C661 PolarHBondContact N-SG 3.11Å |
| 652 | T | 81.4 | Confident | 77.8 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 152.5 | 174.5 | 90.3 | 0 | 0 | 0 | 0 | 111.4 | L614 E615 G655 Q656 | L614-T652 WeakPolarHBondContact CA-O 3.42Å; E615-T652 PolarHBondContact N-O 2.8Å; E615-T652 PolarHBondContact O-N 2.76Å; T652-G655 WeakPolarHBondContact OG1-CA 3.34Å; T652-G655 PolarHBondContact OG1-N 2.98Å; T652-Q656 CarbonylContact C-O 3.53Å; T652-Q656 VanDerWaalsContact CA-O 3.23Å; T652-Q656 WeakPolarHBondContact CA-O 3.42Å; T652-Q656 WeakPolarHBondContact CB-O 3.46Å |
| 653 | L | 82.2 | Confident | 77.8 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.8 | 167.7 | -178.8 | 69 | 0 | 0 | 0 | 107.5 | Y581 V586 A609 Q613 L614 G655 Q656 V658 | Y581-L653 HydrophobicContact CD2-CD2 3.98Å; Y581-L653 HydrophobicContact CD2-CG 4.24Å; V586-L653 HydrophobicContact CG2-CB 4.35Å; V586-L653 HydrophobicContact CG2-CD2 3.82Å; A609-L653 HydrophobicContact CB-CD2 3.69Å; Q613-L653 WeakPolarHBondContact O-CA 3.32Å; L614-L653 HydrophobicContact CG-CD1 4.27Å; L653-G655 PolarHBondContact O-N 3.42Å; L653-Q656 PolarHBondContact N-O 3.49Å; L653-Q656 PolarHBondContact O-N 2.88Å; L653-Q656 VanDerWaalsContact O-N 3.09Å; L653-V658 HydrophobicContact CB-CG2 4.47Å |
| 654 | N | 76.8 | Confident | 77.8 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37 | -172.1 | -47.2 | -54.4 | 0 | 0 | 0 | 113 | M495 Y581 G612 Q613 Q656 | M495-N654 VanDerWaalsContact CE-CG 3.49Å; M495-N654 WeakPolarHBondContact CE-ND2 3.26Å; M495-N654 WeakPolarHBondContact CE-OD1 3.37Å; Y581-N654 WeakPolarHBondContact CD2-ND2 3.42Å; Y581-N654 HydrophobicContact CE2-CB 4.01Å; Y581-N654 VanDerWaalsContact CE2-ND2 3.31Å; Y581-N654 WeakPolarHBondContact CE2-ND2 3.05Å; Y581-N654 VanDerWaalsContact CG-ND2 3.33Å; G612-N654 WeakPolarHBondContact CA-ND2 3.35Å; G612-N654 WeakPolarHBondContact CA-OD1 3.47Å; Q613-N654 PolarHBondContact N-OD1 3.24Å; Q613-N654 PolarHBondContact O-N 3.41Å; N654-Q656 PolarHBondContact O-N 2.82Å |
| 655 | G | 69.9 | Low | 78.2 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -3.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T652 L653 | T652-G655 WeakPolarHBondContact OG1-CA 3.34Å; T652-G655 PolarHBondContact OG1-N 2.98Å; L653-G655 PolarHBondContact O-N 3.42Å |
| 656 | Q | 77.3 | Confident | 78.1 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.2 | 166.1 | -64.4 | -79.1 | -41.3 | 0 | 0 | 109.1 | Y581 P583 T652 L653 N654 | Y581-Q656 HydrophobicContact CE2-CG 4.21Å; P583-Q656 HydrophobicContact CB-CB 4.18Å; P583-Q656 HydrophobicContact CG-CB 3.46Å; P583-Q656 VanDerWaalsContact CG-CB 3.46Å; P583-Q656 HydrophobicContact CG-CG 4.12Å; T652-Q656 CarbonylContact C-O 3.53Å; T652-Q656 VanDerWaalsContact CA-O 3.23Å; T652-Q656 WeakPolarHBondContact CA-O 3.42Å; T652-Q656 WeakPolarHBondContact CB-O 3.46Å; L653-Q656 PolarHBondContact N-O 3.49Å; L653-Q656 PolarHBondContact O-N 2.88Å; L653-Q656 VanDerWaalsContact O-N 3.09Å; N654-Q656 PolarHBondContact O-N 2.82Å |
| 657 | P | 77.8 | Confident | 78.4 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 142.1 | -179 | 26.4 | -33.2 | 0 | 0 | 0 | 112.2 | F175 | F175-P657 HydrophobicContact CD2-CG 3.73Å; F175-P657 HydrophobicContact CE2-CG 3.52Å; F175-P657 HydrophobicContact CZ-CG 4.15Å |
| 658 | V | 83.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 147 | -179.4 | 165.7 | 0 | 0 | 0 | 0 | 111.5 | V586 I588 V651 L653 G660 C661 | V586-V658 HydrophobicContact CB-CB 4.4Å; V586-V658 HydrophobicContact CB-CG1 3.72Å; V586-V658 HydrophobicContact CB-CG2 3.79Å; V586-V658 HydrophobicContact CG1-CB 4.48Å; V586-V658 HydrophobicContact CG1-CG1 3.77Å; V586-V658 HydrophobicContact CG1-CG2 3.85Å; V586-V658 HydrophobicContact CG2-CG2 3.97Å; I588-V658 HydrophobicContact CD1-CG1 3.8Å; I588-V658 HydrophobicContact CG1-CG1 4Å; V651-V658 HydrophobicContact CB-CB 4.25Å; V651-V658 HydrophobicContact CB-CG2 4.35Å; V651-V658 HydrophobicContact CG1-CB 4.19Å; V651-V658 HydrophobicContact CG1-CG2 3.8Å; V651-V658 WeakPolarHBondContact O-CB 3.41Å; V651-V658 PolarHBondContact O-N 3.01Å; L653-V658 HydrophobicContact CB-CG2 4.47Å; V658-G660 PolarHBondContact O-N 2.85Å; V658-C661 PolarHBondContact O-N 2.93Å |
| 659 | R | 76 | Confident | 75.5 | Confident | 202 Ų | 202 | 45.7 Ų | 45.7 | 76% | 0.762 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 103.6 | -179.4 | -170.1 | -176.8 | -166.5 | -164.8 | 6 | 111.9 | ||
| 660 | G | 68.8 | Low | 73.6 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.1 | -19.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V658 | V658-G660 PolarHBondContact O-N 2.85Š|
| 661 | C | 73 | Confident | 71.4 | Confident | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 157.6 | 175 | -81.9 | 0 | 0 | 0 | 0 | 113.3 | I588 I649 D650 V651 V658 | I588-C661 WeakPolarHBondContact CD1-SG 3.18Å; I649-C661 PolarHBondContact O-SG 3.23Å; I649-C661 VanDerWaalsContact O-SG 3.38Å; D650-C661 WeakPolarHBondContact OD1-CB 3.39Å; V651-C661 HydrophobicContact CB-CB 4.47Å; V651-C661 PolarHBondContact N-SG 3.11Å; V658-C661 PolarHBondContact O-N 2.93Å |
| 662 | P | 67.2 | Low | 69.1 | Low | 60 Ų | 60 | 55.8 Ų | 55.8 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -66.7 | 129.1 | -11.6 | 26.7 | -34 | 0 | 0 | 0 | 111.9 | V648 I649 D650 | V648-P662 HydrophobicContact CG1-CB 3.71Å; I649-P662 CarbonylContact O-C 3.4Å; I649-P662 WeakPolarHBondContact O-CA 3.47Å; D650-P662 HydrophobicContact CB-CB 4.07Å |
| 663 | L | 78.2 | Confident | 66.8 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 142.4 | -177.9 | -162.9 | 87.5 | 0 | 0 | 0 | 109.5 | V591 V648 I649 V665 | V591-L663 HydrophobicContact CB-CD2 4.19Å; V591-L663 HydrophobicContact CG2-CD2 3.44Å; V591-L663 VanDerWaalsContact CG2-CD2 3.44Å; V648-L663 CarbonylContact C-O 3.55Å; V648-L663 WeakPolarHBondContact CA-O 3.38Å; I649-L663 HydrophobicContact CB-CB 4.39Å; I649-L663 PolarHBondContact N-O 2.82Å; I649-L663 PolarHBondContact O-N 3.03Å; L663-V665 HydrophobicContact CD2-CG2 4.06Å |
| 664 | K | 77.2 | Confident | 64.3 | Low | 110 Ų | 110 | 69.8 Ų | 69.8 | 48% | 0.478 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.3 | 178.5 | -74.1 | 175.4 | 171.7 | -171.9 | 0 | 110.2 | H252 L646 Y647 | H252-K664 PolarHBondContact NE2-NZ 3.31Å; L646-K664 HydrophobicContact CD1-CB 4.12Å; L646-K664 HydrophobicContact CD2-CD 4.01Å; L646-K664 HydrophobicContact CD2-CG 4.19Å; L646-K664 HydrophobicContact CG-CB 4.48Å; Y647-K664 WeakPolarHBondContact O-CA 3.46Å |
| 665 | V | 80.8 | Confident | 62.1 | Low | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.8 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | V591 Y647 I649 L663 I667 | V591-V665 HydrophobicContact CB-CG2 3.84Å; V591-V665 HydrophobicContact CG1-CG1 4.13Å; V591-V665 HydrophobicContact CG1-CG2 3.86Å; V591-V665 HydrophobicContact CG2-CG2 4.33Å; Y647-V665 PolarHBondContact N-O 2.85Å; Y647-V665 PolarHBondContact O-N 3.34Å; I649-V665 HydrophobicContact CD1-CG2 3.69Å; I649-V665 HydrophobicContact CG1-CG2 4.49Å; L663-V665 HydrophobicContact CD2-CG2 4.06Å; V665-I667 HydrophobicContact CG1-CD1 4.28Å |
| 666 | D | 75.7 | Confident | 60.1 | Low | 92 Ų | 92 | 77.1 Ų | 77.1 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.4 | 173 | -79 | -58.7 | 0 | 0 | 0 | 111.5 | G594 L646 F668 | G594-D666 PolarHBondContact N-O 2.85Å; L646-D666 WeakPolarHBondContact CD1-OD1 3.28Å; D666-F668 HydrophobicContact CB-CZ 4.49Å |
| 667 | I | 81 | Confident | 57.8 | Low | 5 Ų | 5 | 79.7 Ų | 79.7 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.7 | 174.1 | -58 | -56.5 | 0 | 0 | 0 | 108.7 | G594 V596 V600 F639 P641 G644 G645 Y647 V665 | G594-I667 WeakPolarHBondContact O-CA 3.35Å; V596-I667 HydrophobicContact CG2-CG2 4.21Å; V600-I667 HydrophobicContact CG2-CD1 3.92Å; F639-I667 HydrophobicContact CE2-CD1 4.46Å; F639-I667 HydrophobicContact CZ-CD1 4.35Å; P641-I667 HydrophobicContact CB-CB 4.31Å; P641-I667 HydrophobicContact CB-CD1 4.4Å; P641-I667 HydrophobicContact CB-CG1 4.05Å; P641-I667 HydrophobicContact CB-CG2 3.46Å; P641-I667 VanDerWaalsContact CB-CG2 3.46Å; P641-I667 HydrophobicContact CG-CD1 3.76Å; P641-I667 HydrophobicContact CG-CG1 3.97Å; P641-I667 HydrophobicContact CG-CG2 3.77Å; G644-I667 CarbonylContact C-O 3.58Å; G644-I667 WeakPolarHBondContact CA-O 3.5Å; G645-I667 PolarHBondContact N-O 2.9Å; G645-I667 WeakPolarHBondContact O-CB 3.43Å; G645-I667 PolarHBondContact O-N 3.09Å; Y647-I667 HydrophobicContact CD1-CG1 4.47Å; Y647-I667 HydrophobicContact CD2-CB 3.88Å; Y647-I667 HydrophobicContact CD2-CG1 3.24Å; Y647-I667 HydrophobicContact CE2-CB 3.88Å; Y647-I667 HydrophobicContact CE2-CG1 3.61Å; Y647-I667 HydrophobicContact CE2-CG2 4.36Å; Y647-I667 HydrophobicContact CG-CG1 3.76Å; V665-I667 HydrophobicContact CG1-CD1 4.28Å |
| 668 | F | 57.9 | Low | 55.3 | Low | 118 Ų | 118 | 85.6 Ų | 85.6 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.2 | -179.6 | -53.2 | -73.8 | 0 | 0 | 0 | 111.2 | G594 A595 V596 D666 A672 | G594-F668 WeakPolarHBondContact O-CD2 3.35Å; G594-F668 PolarHBondContact O-N 2.86Å; A595-F668 WeakPolarHBondContact CA-O 3.39Å; V596-F668 PolarHBondContact N-O 2.97Å; V596-F668 VanDerWaalsContact N-O 3.14Å; D666-F668 HydrophobicContact CB-CZ 4.49Å; F668-A672 HydrophobicContact CB-CB 3.74Å |
| 669 | G | 47.2 | Very low | 52.5 | Low | 27 Ų | 27 | 89.1 Ų | 89.1 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | trans | -82.9 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A671 A672 | G669-A671 PolarHBondContact O-N 3.38Å; G669-A672 WeakPolarHBondContact O-CB 3.24Å; G669-A672 PolarHBondContact O-N 3.21Å | ||
| 670 | D | 46.1 | Very low | 50.1 | Low | 136 Ų | 136 | 87.2 Ų | 87.2 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -14 | -173.8 | -65.1 | -23.4 | 0 | 0 | 0 | 116.4 | A672 | D670-A672 PolarHBondContact O-N 3.49Š|
| 671 | A | 36.5 | Very low | 48 | Very low | 92 Ų | 92 | 90.6 Ų | 90.6 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G669 | G669-A671 PolarHBondContact O-N 3.38Š|
| 672 | A | 36.1 | Very low | 45.7 | Very low | 38 Ų | 38 | 95.8 Ų | 95.8 | 31% | 0.314 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -86.5 | -29 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F668 G669 D670 R674 I675 | F668-A672 HydrophobicContact CB-CB 3.74Å; G669-A672 WeakPolarHBondContact O-CB 3.24Å; G669-A672 PolarHBondContact O-N 3.21Å; D670-A672 PolarHBondContact O-N 3.49Å; A672-R674 PolarHBondContact O-N 3.48Å; A672-I675 PolarHBondContact O-N 2.87Å |
| 673 | D | 32.6 | Very low | 43.7 | Very low | 97 Ų | 97 | 104.2 Ų | 104.2 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -3.9 | -179.1 | -105.8 | 17.7 | 0 | 0 | 0 | 112.8 | K598 | K598-D673 IonicContact NZ-OD2 3.68Š|
| 674 | R | 30.1 | Very low | 41.1 | Very low | 224 Ų | 224 | 110.2 Ų | 110.2 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -1.1 | 169.3 | -79.9 | -173.5 | 168.1 | -168.9 | -5.5 | 115.4 | A672 | A672-R674 PolarHBondContact O-N 3.48Š|
| 675 | I | 31 | Very low | 38.6 | Very low | 150 Ų | 150 | 112.6 Ų | 112.6 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -12.1 | 177.8 | -63.1 | 177 | 0 | 0 | 0 | 111.6 | A672 | A672-I675 PolarHBondContact O-N 2.87Š|
| 676 | A | 28.7 | Very low | 36 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -89.6 | 5.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 677 | S | 27.5 | Very low | 33.5 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -105 | -15.6 | -169.9 | 59.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 678 | D | 25.1 | Very low | 30.9 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -89.4 | 119.4 | 175.8 | -84.8 | -32 | 0 | 0 | 0 | 110.5 | ||
| 679 | G | 26.1 | Very low | 29.3 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -84.8 | 119.2 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 680 | I | 25.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 134 Ų | 134 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -124.3 | 109.3 | 150.5 | -60.7 | -178.8 | 0 | 0 | 0 | 108.6 | ||||
| 681 | S | 24.6 | Very low | 27.7 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.1 | 166.7 | -47.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 682 | P | 24.9 | Very low | 27 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 147.5 | 131.1 | -16.8 | 33 | 0 | 0 | 0 | 110.7 | ||
| 683 | R | 24.5 | Very low | 26.5 | Very low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 162.7 | 175.7 | -74.6 | 176.8 | 168.4 | 155.4 | -4.6 | 111.2 | ||
| 684 | M | 24.6 | Very low | 26.1 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 148.5 | 154.5 | -63.7 | 169.9 | 167.7 | 0 | 0 | 110.9 | ||
| 685 | D | 24.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | -148.3 | 142.3 | 125 | -129.1 | -24.4 | 0 | 0 | 0 | 109.7 | |||||
| 686 | S | 25.6 | Very low | 25.5 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -125 | 106.7 | -171.3 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 687 | N | 24.9 | Very low | 25.2 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -178.7 | 100.8 | 154.5 | -100.9 | -44.2 | 0 | 0 | 0 | 113.4 | ||||
| 688 | R | 24.9 | Very low | 25.3 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -177.4 | 137.1 | 131 | -103.5 | 176 | -169.5 | -153.7 | 3.2 | 111.2 | ||||
| 689 | S | 24.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -121.3 | 175.1 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 690 | P | 36.7 | Very low | 25.6 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -126 | -158.9 | -41.2 | 32.1 | -13.7 | 0 | 0 | 0 | 110.6 | ||||
| 691 | L | 23 | Very low | 25.8 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 74 | 113.5 | 174 | -50.1 | 174.2 | 0 | 0 | 0 | 116.1 | ||||
| 692 | W | 22.2 | Very low | 25.8 | Very low | 254 Ų | 254 | 146.3 Ų | 146.3 | 96% | 0.962 | 78% | 0.776 | S | S | * | * | -161 | 153 | 97.2 | -110.8 | 58.4 | 0 | 0 | 0 | 108.7 | |||||
| 693 | N | 26.3 | Very low | 26 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -123.6 | 152.2 | -178.7 | -157.3 | -7.6 | 0 | 0 | 0 | 109.5 | ||||
| 694 | R | 23.9 | Very low | 26 | Very low | 236 Ų | 236 | 144.4 Ų | 144.4 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 67.4 | 95.9 | 165.4 | -166 | -171 | -158.1 | 166.5 | 6.7 | 118.7 | ||||
| 695 | A | 22.3 | Very low | 26 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | -169.7 | 161.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 696 | Y | 26.3 | Very low | 26.2 | Very low | 220 Ų | 220 | 135.8 Ų | 135.8 | 86% | 0.863 | 77% | 0.769 | S | S | * | * | trans | 65 | 118.1 | 173.9 | -54 | -74.7 | 0 | 0 | 0 | 115.4 | ||||
| 697 | A | 22 | Very low | 26.1 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | 65 | 102.7 | 21.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 698 | S | 29.3 | Very low | 26.3 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 156.2 | 169.8 | -159.8 | 0 | 0 | 0 | 0 | 110.4 | V700 | S698-V700 PolarHBondContact OG-N 2.8Š| ||
| 699 | P | 31 | Very low | 26.2 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | -145.6 | 125.8 | 87.9 | 34 | -15.5 | 0 | 0 | 0 | 116.8 | |||||
| 700 | V | 27.4 | Very low | 26.4 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 44% | 0.442 | 78% | 0.783 | S | S | . | * | 54.9 | 143 | 121.6 | -177 | 0 | 0 | 0 | 0 | 121.7 | S698 | S698-V700 PolarHBondContact OG-N 2.8Š| |||
| 701 | S | 27.7 | Very low | 25.9 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 79.4 | 138.1 | 168.6 | 77.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 702 | S | 25 | Very low | 25.9 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -137 | 167.1 | -1.3 | 65.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 703 | I | 28.7 | Very low | 26 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | -146.5 | 139.8 | 65.2 | -75.8 | 165 | 0 | 0 | 0 | 110.6 | |||||
| 704 | L | 25.1 | Very low | 25.9 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -89.5 | 141.4 | 162.8 | -84.9 | 166 | 0 | 0 | 0 | 110.1 | ||||
| 705 | G | 24.9 | Very low | 25.8 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 177.8 | 93.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 706 | G | 27.7 | Very low | 26 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 113.3 | 82 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 707 | E | 25.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -72.5 | 132.5 | 145.2 | -73.1 | -164.2 | 143.4 | 0 | 0 | 109.1 | ||||
| 708 | Q | 28.1 | Very low | 26 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -121 | 126 | 148.9 | -84.8 | -150.7 | -6.4 | 0 | 0 | 109.9 | Y710 | Q708-Y710 PolarHBondContact O-N 2.88Š| ||
| 709 | R | 23.4 | Very low | 25.8 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 105.9 | 178.9 | -64.6 | 175.6 | 179.8 | 176 | -3.4 | 110.6 | ||||
| 710 | Y | 28.2 | Very low | 25.5 | Very low | 232 Ų | 232 | 146.3 Ų | 146.3 | 91% | 0.91 | 77% | 0.774 | S | S | * | * | -94.4 | 129 | 129.5 | -84.4 | -99 | 0 | 0 | 0 | 106.5 | Q708 | Q708-Y710 PolarHBondContact O-N 2.88Š| |||
| 711 | G | 26.1 | Very low | 25.3 | Very low | 46 Ų | 46 | 153 Ų | 153 | 47% | 0.474 | 79% | 0.791 | S | S | . | * | cis | 132 | 91.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V713 | G711-V713 PolarHBondContact O-N 2.99Š| ||
| 712 | D | 22.5 | Very low | 25.2 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -62.9 | 91.1 | -164.5 | -59.8 | -69.5 | 0 | 0 | 0 | 114.5 | K714 | D712-K714 PolarHBondContact O-N 3.3Š| ||
| 713 | V | 25.7 | Very low | 25.4 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 88.6 | 166.2 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | G711 W715 | G711-V713 PolarHBondContact O-N 2.99Å; V713-W715 PolarHBondContact O-N 3.46Å | ||
| 714 | K | 22.5 | Very low | 25.2 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -57.2 | 97 | 171 | -73.8 | -170.1 | 172.3 | -167.7 | 0 | 110.9 | D712 N716 | D712-K714 PolarHBondContact O-N 3.3Å; K714-N716 VanDerWaalsContact C-N 3.28Å; K714-N716 PolarHBondContact O-N 3.43Å | ||
| 715 | W | 23.6 | Very low | 25.3 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 83.5 | 170.9 | -89.1 | 95.3 | 0 | 0 | 0 | 110.9 | V713 M717 | V713-W715 PolarHBondContact O-N 3.46Å; W715-M717 PolarHBondContact O-N 3.2Å | ||
| 716 | N | 25.4 | Very low | 25.3 | Very low | 126 Ų | 126 | 151 Ų | 151 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 91.9 | 176.8 | 178.4 | -0.2 | 0 | 0 | 0 | 111.5 | K714 S718 | K714-N716 VanDerWaalsContact C-N 3.28Å; K714-N716 PolarHBondContact O-N 3.43Å; N716-S718 VanDerWaalsContact C-N 3.28Å; N716-S718 PolarHBondContact O-N 2.74Å; N716-S718 VanDerWaalsContact O-N 3.15Å; N716-S718 PolarHBondContact OD1-N 2.89Å; N716-S718 PolarHBondContact OD1-OG 3.12Å | ||
| 717 | M | 23.9 | Very low | 25.6 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 51.8 | -177.4 | -148 | 175.3 | -164.4 | 0 | 0 | 113.3 | W715 | W715-M717 PolarHBondContact O-N 3.2Š| ||
| 718 | S | 23.8 | Very low | 25.6 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 38.7 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | N716 | N716-S718 VanDerWaalsContact C-N 3.28Å; N716-S718 PolarHBondContact O-N 2.74Å; N716-S718 VanDerWaalsContact O-N 3.15Å; N716-S718 PolarHBondContact OD1-N 2.89Å; N716-S718 PolarHBondContact OD1-OG 3.12Å | ||
| 719 | K | 25.8 | Very low | 25.5 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -150.7 | 154.2 | 170.9 | -104.5 | 158.9 | -170.9 | 173.1 | 0 | 111.7 | ||||
| 720 | L | 24.8 | Very low | 25.5 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | 74.7 | 71.4 | 172 | -63.2 | 163.7 | 0 | 0 | 0 | 118.3 | ||||
| 721 | R | 23.6 | Very low | 25.5 | Very low | 213 Ų | 213 | 146.5 Ų | 146.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -123.6 | 150.2 | 109 | -64.8 | -169.4 | -177.6 | -173.3 | 2.6 | 106.5 | |||||
| 722 | S | 26.3 | Very low | 25.4 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | cis | -151.3 | 154.8 | 12.5 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 723 | A | 28.2 | Very low | 25.4 | Very low | 82 Ų | 82 | 148.5 Ų | 148.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -172 | 106.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 724 | T | 24.7 | Very low | 25.5 | Very low | 122 Ų | 122 | 148 Ų | 148 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 44.3 | 108.7 | 97.2 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 725 | D | 27.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | -155.4 | -177.7 | 50.1 | -131.5 | -43.8 | 0 | 0 | 0 | 115.5 | |||||
| 726 | A | 25.4 | Very low | 25.9 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 158.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 727 | P | 32.9 | Very low | 25.9 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -97.7 | 162.4 | -160.3 | 37.8 | -37.3 | 0 | 0 | 0 | 115.5 | ||||
| 728 | T | 25.7 | Very low | 26.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -157 | 125.5 | 153.9 | 2.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 729 | R | 25.2 | Very low | 26.5 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 74.6 | 117.7 | 147.1 | -71.1 | 177.7 | 174.9 | -174.6 | -2.6 | 123.4 | ||||
| 730 | I | 23.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 57.9 | 113.4 | 120.8 | -53.9 | 163.6 | 0 | 0 | 0 | 118.5 | |||||
| 731 | Y | 27.6 | Very low | 26.6 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | -169.3 | 111.1 | 105.3 | -99.8 | -81.5 | 0 | 0 | 0 | 106.3 | |||||
| 732 | Q | 23.8 | Very low | 26.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | 74.3 | 118.1 | 77.5 | -149.4 | -176.6 | 8.9 | 0 | 0 | 114.7 | |||||
| 733 | S | 24.2 | Very low | 27.1 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 60.8 | 151.3 | 148.9 | 53.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 734 | S | 26.2 | Very low | 27 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | 173.7 | 154.1 | -21 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 735 | V | 27.9 | Very low | 27 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 68.7 | 145.6 | 156.1 | 166.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 736 | D | 26.4 | Very low | 26.9 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | cis | -174.1 | 173.4 | -22.6 | -102.8 | -33.9 | 0 | 0 | 0 | 108.1 | ||||
| 737 | S | 26.6 | Very low | 27 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -167.2 | -178 | -10.9 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 738 | S | 30.2 | Very low | 26.7 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | 69.4 | 126.2 | 139.2 | 62 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 739 | R | 29.8 | Very low | 26.7 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | 71.3 | 151.9 | 137.7 | -70.6 | -170.8 | -180 | 171.9 | 0.4 | 119.5 | ||||
| 740 | D | 27.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | cis | -144.7 | 158.9 | -13.6 | -82.4 | -39.9 | 0 | 0 | 0 | 106 | ||||
| 741 | G | 26.6 | Very low | 26.8 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | 141.7 | 165.8 | 69.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 742 | E | 24.6 | Very low | 26.7 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -127.7 | -170.3 | -168.6 | -98.7 | -120 | 121.6 | 0 | 0 | 110.6 | ||||
| 743 | P | 35.7 | Very low | 26.9 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | cis | -143.3 | -167.2 | -25.5 | 29.1 | -3.4 | 0 | 0 | 0 | 116.9 | ||||
| 744 | V | 26.1 | Very low | 26.9 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | trans | 75.9 | 139.7 | 148.9 | -110.6 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 745 | Y | 23.7 | Very low | 26.8 | Very low | 204 Ų | 204 | 131.2 Ų | 131.2 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | 103.2 | 101.4 | 136.3 | -82.1 | -50.6 | 0 | 0 | 0 | 124.9 | ||||
| 746 | S | 25.1 | Very low | 26.6 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | 77.5 | 119.5 | 125.6 | 67.1 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 747 | N | 27.6 | Very low | 26.4 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | 96.2 | 138.6 | 117.9 | -78.6 | 4.7 | 0 | 0 | 0 | 125.7 | |||||
| 748 | V | 26.2 | Very low | 26.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 95.3 | 104.2 | 150.6 | 170.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 749 | C | 25.5 | Very low | 26.1 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 38.1 | 132.4 | 137.4 | -50 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 750 | A | 26.8 | Very low | 26 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | 177.8 | 148.7 | 100.5 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 751 | N | 25.9 | Very low | 26 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -3.9 | 162.5 | 148.5 | -64.4 | 11.3 | 0 | 0 | 0 | 121.6 | ||||
| 752 | S | 25 | Very low | 26 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -170.9 | -168.9 | -17.7 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 753 | D | 28.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | 71.7 | 147 | 168.8 | -61.2 | 21.2 | 0 | 0 | 0 | 116.4 | ||||
| 754 | A | 23.4 | Very low | 25.6 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | cis | 132 | 163.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 755 | Y | 23.8 | Very low | 25.7 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 75.7 | 93.1 | 171.2 | -89.2 | -103.1 | 0 | 0 | 0 | 121.3 | ||||
| 756 | Y | 23.2 | Very low | 25.8 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | 61.4 | 112.2 | 108.4 | -101.6 | -64.5 | 0 | 0 | 0 | 121.2 | |||||
| 757 | R | 23.9 | Very low | 25.8 | Very low | 195 Ų | 195 | 140 Ų | 140 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | 148.7 | 141.9 | 107.9 | -89.1 | 169.4 | -177.9 | 170.2 | 1.6 | 114.8 | |||||
| 758 | R | 26.6 | Very low | 25.8 | Very low | 222 Ų | 222 | 140.3 Ų | 140.3 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | 65.3 | 124.5 | 161.3 | -67.5 | 168.9 | 171.9 | 157.5 | -3.1 | 113.9 | ||||
| 759 | A | 23.1 | Very low | 26 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | 65.2 | 157.8 | 56.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 760 | V | 27.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | 95.5 | 90 | 179.1 | -171.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 761 | K | 27.6 | Very low | 26.4 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 76.7 | 145.2 | 137.8 | -63.3 | 172.1 | -170.3 | 162.8 | 0 | 121 | ||||
| 762 | K | 25.3 | Very low | 26.3 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | trans | 74.7 | 151 | 156.7 | -67.1 | 160.3 | 172 | -104.4 | 0 | 114.1 | S764 | K762-S764 WeakPolarHBondContact CE-O 3.28Å; K762-S764 WeakPolarHBondContact CG-O 3.29Å; K762-S764 WeakPolarHBondContact CG-OG 3.31Å; K762-S764 PolarHBondContact NZ-O 3.25Å | ||
| 763 | P | 29.1 | Very low | 26.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 90% | 0.903 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -68.9 | 124.5 | 25.7 | 26.8 | -36.1 | 0 | 0 | 0 | 115.4 | ||
| 764 | S | 24 | Very low | 26.5 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 50% | 0.497 | 73% | 0.733 | S | S | . | * | trans | -167.7 | 146.9 | 168.8 | -17.9 | 0 | 0 | 0 | 0 | 108.6 | K762 | K762-S764 WeakPolarHBondContact CE-O 3.28Å; K762-S764 WeakPolarHBondContact CG-O 3.29Å; K762-S764 WeakPolarHBondContact CG-OG 3.31Å; K762-S764 PolarHBondContact NZ-O 3.25Å | ||
| 765 | P | 27.2 | Very low | 26.6 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 53% | 0.532 | 74% | 0.735 | S | S | . | * | cis | -89.1 | 172.5 | -44.1 | 37.8 | -30.6 | 0 | 0 | 0 | 110.3 | Q767 | P765-Q767 HydrophobicContact CB-CG 4.44Å; P765-Q767 HydrophobicContact CG-CB 3.98Å; P765-Q767 HydrophobicContact CG-CG 3.68Å; P765-Q767 PolarHBondContact O-N 2.97Å | ||
| 766 | M | 25.8 | Very low | 26.6 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -72.2 | 101.6 | 147.1 | -86.6 | -177.2 | 65.2 | 0 | 0 | 107.5 | M768 | M766-M768 VanDerWaalsContact CE-O 3.29Å; M766-M768 WeakPolarHBondContact CE-O 3.29Å | ||
| 767 | Q | 25.8 | Very low | 27 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -106.9 | 55.9 | 164.7 | -97.3 | -172.7 | -60.7 | 0 | 0 | 110 | P765 | P765-Q767 HydrophobicContact CB-CG 4.44Å; P765-Q767 HydrophobicContact CG-CB 3.98Å; P765-Q767 HydrophobicContact CG-CG 3.68Å; P765-Q767 PolarHBondContact O-N 2.97Å | ||
| 768 | M | 27.4 | Very low | 27.3 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | trans | -167.5 | 128.8 | 162.6 | -103.2 | 169.8 | 172.9 | 0 | 0 | 105.4 | M766 | M766-M768 VanDerWaalsContact CE-O 3.29Å; M766-M768 WeakPolarHBondContact CE-O 3.29Å | ||
| 769 | S | 31.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | cis | -141.7 | -177.8 | -5.9 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 770 | E | 31.4 | Very low | 27.5 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 26.7 | 142.5 | 152.9 | -63.4 | 136.5 | 152.9 | 0 | 0 | 121.6 | ||||
| 771 | G | 28.2 | Very low | 27.3 | Very low | 62 Ų | 62 | 149.9 Ų | 149.9 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | cis | 119.3 | 98 | 0.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 772 | Q | 24.5 | Very low | 27.3 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | 72.7 | 163.8 | 159.3 | -50.3 | -176.1 | -109.2 | 0 | 0 | 118.6 | ||||
| 773 | M | 27 | Very low | 27.4 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 70.4 | 131.2 | 168.2 | -54.1 | -171.7 | 73.1 | 0 | 0 | 115.1 | ||||
| 774 | D | 29.7 | Very low | 27.3 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | cis | -149.9 | 157.8 | -1.8 | -93.8 | -22.5 | 0 | 0 | 0 | 107 | ||||
| 775 | N | 26.3 | Very low | 27.4 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | 67.9 | 95.3 | 17 | -130.3 | 13.7 | 0 | 0 | 0 | 117.6 | ||||
| 776 | F | 24.7 | Very low | 27.4 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 70.3 | 109.8 | 168 | -84.5 | -97.1 | 0 | 0 | 0 | 119.8 | ||||
| 777 | Y | 30.4 | Very low | 27.6 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -145.2 | 101.9 | 139.5 | -130.3 | -92.2 | 0 | 0 | 0 | 113 | ||||
| 778 | R | 31.2 | Very low | 27.5 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | trans | 64.2 | 145.9 | 160.4 | -66.6 | -178.2 | -171.8 | -176.1 | 6.3 | 119.1 | ||||
| 779 | R | 29.1 | Very low | 27.4 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | cis | -160.8 | 149.2 | -22.6 | -158 | 172.9 | -165.6 | 164.7 | 4 | 109.2 | ||||
| 780 | H | 24.8 | Very low | 27.2 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | trans | -78.9 | 151.5 | 176 | -83 | -96.7 | 0 | 0 | 0 | 113.9 | ||||
| 781 | V | 23.2 | Very low | 26.9 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 38 | 112.2 | 143.6 | -174 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 782 | I | 27.2 | Very low | 26.7 | Very low | 149 Ų | 149 | 149 Ų | 149 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | -176.5 | 142.6 | 130 | -99.3 | 160.8 | 0 | 0 | 0 | 110.6 | |||||
| 783 | N | 27.4 | Very low | 26.8 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 69.3 | 123.7 | 163.5 | -74.3 | 4.1 | 0 | 0 | 0 | 123.6 | ||||
| 784 | S | 26 | Very low | 26.7 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | 67.1 | 118.9 | 130.4 | 66.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 785 | D | 28 | Very low | 26.5 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | 68.5 | 146.3 | 131.3 | -53.5 | -14.2 | 0 | 0 | 0 | 120.9 | ||||
| 786 | T | 26.8 | Very low | 26.5 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | cis | -160.4 | 166.4 | -28.1 | 30.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 787 | T | 28.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 153.7 | 171.6 | 64.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 788 | S | 24.7 | Very low | 26.3 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | 126.2 | 120.4 | -7 | -174 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 789 | S | 25.9 | Very low | 26 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 79.1 | 163.1 | 157.5 | 81.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 790 | A | 25.6 | Very low | 25.9 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | 80.9 | 99.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 791 | L | 25.8 | Very low | 26.2 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 42.8 | 132.6 | 114.1 | -88 | 165.1 | 0 | 0 | 0 | 122.4 | |||||
| 792 | R | 24.4 | Very low | 26.6 | Very low | 220 Ų | 220 | 121.3 Ų | 121.3 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 83.6 | 119.7 | 154.7 | -62.6 | -175.8 | -176.5 | -144.4 | 2.8 | 120.5 | ||||
| 793 | S | 26.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 73.5 | 154.9 | 129.3 | 70.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 794 | A | 24.6 | Very low | 26.7 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 86.9 | 111.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 795 | V | 25.7 | Very low | 26.9 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | trans | 49.1 | 112.3 | 133.3 | -172.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 796 | G | 26.1 | Very low | 27 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 170.8 | 82.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 797 | V | 26.5 | Very low | 27.3 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | 45.1 | 99.2 | 136.1 | -177.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 798 | T | 24.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 64.7 | 134.7 | 140.2 | 61.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 799 | T | 25.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 79.1 | 106.4 | 139 | 46 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 800 | S | 27.2 | Very low | 27.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | 72.8 | 102.9 | 124.9 | 66.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 801 | S | 30.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 68.7 | 119.3 | 121.4 | 65.5 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 802 | S | 32.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 148.2 | 135 | 65 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 803 | M | 29.2 | Very low | 28.1 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | cis | -164.8 | 164.3 | 0 | -126.9 | -179.4 | 171.6 | 0 | 0 | 113.7 | ||||
| 804 | T | 27.9 | Very low | 28.2 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | 60.5 | 109.3 | 150.5 | 46.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 805 | T | 29 | Very low | 28.5 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | 79.7 | 146.6 | 81 | 54.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 806 | S | 30.8 | Very low | 28.8 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -174.8 | -170.6 | -14.7 | 60.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 807 | N | 33.2 | Very low | 28.9 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 85.2 | 147.5 | 161 | -59 | -2.6 | 0 | 0 | 0 | 121 | ||||
| 808 | D | 32.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | cis | -168.5 | 157.5 | -27.7 | -165.6 | 15.3 | 0 | 0 | 0 | 111.9 | ||||
| 809 | R | 28.3 | Very low | 29.3 | Very low | 212 Ų | 212 | 130.3 Ų | 130.3 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 64.6 | 156.7 | 164 | -69.3 | 158.6 | -156 | -137.6 | -2.2 | 121.1 | ||||
| 810 | S | 26.3 | Very low | 29.5 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | -174.7 | 134.7 | -26.8 | -95.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 811 | Q | 27.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | trans | 55.6 | 162.6 | 138.1 | -65.7 | -175.3 | -15.4 | 0 | 0 | 120.9 | ||||
| 812 | M | 28.3 | Very low | 30 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | cis | -162.4 | 168.8 | -0.6 | -131.9 | 174 | -175.1 | 0 | 0 | 112.9 | ||||
| 813 | A | 28.7 | Very low | 30 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | 66.2 | 168.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 814 | A | 28.9 | Very low | 30.2 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | cis | -140.3 | -169.1 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 815 | E | 30 | Very low | 30.1 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | cis | -153.7 | -174.5 | 6 | -149.6 | 40.9 | -73.3 | 0 | 0 | 105.6 | ||||
| 816 | E | 31.8 | Very low | 30 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 58% | 0.584 | 73% | 0.731 | S | S | * | * | cis | -155.5 | -174.8 | 11.3 | -158.6 | -125.1 | -139.8 | 0 | 0 | 110.2 | F818 | E816-F818 WeakPolarHBondContact OE2-CD2 3.22Š| ||
| 817 | S | 29.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 86.9 | 135.9 | 157.7 | 82.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 818 | F | 30.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | cis | -158.8 | 167.4 | -41.3 | -144.3 | -93.8 | 0 | 0 | 0 | 109.5 | E816 | E816-F818 WeakPolarHBondContact OE2-CD2 3.22Š| ||
| 819 | K | 29.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 72.7 | 159.6 | 169.9 | -57.2 | -176.6 | -174 | 177 | 0 | 116.1 | ||||
| 820 | V | 28.5 | Very low | 29 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -174.8 | 140 | -46.2 | 120.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 821 | Y | 30.2 | Very low | 29 | Very low | 219 Ų | 219 | 142.9 Ų | 142.9 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | cis | -154.3 | 168.3 | -16.5 | -137.9 | -135.1 | 0 | 0 | 0 | 108.4 | ||||
| 822 | P | 37.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -128.6 | -163.1 | -149.6 | 46.6 | -35.9 | 0 | 0 | 0 | 116.2 | ||||
| 823 | G | 31.9 | Very low | 29.1 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | trans | 161.2 | 147.6 | 156 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 824 | K | 33.1 | Very low | 29.1 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | cis | -152.5 | 144.3 | -3.9 | -76.2 | -177 | -178.9 | 178.1 | 0 | 106.1 | ||||
| 825 | S | 27.2 | Very low | 29.2 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | 73.3 | 133.6 | 44.9 | 87.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 826 | V | 26.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -171.9 | 152.3 | -0.9 | 106.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 827 | H | 29.8 | Very low | 29.1 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 68.5 | 177.6 | 152.1 | -73.9 | 15.1 | 0 | 0 | 0 | 124.2 | ||||
| 828 | S | 24.1 | Very low | 29.1 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -146.4 | 180 | -144.9 | 52 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 829 | Y | 25 | Very low | 29.3 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 96 | 111 | 157.5 | -83.3 | -69.3 | 0 | 0 | 0 | 123.5 | ||||
| 830 | Q | 25.4 | Very low | 29.4 | Very low | 154 Ų | 154 | 145 Ų | 145 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 73.3 | 117.6 | 127.7 | -105.3 | 175.9 | 13.8 | 0 | 0 | 125.2 | |||||
| 831 | R | 25.4 | Very low | 29.5 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 143.4 | 130.9 | 123.2 | -82.5 | -179.9 | 176.2 | -161.6 | -1.4 | 118.3 | |||||
| 832 | H | 30.9 | Very low | 29.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 57.6 | 111.2 | 142.6 | -57.2 | 138.9 | 0 | 0 | 0 | 126.3 | ||||
| 833 | A | 26.7 | Very low | 29.1 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | 76 | 110.6 | 112.6 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 834 | N | 29.1 | Very low | 28.9 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 90.2 | 142.5 | 124.2 | -71.9 | -15.9 | 0 | 0 | 0 | 125.9 | |||||
| 835 | Y | 31 | Very low | 29.3 | Very low | 227 Ų | 227 | 144 Ų | 144 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | 66.9 | 138.8 | 172.9 | -70 | -90.6 | 0 | 0 | 0 | 119.2 | ||||
| 836 | A | 27.4 | Very low | 29.3 | Very low | 75 Ų | 75 | 148 Ų | 148 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 167.7 | -23.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 837 | L | 32.1 | Very low | 29.4 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 131 | 175.8 | -56.9 | 170.4 | 0 | 0 | 0 | 114.9 | ||||
| 838 | R | 30.3 | Very low | 29.3 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | cis | -159.3 | 158.5 | -10.1 | -84.9 | -179.1 | 178.7 | 175.6 | 0.9 | 105.7 | ||||
| 839 | F | 35.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 147 Ų | 147 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | cis | -162.4 | 156.7 | -15.9 | -92.4 | -30.9 | 0 | 0 | 0 | 106.3 | ||||
| 840 | G | 31 | Very low | 29.5 | Very low | 65 Ų | 65 | 146.8 Ų | 146.8 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | -178.5 | 132.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 841 | K | 30.1 | Very low | 29.5 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | trans | 58.4 | 125.8 | 155.5 | -55.9 | -173.7 | 175.8 | -171.2 | 0 | 119.4 | ||||
| 842 | G | 30.1 | Very low | 29.6 | Very low | 61 Ų | 61 | 143.1 Ų | 143.1 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 145.4 | 120 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 843 | D | 29.6 | Very low | 29.4 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | 47.8 | 155.7 | 119 | -50.4 | -24.3 | 0 | 0 | 0 | 122.6 | |||||
| 844 | L | 27.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | cis | -178.1 | -172 | -34.7 | -101.8 | 167.4 | 0 | 0 | 0 | 107.4 | ||||
| 845 | P | 41 | Very low | 29.1 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -123.3 | -174.1 | -149.5 | 46.1 | -37.1 | 0 | 0 | 0 | 119.9 | ||||
| 846 | Q | 27.3 | Very low | 29.1 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 97.3 | 125 | 156.3 | -73.7 | -172.9 | -10.9 | 0 | 0 | 123.9 | ||||
| 847 | A | 28 | Very low | 29.3 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | 84.3 | 117.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 848 | H | 28.6 | Very low | 29.3 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | 79.9 | 136 | 136 | -86 | -79.9 | 0 | 0 | 0 | 127.6 | ||||
| 849 | S | 26.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 62.5 | 129.9 | 158 | 45.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 850 | E | 26.4 | Very low | 29.6 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | cis | 82.2 | 134.1 | 47 | -72.3 | 174.8 | -169 | 0 | 0 | 114 | ||||
| 851 | E | 26.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -156.4 | -153 | -3.4 | -149.8 | -159.1 | -161.7 | 0 | 0 | 111.6 | ||||
| 852 | V | 27.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | 79.6 | 109.9 | 177 | -175.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 853 | T | 25.6 | Very low | 30.4 | Very low | 100 Ų | 100 | 140 Ų | 140 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | cis | 78.4 | 146.2 | 39 | 80.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 854 | T | 25.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -156.3 | -173.9 | -8.5 | 14.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 855 | Y | 24.2 | Very low | 30.1 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | cis | -165.9 | -169.9 | 9.4 | -127.8 | -29.6 | 0 | 0 | 0 | 110.8 | ||||
| 856 | S | 31.5 | Very low | 29.3 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | trans | 80.1 | 128.3 | 150.5 | -175 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 857 | R | 32 | Very low | 29.1 | Very low | 207 Ų | 207 | 134 Ų | 134 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | cis | -162.1 | 142.2 | 2.7 | -121.2 | 178.4 | -174 | -176.2 | 6.3 | 115.1 | ||||
| 858 | K | 30.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 68% | 0.683 | 71% | 0.71 | S | S | * | * | trans | 61.6 | 144.1 | 135.3 | -87.2 | -175.1 | 176 | -170.1 | 0 | 123.2 | ||||
| 859 | N | 33.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | 55.6 | 100.8 | 143.4 | -65.9 | 32.2 | 0 | 0 | 0 | 118.2 | ||||
| 860 | G | 38 | Very low | 28.8 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | 179.1 | 112.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 861 | V | 42.7 | Very low | 29.1 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | trans | 63.9 | 98.2 | 164.2 | -171.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 862 | L | 33.4 | Very low | 29 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | 62.4 | 129.7 | 70.3 | -60.2 | 162.1 | 0 | 0 | 0 | 112.1 | |||||
| 863 | H | 33.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | cis | -88.5 | 154.4 | -16.6 | -77.9 | -112.6 | 0 | 0 | 0 | 108.2 | E865 | H863-E865 HydrophobicContact CB-CB 4.17Å; H863-E865 IonicContact CE1-OE2 3.48Å; H863-E865 PolarHBondContact CE1-OE2 2.93Å; H863-E865 IonicContact ND1-OE2 2.7Å; H863-E865 PolarHBondContact ND1-OE2 2.78Å | ||
| 864 | A | 25.4 | Very low | 28.9 | Very low | 79 Ų | 79 | 113.7 Ų | 113.7 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | cis | 60.2 | -171.9 | 43 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 865 | E | 23.6 | Very low | 28.9 | Very low | 137 Ų | 137 | 112.6 Ų | 112.6 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | trans | 28.9 | 112.7 | 143.4 | -71.2 | 147.7 | -134.7 | 0 | 0 | 117.4 | H863 | H863-E865 HydrophobicContact CB-CB 4.17Å; H863-E865 IonicContact CE1-OE2 3.48Å; H863-E865 PolarHBondContact CE1-OE2 2.93Å; H863-E865 IonicContact ND1-OE2 2.7Å; H863-E865 PolarHBondContact ND1-OE2 2.78Å | ||
| 866 | T | 24.8 | Very low | 29 | Very low | 75 Ų | 75 | 104.8 Ų | 104.8 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | cis | -142.1 | 132.9 | 10.7 | 30.2 | 0 | 0 | 0 | 0 | 109.6 | E868 | T866-E868 PolarHBondContact O-N 2.89Š| ||
| 867 | E | 23.2 | Very low | 28.7 | Very low | 187 Ų | 187 | 110.4 Ų | 110.4 | 87% | 0.874 | 57% | 0.565 | S | S | * | * | 52.6 | -84.3 | 100.8 | -49.4 | 169.1 | 143.8 | 0 | 0 | 110.3 | |||||
| 868 | E | 24.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | trans | -47.7 | 127.7 | -164.9 | -73.5 | -163 | 129 | 0 | 0 | 116.2 | T866 R870 | T866-E868 PolarHBondContact O-N 2.89Å; E868-R870 IonicContact OE1-NH1 2.7Å; E868-R870 PolarHBondContact OE1-NH1 2.82Å | ||
| 869 | D | 27 | Very low | 28.4 | Very low | 95 Ų | 95 | 101.1 Ų | 101.1 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | cis | -171.3 | -154.5 | -4.7 | -144.3 | -20.5 | 0 | 0 | 0 | 112.9 | ||||
| 870 | R | 25.3 | Very low | 28.1 | Very low | 137 Ų | 137 | 95.9 Ų | 95.9 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | 28.5 | 137.7 | 127.8 | -64.8 | 156.2 | -179.7 | 129.2 | -0.6 | 117.1 | E868 | E868-R870 IonicContact OE1-NH1 2.7Å; E868-R870 PolarHBondContact OE1-NH1 2.82Å | |||
| 871 | I | 31.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | cis | -145 | 133 | 19.1 | -122.7 | 149.5 | 0 | 0 | 0 | 107 | R200 | R200-I871 VanDerWaalsContact NH1-CG2 3.31Š| ||
| 872 | D | 24.3 | Very low | 26.9 | Very low | 56 Ų | 56 | 98.6 Ų | 98.6 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | 65.2 | 177 | 52 | -67.3 | -39.4 | 0 | 0 | 0 | 113.6 | R200 E201 | R200-D872 WeakPolarHBondContact CB-O 3.35Å; R200-D872 WeakPolarHBondContact CD-O 3.35Å; R200-D872 WeakPolarHBondContact CG-O 3.34Å; R200-D872 PolarHBondContact NE-O 2.74Å; R200-D872 PolarHBondContact NH1-O 2.74Å; E201-D872 WeakPolarHBondContact CA-OD1 3.18Å; E201-D872 HydrophobicContact CB-CB 3.66Å; E201-D872 VanDerWaalsContact CB-OD1 3.23Å; E201-D872 WeakPolarHBondContact CB-OD1 3.47Å; E201-D872 VanDerWaalsContact CD-CB 3.41Å; E201-D872 HydrophobicContact CG-CB 3.93Å; E201-D872 WeakPolarHBondContact CG-OD1 3.45Å | |||
| 873 | Y | 26.6 | Very low | 26.9 | Very low | 7 Ų | 7 | 95.1 Ų | 95.1 | 3% | 0.027 | 51% | 0.511 | C | S | . | . | trans | -58.8 | 154.2 | -161.7 | -68.6 | -38.2 | 0 | 0 | 0 | 115.5 | S83 V197 E198 R200 E201 I202 V245 H246 | S83-Y873 WeakPolarHBondContact OG-CD2 3.46Å; V197-Y873 HydrophobicContact CB-CE2 4.24Å; V197-Y873 HydrophobicContact CG1-CD1 4.41Å; V197-Y873 HydrophobicContact CG1-CD2 4.24Å; V197-Y873 HydrophobicContact CG1-CE1 3.58Å; V197-Y873 HydrophobicContact CG1-CE2 3.37Å; V197-Y873 WeakPolarHBondContact CG1-OH 3.29Å; E198-Y873 VanDerWaalsContact CA-CD1 3.45Å; E198-Y873 HydrophobicContact CB-CD1 3.64Å; E198-Y873 HydrophobicContact CB-CG 4.07Å; E198-Y873 WeakPolarHBondContact O-CD1 3.34Å; E198-Y873 WeakPolarHBondContact O-CE1 3.29Å; R200-Y873 VanDerWaalsContact CZ-C 3.48Å; R200-Y873 PolarHBondContact NH1-O 2.66Å; E201-Y873 VanDerWaalsContact C-CE1 3.41Å; E201-Y873 VanDerWaalsContact CA-CE1 3.44Å; E201-Y873 HydrophobicContact CB-CD1 3.47Å; E201-Y873 VanDerWaalsContact CB-CD1 3.47Å; E201-Y873 HydrophobicContact CB-CD2 3.83Å; E201-Y873 HydrophobicContact CB-CE1 3.3Å; E201-Y873 HydrophobicContact CB-CE2 3.67Å; E201-Y873 HydrophobicContact CB-CG 3.66Å; E201-Y873 HydrophobicContact CG-CD1 4.42Å; E201-Y873 HydrophobicContact CG-CD2 3.91Å; E201-Y873 HydrophobicContact CG-CE1 4.13Å; E201-Y873 HydrophobicContact CG-CE2 3.58Å; E201-Y873 HydrophobicContact CG-CG 4.24Å; E201-Y873 VanDerWaalsContact N-CE1 3.28Å; E201-Y873 PolarHBondContact O-OH 3.07Å; E201-Y873 WeakPolarHBondContact OE2-CB 3.4Å; E201-Y873 WeakPolarHBondContact OE2-CD2 3.17Å; E201-Y873 VanDerWaalsContact OE2-CG 3.24Å; E201-Y873 PolarHBondContact OE2-N 3.15Å; I202-Y873 HydrophobicContact CG1-CE1 3.83Å; I202-Y873 WeakPolarHBondContact CG1-OH 3.44Å; I202-Y873 VanDerWaalsContact N-CE1 3.27Å; I202-Y873 PolarHBondContact N-OH 2.8Å; I202-Y873 VanDerWaalsContact N-OH 3.1Å; V245-Y873 HydrophobicContact CG1-CE2 4.36Å; H246-Y873 AromaticContact CD2-CE2 3.67Å; H246-Y873 AromaticContact CE1-CD2 3.6Å; H246-Y873 AromaticContact CE1-CE2 3.71Å; H246-Y873 AromaticContact NE2-CD2 3.55Å; H246-Y873 AromaticContact NE2-CE2 3.31Å; H246-Y873 VanDerWaalsContact NE2-CE2 3.31Å; H246-Y873 WeakPolarHBondContact NE2-CE2 3.27Å | ||
| 874 | G | 25.9 | Very low | 26.5 | Very low | 8 Ų | 8 | 93.4 Ų | 93.4 | 8% | 0.082 | 52% | 0.518 | C | S | . | . | 80.4 | 146.7 | 129 | 0 | 0 | 0 | 0 | 0 | 116.7 | E198 R200 | E198-G874 PolarHBondContact OE1-N 2.82Å; R200-G874 PolarHBondContact NH1-O 2.79Å; R200-G874 VanDerWaalsContact NH2-N 3.15Å; R200-G874 PolarHBondContact NH2-O 2.91Å | |||
| 875 | D | 25.4 | Very low | 26.6 | Very low | 89 Ų | 89 | 97.1 Ų | 97.1 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | cis | -164.9 | -148.3 | -19.5 | -148.6 | -54.7 | 0 | 0 | 0 | 107.4 | E82 | E82-D875 PolarHBondContact OE1-N 3.09Å; E82-D875 VanDerWaalsContact OE1-N 3.09Å; E82-D875 VanDerWaalsContact OE2-CA 3.24Å; E82-D875 WeakPolarHBondContact OE2-CA 3.36Å; E82-D875 VanDerWaalsContact OE2-CB 3.23Å; E82-D875 WeakPolarHBondContact OE2-CB 3.31Å; E82-D875 PolarHBondContact OE2-N 3.32Å | ||
| 876 | A | 26 | Very low | 26.6 | Very low | 47 Ų | 47 | 97.2 Ų | 97.2 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | trans | 8.5 | 109.1 | 131.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 877 | Y | 26.3 | Very low | 26.9 | Very low | 214 Ų | 214 | 102.7 Ų | 102.7 | 84% | 0.839 | 54% | 0.541 | S | S | * | . | trans | 58.6 | 109.7 | 136 | -66.1 | -86.1 | 0 | 0 | 0 | 118.4 | ||||
| 878 | A | 27.6 | Very low | 27.2 | Very low | 79 Ų | 79 | 98.7 Ų | 98.7 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | 67.3 | 141.9 | 83.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 879 | T | 28 | Very low | 27.3 | Very low | 89 Ų | 89 | 99.6 Ų | 99.6 | 55% | 0.546 | 55% | 0.545 | S | S | . | . | -152.3 | -165.7 | 56.1 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | D159 | D159-T879 WeakPolarHBondContact OD1-CA 3.36Å; D159-T879 VanDerWaalsContact OD1-CB 3.24Å; D159-T879 WeakPolarHBondContact OD1-CB 3.36Å; D159-T879 PolarHBondContact OD1-N 3.33Å | |||
| 880 | A | 27.7 | Very low | 27.1 | Very low | 40 Ų | 40 | 101.3 Ų | 101.3 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | trans | -59.5 | 169.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F882 | A880-F882 HydrophobicContact CB-CE2 4.23Å; A880-F882 HydrophobicContact CB-CZ 4.42Å | ||
| 881 | M | 26 | Very low | 27.2 | Very low | 100 Ų | 100 | 99.1 Ų | 99.1 | 49% | 0.493 | 56% | 0.564 | S | S | . | * | -152.2 | 139.1 | 88.3 | -72.2 | -137.1 | -140.3 | 0 | 0 | 114 | R158 | R158-M881 VanDerWaalsContact CZ-O 3.27Å; R158-M881 PolarHBondContact NE-O 2.86Å; R158-M881 VanDerWaalsContact NH2-C 3.28Å; R158-M881 PolarHBondContact NH2-O 2.76Å | |||
| 882 | F | 28.8 | Very low | 26.9 | Very low | 157 Ų | 157 | 99.8 Ų | 99.8 | 69% | 0.689 | 57% | 0.573 | S | S | * | * | trans | 7.4 | 150.1 | 139.9 | -43.1 | -73 | 0 | 0 | 0 | 120 | S74 A880 | S74-F882 VanDerWaalsContact CB-O 3.22Å; S74-F882 WeakPolarHBondContact CB-O 3.05Å; S74-F882 PolarHBondContact OG-O 2.84Å; A880-F882 HydrophobicContact CB-CE2 4.23Å; A880-F882 HydrophobicContact CB-CZ 4.42Å | ||
| 883 | G | 32.4 | Very low | 26.9 | Very low | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | cis | 141.4 | 168.8 | 2 | 0 | 0 | 0 | 0 | 0 | 113 | S74 | S74-G883 PolarHBondContact OG-N 3.08Š| ||
| 884 | A | 26.6 | Very low | 26.9 | Very low | 91 Ų | 91 | 112.3 Ų | 112.3 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | trans | -174.6 | 141.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 885 | K | 27.2 | Very low | 27 | Very low | 157 Ų | 157 | 115.7 Ų | 115.7 | 68% | 0.683 | 66% | 0.661 | S | S | * | * | cis | -92.4 | 139.8 | 21.5 | -70.9 | -152.3 | 164.2 | -161 | 0 | 114.2 | ||||
| 886 | E | 24.5 | Very low | 27.1 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | 73 | 74.1 | 56.4 | -61.2 | 177.7 | 134.2 | 0 | 0 | 114.1 | |||||
| 887 | Q | 31 | Very low | 27.3 | Very low | 190 Ų | 190 | 121.8 Ų | 121.8 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | trans | -167.9 | 149.7 | 140.5 | -105.2 | 164.6 | 37.8 | 0 | 0 | 109.4 | ||||
| 888 | P | 28.1 | Very low | 27.4 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | -139.5 | -173 | -101 | 38.5 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 889 | T | 27.9 | Very low | 27.3 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 82% | 0.816 | 69% | 0.687 | S | S | * | * | trans | 71.7 | 131.2 | 151.3 | 38.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 890 | V | 22.5 | Very low | 27.2 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | trans | -73.4 | 142 | 162.1 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 891 | S | 26.2 | Very low | 27.2 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | 63 | 134.4 | 156.4 | 69.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 892 | T | 26.3 | Very low | 27.2 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | 55.4 | 116 | 141.8 | 54.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 893 | Y | 23.6 | Very low | 27.1 | Very low | 219 Ų | 219 | 126.8 Ų | 126.8 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | -140.1 | 148 | 90.1 | -114.6 | -85.9 | 0 | 0 | 0 | 111.1 | |||||
| 894 | S | 27.5 | Very low | 26.8 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 39.8 | 125.7 | 159.3 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 895 | A | 27 | Very low | 26.7 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | cis | -167.9 | 154.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 896 | T | 27.2 | Very low | 26.7 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 52.1 | 145.3 | 141.5 | 52.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 897 | I | 30.8 | Very low | 27.3 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | 76.4 | 128.3 | 144.5 | -76 | 163.9 | 0 | 0 | 0 | 114.7 | ||||
| 898 | D | 28.5 | Very low | 27.2 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | cis | -152 | 174.3 | 3.5 | -135.5 | -21.7 | 0 | 0 | 0 | 116.1 | ||||
| 899 | K | 25.1 | Very low | 27 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -74.6 | -179.5 | 156 | -68.2 | 176.9 | 159.5 | -171.3 | 0 | 111.7 | ||||
| 900 | D | 27.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 78.3 | 141.5 | 149.6 | -59 | -24.7 | 0 | 0 | 0 | 120.2 | ||||
| 901 | S | 26.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 70.8 | 113.7 | 141.9 | 66.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 902 | S | 26.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 60.3 | 134.3 | 123.6 | 68 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 903 | D | 26.1 | Very low | 27.8 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 42.6 | 123.6 | 140.5 | -62.6 | -30.2 | 0 | 0 | 0 | 120.8 | Y905 | D903-Y905 PolarHBondContact O-N 2.95Š| ||
| 904 | G | 25.9 | Very low | 28.1 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -70.1 | 110.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 905 | Y | 25.1 | Very low | 28.1 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -91.5 | 108.9 | 146.6 | -87.2 | -87.8 | 0 | 0 | 0 | 109.5 | D903 | D903-Y905 PolarHBondContact O-N 2.95Š| ||
| 906 | A | 27.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -62 | 139.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 907 | T | 37.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | S | Bend | cis | -145.3 | 122.9 | 12 | -41.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 908 | V | 27.6 | Very low | 28.1 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 30.1 | 84.5 | 172.9 | -168.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 909 | N | 24.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 68.9 | 112.5 | 172.9 | -69.6 | -45.8 | 0 | 0 | 0 | 118.9 | ||||
| 910 | R | 29.5 | Very low | 28.2 | Very low | 246 Ų | 246 | 143.4 Ų | 143.4 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -172.9 | 126.1 | 137.9 | -105.6 | 160.1 | -163.7 | -158.2 | 4.7 | 116.9 | ||||
| 911 | S | 29.9 | Very low | 28.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | 69.3 | 112.8 | 139.4 | 58.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 912 | A | 29.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | 108.9 | 141.2 | 119.3 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 913 | H | 30.1 | Very low | 28.4 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -91 | 152 | -166.1 | -62.7 | -88.1 | 0 | 0 | 0 | 118.6 | ||||
| 914 | R | 30.3 | Very low | 28.4 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | 161.5 | 128.9 | 126.3 | -91.3 | 179.4 | 174.9 | -162.8 | -1.5 | 110.8 | |||||
| 915 | M | 28 | Very low | 28.6 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | 84.7 | 118.1 | 63.4 | -76.4 | -107.8 | -69.5 | 0 | 0 | 116.3 | |||||
| 916 | G | 28.9 | Very low | 28.7 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 155.7 | 144.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 917 | S | 27.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -149.3 | 164.2 | -172.9 | -47.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 918 | N | 28.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 102.6 | 162.6 | 159.4 | -59.8 | -9.1 | 0 | 0 | 0 | 120 | ||||
| 919 | N | 29.7 | Very low | 28.5 | Very low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -110.6 | 157.7 | -152.1 | -46.1 | -58 | 0 | 0 | 0 | 116 | ||||
| 920 | L | 26.7 | Very low | 28.6 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | 154.4 | 121.9 | 122.4 | -88.7 | 153.1 | 0 | 0 | 0 | 116.8 | |||||
| 921 | Q | 26.1 | Very low | 28.5 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | trans | 19.9 | 157.4 | 150.4 | -77.9 | 173.7 | -26.6 | 0 | 0 | 127.2 | ||||
| 922 | T | 26.9 | Very low | 28.4 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | 105.3 | 135.8 | 147.1 | 14.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 923 | E | 29.9 | Very low | 28.4 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 66.9 | 164.7 | 167.8 | -61.1 | -160.2 | 163.3 | 0 | 0 | 121 | ||||
| 924 | A | 26.5 | Very low | 28.3 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 144.6 | -151 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 925 | T | 31.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -173.1 | 145.7 | 136.3 | 12.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 926 | S | 26.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -6.6 | 135.1 | 151.8 | -168.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 927 | T | 31.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | cis | -178.5 | 152.8 | 41.1 | -6.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 928 | R | 28 | Very low | 28.2 | Very low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -172.1 | 157.6 | -9.5 | -123.1 | -177.5 | -161.2 | 175.7 | 1.3 | 107.3 | ||
| 929 | P | 29.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -91.5 | 150.7 | -22.6 | 36.3 | -29.9 | 0 | 0 | 0 | 111 | ||
| 930 | H | 26.4 | Very low | 28.2 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | trans | -132.8 | 130.1 | -165.9 | -90.8 | -108.8 | 0 | 0 | 0 | 114.6 | ||||
| 931 | L | 28 | Very low | 29 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | 56.4 | -174.7 | 138.6 | -76.6 | 166.9 | 0 | 0 | 0 | 120.3 | ||||
| 932 | S | 27.7 | Very low | 29.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -152.1 | 158.2 | -140.8 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 933 | A | 27.6 | Very low | 29.8 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 40.9 | 124.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 934 | E | 28.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | 62.8 | 134.5 | 138.7 | -64.7 | -151.6 | 136.3 | 0 | 0 | 125.9 | ||||
| 935 | N | 30 | Very low | 30 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | 68.9 | 106.7 | 140 | -83.2 | -50.2 | 0 | 0 | 0 | 123.3 | ||||
| 936 | K | 26 | Very low | 30.1 | Very low | 199 Ų | 199 | 142 Ų | 142 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | 178.5 | 177.4 | 110.5 | -99.6 | 176.1 | -179.6 | 177.4 | 0 | 115.9 | |||||
| 937 | Q | 27.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -92 | 163.7 | -158.8 | -61.1 | 158.1 | -81.1 | 0 | 0 | 117.2 | ||||
| 938 | T | 28.7 | Very low | 30.5 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -9.2 | 117.7 | 154.6 | 52.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 939 | S | 29.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | 73.8 | 153.8 | 84.4 | 79.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 940 | L | 29.6 | Very low | 30.7 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | cis | -152.6 | -159.8 | 14.9 | -138.4 | 173.5 | 0 | 0 | 0 | 110.8 | ||||
| 941 | M | 43.5 | Very low | 30.9 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -92.8 | 156.6 | -175.4 | -70 | -178.5 | 167.1 | 0 | 0 | 115.4 | ||||
| 942 | P | 36.4 | Very low | 31 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | -138.1 | -171.7 | 122.1 | 43.7 | -33.2 | 0 | 0 | 0 | 110.9 | |||||
| 943 | R | 33.4 | Very low | 31.1 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | cis | -150.4 | 176.8 | 11.4 | -92 | -162.7 | -176.9 | 141.1 | 6.1 | 109.1 | ||||
| 944 | S | 31.2 | Very low | 31.1 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 50% | 0.497 | 76% | 0.763 | S | S | . | * | 173.8 | 91.4 | -51 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 945 | D | 28.5 | Very low | 31 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -81 | 118.2 | 152 | -68.6 | -21.4 | 0 | 0 | 0 | 105.8 | ||
| 946 | D | 32.4 | Very low | 30.8 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | S | Bend | cis | -124.7 | 163.7 | 3.2 | -103.4 | -52.7 | 0 | 0 | 0 | 111.1 | ||
| 947 | G | 27 | Very low | 30.8 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | 95.1 | 112.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 948 | P | 41.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -115.4 | 164.6 | -177.6 | 40.3 | -32.8 | 0 | 0 | 0 | 116.5 | ||||
| 949 | A | 28.9 | Very low | 30.8 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 122.6 | 133.3 | 131 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 950 | M | 32.6 | Very low | 30.7 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | 67.1 | 151.5 | 155.8 | -50.5 | -87.5 | -84 | 0 | 0 | 118.3 | ||||
| 951 | G | 30.5 | Very low | 30.7 | Very low | 59 Ų | 59 | 129.9 Ų | 129.9 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | 169.4 | 128.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 952 | D | 30.4 | Very low | 30 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 58.1 | 141.7 | 140.7 | -50.7 | -33.5 | 0 | 0 | 0 | 125.8 | ||||
| 953 | E | 28.6 | Very low | 29.5 | Very low | 184 Ų | 184 | 130 Ų | 130 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 52.1 | 134.7 | 147.2 | -64 | -179 | 164.8 | 0 | 0 | 121.9 | ||||
| 954 | A | 27.6 | Very low | 29.3 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | cis | 96.3 | 125.1 | 29 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 955 | S | 26.7 | Very low | 29 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -178.4 | 129.5 | 157.7 | 26.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 956 | L | 27 | Very low | 28.9 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | 62.6 | 119.1 | 128.4 | -66.7 | 165.8 | 0 | 0 | 0 | 126.6 | |||||
| 957 | S | 24.8 | Very low | 28.6 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 69.2 | 109.4 | 123.3 | 72.8 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 958 | T | 28.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | 17.7 | 124.8 | 127.8 | 57.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 959 | N | 27.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | -176.7 | -178.7 | 104.5 | -106.9 | -26.7 | 0 | 0 | 0 | 113.6 | |||||
| 960 | S | 29.2 | Very low | 28.3 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -113.6 | 158.9 | -160.9 | 56.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 961 | N | 29.2 | Very low | 28 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -170.5 | 177 | 139.7 | -111.3 | -58 | 0 | 0 | 0 | 116.6 | ||||
| 962 | K | 27.7 | Very low | 28 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 162.2 | -162.2 | -67.4 | 173.9 | 175.5 | 179.9 | 0 | 120.1 | ||||
| 963 | S | 27 | Very low | 27.9 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -31.5 | 145.5 | 160.3 | 54 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 964 | E | 28.1 | Very low | 28.1 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | -169.5 | -155.7 | 116 | -106.8 | -179.9 | -161 | 0 | 0 | 113.2 | |||||
| 965 | S | 25.5 | Very low | 28 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -119.4 | -172.8 | -144 | 70.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 966 | F | 26.8 | Very low | 28 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -73.9 | 146.4 | -165.4 | -95.4 | -102.1 | 0 | 0 | 0 | 117.1 | ||||
| 967 | S | 26.8 | Very low | 28 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 160.1 | 156.9 | 130.8 | -78.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 968 | R | 28.1 | Very low | 28 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | cis | -167 | 161.7 | -31.5 | -166.6 | 175.6 | -166.6 | 171.3 | 9.2 | 108.1 | ||||
| 969 | H | 32.2 | Very low | 27.8 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 73% | 0.731 | 79% | 0.788 | S | S | * | * | trans | 81.6 | 149.6 | 174.7 | -53.1 | -75.8 | 0 | 0 | 0 | 115.5 | ||||
| 970 | Q | 29.1 | Very low | 27.8 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | cis | -150.7 | 146.4 | 13 | -147.7 | 172.4 | 16.4 | 0 | 0 | 114.4 | ||||
| 971 | A | 27.2 | Very low | 27.6 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 69 | 142.8 | 150 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 972 | S | 29.6 | Very low | 27.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 70 | 100 | 146.1 | 40.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 973 | Q | 28.2 | Very low | 27.4 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -48.2 | 179.5 | 135 | -96.9 | -176.9 | -3.5 | 0 | 0 | 115.3 | ||||
| 974 | P | 33.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -141.7 | -167.1 | -19.8 | 36.3 | -15.1 | 0 | 0 | 0 | 115.5 | ||||
| 975 | A | 25.5 | Very low | 27.3 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 128.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 976 | A | 25.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | cis | 75.1 | 137.6 | 47.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 977 | V | 27.1 | Very low | 27.4 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -135.3 | 148.3 | 32 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 978 | P | 26.2 | Very low | 27.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -85.1 | 159.5 | 179.7 | 34.8 | -36.8 | 0 | 0 | 0 | 114.4 | ||||
| 979 | A | 22.6 | Very low | 27.8 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -102.5 | 137.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 980 | G | 28.8 | Very low | 28.5 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | -165.1 | 93.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 981 | T | 25 | Very low | 29.3 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -74 | -176.6 | 164.1 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 982 | D | 26.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 70.2 | 62.1 | 161.9 | -46.9 | -48.5 | 0 | 0 | 0 | 115.3 | S984 | D982-S984 PolarHBondContact O-N 3Š| ||
| 983 | G | 26.3 | Very low | 31.6 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | trans | -61.6 | 55.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 984 | S | 25.5 | Very low | 32.6 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -58.1 | 133.9 | 161.3 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | D982 K986 | D982-S984 PolarHBondContact O-N 3Å; S984-K986 PolarHBondContact O-N 2.59Å | ||
| 985 | N | 27.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 113.1 Ų | 113.1 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -70.3 | 75.6 | 177.1 | -98.3 | -18.7 | 0 | 0 | 0 | 110.6 | Q987 | N985-Q987 PolarHBondContact O-N 2.73Š| ||
| 986 | K | 24.7 | Very low | 34.3 | Very low | 176 Ų | 176 | 114.7 Ų | 114.7 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | -69.4 | 90.5 | 156.4 | -71.8 | -176 | 179.6 | 178 | 0 | 107.3 | S984 E988 | S984-K986 PolarHBondContact O-N 2.59Å; K986-E988 PolarHBondContact O-N 2.96Å; K986-E988 VanDerWaalsContact O-N 3.12Å | ||
| 987 | Q | 27.8 | Very low | 34.8 | Very low | 182 Ų | 182 | 113 Ų | 113 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | trans | -54.7 | 116.2 | 148.7 | -71.6 | 179.9 | -49.7 | 0 | 0 | 106.2 | N985 | N985-Q987 PolarHBondContact O-N 2.73Š| ||
| 988 | E | 31.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 109.9 Ų | 109.9 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -55.7 | 133.4 | 162.4 | -64.6 | -173.2 | 135.5 | 0 | 0 | 106.9 | K986 I990 | K986-E988 PolarHBondContact O-N 2.96Å; K986-E988 VanDerWaalsContact O-N 3.12Å; E988-I990 PolarHBondContact O-N 3.49Å | ||
| 989 | P | 32.5 | Very low | 36.1 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 71% | 0.714 | 61% | 0.613 | S | S | * | * | trans | -62.5 | 107.6 | 177.7 | 25.7 | -32.5 | 0 | 0 | 0 | 107.7 | N991 | P989-N991 PolarHBondContact O-N 3.45Š| ||
| 990 | I | 46.2 | Very low | 36.6 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 46% | 0.456 | 57% | 0.571 | S | S | . | * | trans | -58.9 | 113.1 | 167.9 | -56.4 | 177.8 | 0 | 0 | 0 | 104.8 | E988 I992 F1005 | E988-I990 PolarHBondContact O-N 3.49Å; I990-I992 HydrophobicContact CB-CG1 4.25Å; I990-I992 HydrophobicContact CG2-CD1 4.42Å; I990-I992 HydrophobicContact CG2-CG1 3.79Å; I990-I992 PolarHBondContact O-N 3.07Å; I990-F1005 HydrophobicContact CG2-CB 4.15Å; I990-F1005 HydrophobicContact CG2-CD2 4.28Å | ||
| 991 | N | 47.5 | Very low | 37.7 | Very low | 141 Ų | 141 | 101.1 Ų | 101.1 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | trans | -68.9 | 86.8 | 175.5 | -85.9 | -23.6 | 0 | 0 | 0 | 108.2 | P989 S993 | P989-N991 PolarHBondContact O-N 3.45Å; N991-S993 PolarHBondContact O-N 2.95Å | ||
| 992 | I | 52.2 | Low | 38.7 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | trans | -87.2 | 86.6 | 169.2 | -56.1 | 175.5 | 0 | 0 | 0 | 106.3 | I990 V994 V1003 H1004 F1005 | I990-I992 HydrophobicContact CB-CG1 4.25Å; I990-I992 HydrophobicContact CG2-CD1 4.42Å; I990-I992 HydrophobicContact CG2-CG1 3.79Å; I990-I992 PolarHBondContact O-N 3.07Å; I992-V994 HydrophobicContact CG2-CG2 4.1Å; I992-V1003 HydrophobicContact CG2-CG1 3.77Å; I992-H1004 VanDerWaalsContact CA-O 3.29Å; I992-H1004 WeakPolarHBondContact CA-O 3.21Å; I992-F1005 HydrophobicContact CG1-CB 4.23Å | ||
| 993 | S | 51.3 | Low | 40 | Very low | 46 Ų | 46 | 91.4 Ų | 91.4 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.7 | 164.6 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | N991 E995 H1004 | N991-S993 PolarHBondContact O-N 2.95Å; S993-E995 PolarHBondContact OG-OE1 2.83Å; S993-H1004 PolarHBondContact N-O 3.47Å; S993-H1004 PolarHBondContact O-N 3.11Å; S993-H1004 WeakPolarHBondContact OG-CB 3.16Å |
| 994 | V | 49.9 | Very low | 41.2 | Very low | 81 Ų | 81 | 90.6 Ų | 90.6 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 97.3 | 166.4 | -174.1 | 0 | 0 | 0 | 0 | 106.1 | I992 Y1001 V1002 V1003 | I992-V994 HydrophobicContact CG2-CG2 4.1Å; V994-Y1001 HydrophobicContact CG1-CD1 4.1Å; V994-Y1001 HydrophobicContact CG1-CG 4.48Å; V994-V1002 WeakPolarHBondContact CA-O 3.41Å; V994-V1003 HydrophobicContact CG2-CG2 4.32Å |
| 995 | E | 50.1 | Low | 42.9 | Very low | 95 Ų | 95 | 89.1 Ų | 89.1 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.4 | 178.9 | -64.5 | 177 | -157.8 | 0 | 0 | 108.4 | S993 E997 N1000 V1002 | S993-E995 PolarHBondContact OG-OE1 2.83Å; E995-E997 PolarHBondContact O-N 3.01Å; E995-N1000 VanDerWaalsContact O-O 3.13Å; E995-V1002 HydrophobicContact CB-CB 4.2Å; E995-V1002 PolarHBondContact N-O 2.81Å; E995-V1002 VanDerWaalsContact N-O 3.07Å; E995-V1002 VanDerWaalsContact O-CB 3.28Å; E995-V1002 WeakPolarHBondContact O-CB 3.37Å; E995-V1002 VanDerWaalsContact O-CG2 3.24Å; E995-V1002 WeakPolarHBondContact O-CG2 3.26Å; E995-V1002 PolarHBondContact O-N 2.86Å |
| 996 | E | 45.8 | Very low | 44 | Very low | 124 Ų | 124 | 87.1 Ų | 87.1 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 77.7 | 173 | -166.1 | -175 | 132.8 | 0 | 0 | 109.1 | E998 N1000 Y1001 | E996-E998 PolarHBondContact O-N 2.83Å; E996-N1000 WeakPolarHBondContact CA-O 3.35Å; E996-Y1001 HydrophobicContact CB-CD1 4.19Å; E996-Y1001 HydrophobicContact CB-CE1 3.93Å; E996-Y1001 HydrophobicContact CG-CD1 4.12Å; E996-Y1001 HydrophobicContact CG-CE1 3.64Å; E996-Y1001 WeakPolarHBondContact OE2-CE1 2.93Å; E996-Y1001 VanDerWaalsContact OE2-CZ 3.28Å; E996-Y1001 PolarHBondContact OE2-OH 2.83Å |
| 997 | E | 34.8 | Very low | 45.1 | Very low | 58 Ų | 58 | 80.8 Ų | 80.8 | 27% | 0.271 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118 | 165.2 | -83.4 | -144 | 123.8 | 0 | 0 | 109 | K551 E995 G999 N1000 V1002 | K551-E997 WeakPolarHBondContact CD-OE2 3.42Å; K551-E997 IonicContact NZ-OE1 3.86Å; K551-E997 PolarHBondContact NZ-OE1 2.83Å; K551-E997 IonicContact NZ-OE2 3.74Å; E995-E997 PolarHBondContact O-N 3.01Å; E997-G999 VanDerWaalsContact C-N 3.29Å; E997-G999 PolarHBondContact O-N 2.75Å; E997-N1000 PolarHBondContact N-O 2.82Å; E997-N1000 WeakPolarHBondContact O-CA 3.48Å; E997-N1000 WeakPolarHBondContact O-CB 3.35Å; E997-N1000 VanDerWaalsContact O-CG 3.27Å; E997-N1000 PolarHBondContact O-N 2.87Å; E997-N1000 PolarHBondContact O-ND2 2.82Å; E997-N1000 VanDerWaalsContact O-ND2 3.15Å; E997-V1002 HydrophobicContact CB-CG2 4.07Å |
| 998 | E | 37.1 | Very low | 46.5 | Very low | 68 Ų | 68 | 76.3 Ų | 76.3 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 24.2 | 161.1 | -58.7 | -120.7 | 119.1 | 0 | 0 | 115.4 | R558 E996 N1000 | R558-E998 WeakPolarHBondContact CD-OE2 3.29Å; R558-E998 HydrophobicContact CG-CB 3.78Å; R558-E998 VanDerWaalsContact CZ-CB 3.45Å; R558-E998 VanDerWaalsContact CZ-O 3.24Å; R558-E998 IonicContact CZ-OE1 3.95Å; R558-E998 IonicContact CZ-OE2 2.89Å; R558-E998 PolarHBondContact NE-O 2.82Å; R558-E998 IonicContact NE-OE2 2.61Å; R558-E998 IonicContact NH1-OE1 3.4Å; R558-E998 PolarHBondContact NH1-OE1 3.27Å; R558-E998 IonicContact NH1-OE2 3.31Å; R558-E998 PolarHBondContact NH1-OE2 3.03Å; R558-E998 PolarHBondContact NH2-O 2.82Å; R558-E998 VanDerWaalsContact NH2-O 3.17Å; E996-E998 PolarHBondContact O-N 2.83Å; E998-N1000 VanDerWaalsContact C-N 3.33Å |
| 999 | G | 44.5 | Very low | 47.5 | Very low | 23 Ų | 23 | 73.4 Ų | 73.4 | 24% | 0.237 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q556 E997 | Q556-G999 WeakPolarHBondContact CG-O 3.28Å; Q556-G999 PolarHBondContact NE2-O 3.41Å; E997-G999 VanDerWaalsContact C-N 3.29Å; E997-G999 PolarHBondContact O-N 2.75Å |
| 1000 | N | 33.5 | Very low | 48.9 | Very low | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.2 | -177.4 | -40.6 | -40.1 | 0 | 0 | 0 | 108.1 | G554 Q556 E995 E996 E997 E998 V1002 | G554-N1000 CarbonylContact O-C 3.51Å; G554-N1000 WeakPolarHBondContact O-CA 3.29Å; G554-N1000 WeakPolarHBondContact O-CB 3.44Å; Q556-N1000 WeakPolarHBondContact CA-OD1 3.3Å; Q556-N1000 HydrophobicContact CB-CB 4.49Å; Q556-N1000 WeakPolarHBondContact CB-OD1 3.14Å; Q556-N1000 VanDerWaalsContact CG-OD1 3.29Å; Q556-N1000 WeakPolarHBondContact CG-OD1 3.31Å; E995-N1000 VanDerWaalsContact O-O 3.13Å; E996-N1000 WeakPolarHBondContact CA-O 3.35Å; E997-N1000 PolarHBondContact N-O 2.82Å; E997-N1000 WeakPolarHBondContact O-CA 3.48Å; E997-N1000 WeakPolarHBondContact O-CB 3.35Å; E997-N1000 VanDerWaalsContact O-CG 3.27Å; E997-N1000 PolarHBondContact O-N 2.87Å; E997-N1000 PolarHBondContact O-ND2 2.82Å; E997-N1000 VanDerWaalsContact O-ND2 3.15Å; E998-N1000 VanDerWaalsContact C-N 3.33Å; N1000-V1002 PolarHBondContact O-N 3.32Å; N1000-V1002 VanDerWaalsContact O-N 3.11Å |
| 1001 | Y | 51.1 | Low | 49.2 | Very low | 97 Ų | 97 | 67.1 Ų | 67.1 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 86.8 | 177.4 | -66.6 | -67.4 | 0 | 0 | 0 | 112.6 | G554 V555 V994 E996 V1003 | G554-Y1001 CarbonylContact O-C 3.59Å; G554-Y1001 PolarHBondContact O-N 2.53Å; V555-Y1001 VanDerWaalsContact CB-O 3.27Å; V555-Y1001 WeakPolarHBondContact CB-O 3.42Å; V555-Y1001 HydrophobicContact CG1-CD2 4.31Å; V555-Y1001 WeakPolarHBondContact CG2-O 3.3Å; V994-Y1001 HydrophobicContact CG1-CD1 4.1Å; V994-Y1001 HydrophobicContact CG1-CG 4.48Å; E996-Y1001 HydrophobicContact CB-CD1 4.19Å; E996-Y1001 HydrophobicContact CB-CE1 3.93Å; E996-Y1001 HydrophobicContact CG-CD1 4.12Å; E996-Y1001 HydrophobicContact CG-CE1 3.64Å; E996-Y1001 WeakPolarHBondContact OE2-CE1 2.93Å; E996-Y1001 VanDerWaalsContact OE2-CZ 3.28Å; E996-Y1001 PolarHBondContact OE2-OH 2.83Å; Y1001-V1003 PolarHBondContact O-N 3.23Å |
| 1002 | V | 45.9 | Very low | 49.7 | Very low | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 94.3 | -177.4 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | F553 G554 V994 E995 E997 N1000 H1004 | F553-V1002 HydrophobicContact CB-CB 4.21Å; F553-V1002 HydrophobicContact CB-CG1 3.51Å; F553-V1002 HydrophobicContact CB-CG2 3.62Å; F553-V1002 HydrophobicContact CD1-CG1 3.76Å; F553-V1002 HydrophobicContact CG-CG1 4.03Å; G554-V1002 PolarHBondContact O-N 3.39Å; V994-V1002 WeakPolarHBondContact CA-O 3.41Å; E995-V1002 HydrophobicContact CB-CB 4.2Å; E995-V1002 PolarHBondContact N-O 2.81Å; E995-V1002 VanDerWaalsContact N-O 3.07Å; E995-V1002 VanDerWaalsContact O-CB 3.28Å; E995-V1002 WeakPolarHBondContact O-CB 3.37Å; E995-V1002 VanDerWaalsContact O-CG2 3.24Å; E995-V1002 WeakPolarHBondContact O-CG2 3.26Å; E995-V1002 PolarHBondContact O-N 2.86Å; E997-V1002 HydrophobicContact CB-CG2 4.07Å; N1000-V1002 PolarHBondContact O-N 3.32Å; N1000-V1002 VanDerWaalsContact O-N 3.11Å; V1002-H1004 WeakPolarHBondContact CG1-CD2 3.39Å; V1002-H1004 WeakPolarHBondContact CG1-NE2 3.49Å; V1002-H1004 PolarHBondContact O-N 2.57Å; V1002-H1004 VanDerWaalsContact O-N 3.08Å |
| 1003 | V | 53.1 | Low | 49.9 | Very low | 45 Ų | 45 | 62.4 Ų | 62.4 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 89.4 | 172.6 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | I992 V994 Y1001 | I992-V1003 HydrophobicContact CG2-CG1 3.77Å; V994-V1003 HydrophobicContact CG2-CG2 4.32Å; Y1001-V1003 PolarHBondContact O-N 3.23Å |
| 1004 | H | 52.8 | Low | 49.9 | Very low | 68 Ų | 68 | 65.8 Ų | 65.8 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126.7 | 166 | -79.1 | -91.5 | 0 | 0 | 0 | 109.7 | F553 I992 S993 V1002 | F553-H1004 AromaticContact CD1-CE1 3.59Å; F553-H1004 AromaticContact CD1-NE2 3.54Å; F553-H1004 AromaticContact CE1-CE1 3.33Å; F553-H1004 WeakPolarHBondContact CE1-CE1 3.47Å; F553-H1004 AromaticContact CE1-NE2 3.77Å; I992-H1004 VanDerWaalsContact CA-O 3.29Å; I992-H1004 WeakPolarHBondContact CA-O 3.21Å; S993-H1004 PolarHBondContact N-O 3.47Å; S993-H1004 PolarHBondContact O-N 3.11Å; S993-H1004 WeakPolarHBondContact OG-CB 3.16Å; V1002-H1004 WeakPolarHBondContact CG1-CD2 3.39Å; V1002-H1004 WeakPolarHBondContact CG1-NE2 3.49Å; V1002-H1004 PolarHBondContact O-N 2.57Å; V1002-H1004 VanDerWaalsContact O-N 3.08Å |
| 1005 | F | 60.1 | Low | 50.4 | Low | 46 Ų | 46 | 63.1 Ų | 63.1 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | trans | -144.9 | 147 | 159.4 | 91.4 | -69.3 | 0 | 0 | 0 | 109.6 | I990 I992 P1007 Y1013 V1015 L1031 | I990-F1005 HydrophobicContact CG2-CB 4.15Å; I990-F1005 HydrophobicContact CG2-CD2 4.28Å; I992-F1005 HydrophobicContact CG1-CB 4.23Å; F1005-P1007 HydrophobicContact CE2-CB 3.9Å; F1005-P1007 HydrophobicContact CE2-CG 4.09Å; F1005-P1007 HydrophobicContact CZ-CG 4.33Å; F1005-Y1013 HydrophobicContact CE2-CD1 4.28Å; F1005-Y1013 HydrophobicContact CE2-CG 4.36Å; F1005-V1015 HydrophobicContact CE1-CG2 3.92Å; F1005-V1015 HydrophobicContact CZ-CG2 3.9Å; F1005-L1031 HydrophobicContact CE1-CD1 3.53Å; F1005-L1031 HydrophobicContact CZ-CD1 3.61Å | ||
| 1006 | V | 52.5 | Low | 50.6 | Low | 127 Ų | 127 | 68.1 Ų | 68.1 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | trans | -115.2 | 110.6 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | S1008 | V1006-S1008 PolarHBondContact O-N 2.82Š| ||
| 1007 | P | 47.7 | Very low | 51.3 | Low | 42 Ų | 42 | 64.6 Ų | 64.6 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -67.5 | 115.2 | 175.2 | 25.3 | -30.6 | 0 | 0 | 0 | 109.8 | F1005 T1009 Y1013 V1033 | F1005-P1007 HydrophobicContact CE2-CB 3.9Å; F1005-P1007 HydrophobicContact CE2-CG 4.09Å; F1005-P1007 HydrophobicContact CZ-CG 4.33Å; P1007-T1009 PolarHBondContact O-N 2.83Å; P1007-Y1013 HydrophobicContact CB-CD2 4.17Å; P1007-Y1013 HydrophobicContact CB-CE1 4.25Å; P1007-Y1013 HydrophobicContact CB-CE2 3.58Å; P1007-V1033 HydrophobicContact CB-CG1 4.49Å; P1007-V1033 HydrophobicContact CB-CG2 4.11Å; P1007-V1033 HydrophobicContact CG-CG1 4.17Å; P1007-V1033 HydrophobicContact CG-CG2 3.8Å | ||
| 1008 | S | 57 | Low | 52 | Low | 88 Ų | 88 | 65.2 Ų | 65.2 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -76.1 | -7.3 | 178.3 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | V1006 | V1006-S1008 PolarHBondContact O-N 2.82Š|
| 1009 | T | 52.6 | Low | 52.6 | Low | 87 Ų | 87 | 65 Ų | 65 | 53% | 0.534 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -138.3 | 162.4 | -173.8 | 23.5 | 0 | 0 | 0 | 0 | 111 | P1007 Y1013 | P1007-T1009 PolarHBondContact O-N 2.83Å; T1009-Y1013 WeakPolarHBondContact CB-OH 3.4Å; T1009-Y1013 PolarHBondContact N-OH 2.97Å; T1009-Y1013 PolarHBondContact O-OH 3.47Å; T1009-Y1013 PolarHBondContact OG1-OH 2.83Å |
| 1010 | V | 61.3 | Low | 53.2 | Low | 43 Ų | 43 | 72.5 Ų | 72.5 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -98.2 | 130.7 | -175.5 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | V1033 N1035 | V1010-V1033 WeakPolarHBondContact CG1-O 3.46Å; V1010-N1035 HydrophobicContact CG1-CB 4.5Å; V1010-N1035 HydrophobicContact CG2-CB 4.11Å |
| 1011 | G | 52.8 | Low | 54.2 | Low | 24 Ų | 24 | 79.6 Ų | 79.6 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -171 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1033 | G1011-V1033 PolarHBondContact N-O 2.89Å; G1011-V1033 VanDerWaalsContact N-O 3.09Å; G1011-V1033 WeakPolarHBondContact O-CB 3.48Å; G1011-V1033 PolarHBondContact O-N 3.23Å |
| 1012 | I | 56.8 | Low | 53.8 | Low | 93 Ų | 93 | 82.3 Ų | 82.3 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.9 | 178.6 | -49.6 | 178.3 | 0 | 0 | 0 | 109.9 | T1030 | I1012-T1030 HydrophobicContact CG2-CG2 3.49Å; I1012-T1030 VanDerWaalsContact CG2-CG2 3.49Å |
| 1013 | Y | 57.8 | Low | 53.8 | Low | 47 Ų | 47 | 86.4 Ų | 86.4 | 18% | 0.184 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.1 | 173 | -65.3 | -94.8 | 0 | 0 | 0 | 110.3 | F1005 P1007 T1009 T1030 L1031 V1033 | F1005-Y1013 HydrophobicContact CE2-CD1 4.28Å; F1005-Y1013 HydrophobicContact CE2-CG 4.36Å; P1007-Y1013 HydrophobicContact CB-CD2 4.17Å; P1007-Y1013 HydrophobicContact CB-CE1 4.25Å; P1007-Y1013 HydrophobicContact CB-CE2 3.58Å; T1009-Y1013 WeakPolarHBondContact CB-OH 3.4Å; T1009-Y1013 PolarHBondContact N-OH 2.97Å; T1009-Y1013 PolarHBondContact O-OH 3.47Å; T1009-Y1013 PolarHBondContact OG1-OH 2.83Å; Y1013-T1030 CarbonylContact O-C 3.55Å; Y1013-T1030 WeakPolarHBondContact O-CA 3.4Å; Y1013-L1031 PolarHBondContact N-O 3.22Å; Y1013-L1031 PolarHBondContact O-N 2.84Å; Y1013-V1033 HydrophobicContact CD2-CB 4.2Å; Y1013-V1033 HydrophobicContact CD2-CG2 3.57Å; Y1013-V1033 HydrophobicContact CE2-CB 4.11Å; Y1013-V1033 HydrophobicContact CE2-CG2 3.83Å |
| 1014 | K | 51.1 | Low | 54.1 | Low | 116 Ų | 116 | 86.7 Ų | 86.7 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 97.1 | 169.7 | -77.1 | -162.9 | 174.3 | -166.7 | 0 | 109.3 | P1028 T1030 | K1014-P1028 HydrophobicContact CB-CB 3.94Å; K1014-P1028 HydrophobicContact CD-CG 4.32Å; K1014-P1028 HydrophobicContact CG-CB 4.46Å; K1014-T1030 WeakPolarHBondContact CE-OG1 3.27Å; K1014-T1030 HydrophobicContact CG-CG2 4.23Å |
| 1015 | V | 59.4 | Low | 54 | Low | 26 Ų | 26 | 87.1 Ų | 87.1 | 16% | 0.158 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 112.2 | -176.6 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | F1005 F1017 P1028 V1029 L1031 | F1005-V1015 HydrophobicContact CE1-CG2 3.92Å; F1005-V1015 HydrophobicContact CZ-CG2 3.9Å; V1015-F1017 HydrophobicContact CB-CE1 4.24Å; V1015-F1017 HydrophobicContact CG1-CD1 3.93Å; V1015-F1017 HydrophobicContact CG1-CE1 3.87Å; V1015-P1028 WeakPolarHBondContact O-CA 3.42Å; V1015-V1029 PolarHBondContact N-O 2.86Å; V1015-V1029 PolarHBondContact O-N 2.79Å; V1015-L1031 HydrophobicContact CG2-CD1 3.85Å |
| 1016 | R | 54.8 | Low | 53.4 | Low | 199 Ų | 199 | 91.5 Ų | 91.5 | 75% | 0.751 | 49% | 0.489 | S | S | * | . | trans | -95.8 | 145.2 | 175 | -70.7 | -177.9 | 176.4 | 147.1 | -0.7 | 111.1 | S1027 P1028 | R1016-S1027 VanDerWaalsContact CA-OG 3.29Å; R1016-S1027 WeakPolarHBondContact CA-OG 3.47Å; R1016-P1028 HydrophobicContact CG-CB 3.73Å; R1016-P1028 HydrophobicContact CG-CG 4.36Å | ||
| 1017 | F | 61.3 | Low | 53.5 | Low | 50 Ų | 50 | 85.6 Ų | 85.6 | 22% | 0.219 | 45% | 0.454 | C | S | . | . | trans | -152.4 | 141.3 | 172 | 28.8 | -91.1 | 0 | 0 | 0 | 110.3 | V1015 H1024 S1027 V1029 | V1015-F1017 HydrophobicContact CB-CE1 4.24Å; V1015-F1017 HydrophobicContact CG1-CD1 3.93Å; V1015-F1017 HydrophobicContact CG1-CE1 3.87Å; F1017-H1024 HydrophobicContact CD2-CB 3.91Å; F1017-H1024 HydrophobicContact CE2-CB 4.37Å; F1017-H1024 AromaticContact CE2-ND1 3.79Å; F1017-H1024 PolarHBondContact O-N 2.94Å; F1017-H1024 VanDerWaalsContact O-N 3.07Å; F1017-S1027 PolarHBondContact N-OG 2.85Å; F1017-S1027 VanDerWaalsContact O-CB 3.3Å; F1017-S1027 WeakPolarHBondContact O-CB 3.4Å; F1017-S1027 PolarHBondContact O-OG 2.8Å; F1017-S1027 VanDerWaalsContact O-OG 3.09Å; F1017-V1029 HydrophobicContact CE1-CG2 4.3Å; F1017-V1029 HydrophobicContact CZ-CB 4.48Å; F1017-V1029 HydrophobicContact CZ-CG2 3.63Å | ||
| 1018 | S | 48.3 | Very low | 53.3 | Low | 71 Ų | 71 | 84.7 Ų | 84.7 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.8 | -177.9 | 41.3 | 0 | 0 | 0 | 0 | 110.1 | E1022 | S1018-E1022 CarbonylContact C-O 3.55Å; S1018-E1022 WeakPolarHBondContact CA-O 3.23Å; S1018-E1022 WeakPolarHBondContact CB-O 3.49Å |
| 1019 | V | 50.8 | Low | 52.8 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 39% | 0.394 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.2 | 179 | -179.2 | 0 | 0 | 0 | 0 | 107 | D1021 E1022 | V1019-D1021 VanDerWaalsContact C-N 3.31Å; V1019-D1021 PolarHBondContact O-N 3.2Å; V1019-E1022 PolarHBondContact N-O 2.86Å; V1019-E1022 PolarHBondContact O-N 2.89Å |
| 1020 | M | 56.5 | Low | 52.9 | Low | 179 Ų | 179 | 81.9 Ų | 81.9 | 88% | 0.882 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 49.9 | -171.8 | -56.5 | -172.6 | -61.6 | 0 | 0 | 112.5 | E1022 | M1020-E1022 PolarHBondContact O-N 3.39Š|
| 1021 | D | 54.9 | Low | 52.7 | Low | 155 Ų | 155 | 83 Ų | 83 | 83% | 0.829 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -9.9 | -177.5 | -63 | -42 | 0 | 0 | 0 | 117.6 | V1019 | V1019-D1021 VanDerWaalsContact C-N 3.31Å; V1019-D1021 PolarHBondContact O-N 3.2Å |
| 1022 | E | 41.6 | Very low | 52.9 | Low | 153 Ų | 153 | 87.9 Ų | 87.9 | 72% | 0.715 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.4 | 169.6 | -64.7 | -152.3 | 143 | 0 | 0 | 112.1 | S1018 V1019 M1020 H1024 | S1018-E1022 CarbonylContact C-O 3.55Å; S1018-E1022 WeakPolarHBondContact CA-O 3.23Å; S1018-E1022 WeakPolarHBondContact CB-O 3.49Å; V1019-E1022 PolarHBondContact N-O 2.86Å; V1019-E1022 PolarHBondContact O-N 2.89Å; M1020-E1022 PolarHBondContact O-N 3.39Å; E1022-H1024 PolarHBondContact O-N 2.85Å |
| 1023 | P | 46.2 | Very low | 53.3 | Low | 90 Ų | 90 | 85 Ų | 85 | 58% | 0.584 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.1 | -179.2 | 28.7 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 1024 | H | 59.3 | Low | 54.2 | Low | 51 Ų | 51 | 87.1 Ų | 87.1 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 138.9 | 174 | -178.1 | -97.5 | 0 | 0 | 0 | 109.9 | F1017 E1022 Q1026 S1027 | F1017-H1024 HydrophobicContact CD2-CB 3.91Å; F1017-H1024 HydrophobicContact CE2-CB 4.37Å; F1017-H1024 AromaticContact CE2-ND1 3.79Å; F1017-H1024 PolarHBondContact O-N 2.94Å; F1017-H1024 VanDerWaalsContact O-N 3.07Å; E1022-H1024 PolarHBondContact O-N 2.85Å; H1024-Q1026 PolarHBondContact ND1-N 2.87Å; H1024-Q1026 PolarHBondContact O-N 3.31Å; H1024-S1027 WeakPolarHBondContact O-CB 3.5Å; H1024-S1027 PolarHBondContact O-N 2.77Å |
| 1025 | P | 50.5 | Low | 55.3 | Low | 78 Ų | 78 | 84 Ų | 84 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.4 | -171.3 | 17.7 | -32.1 | 0 | 0 | 0 | 115 | ||
| 1026 | Q | 48.1 | Very low | 56 | Low | 137 Ų | 137 | 83.6 Ų | 83.6 | 64% | 0.64 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.1 | 174.1 | -61.6 | -176.4 | -35.1 | 0 | 0 | 114.8 | H1024 P1028 V1029 | H1024-Q1026 PolarHBondContact ND1-N 2.87Å; H1024-Q1026 PolarHBondContact O-N 3.31Å; Q1026-P1028 CarbonylContact O-C 3.5Å; Q1026-V1029 HydrophobicContact CB-CG2 4.35Å; Q1026-V1029 WeakPolarHBondContact O-CG2 3.32Å; Q1026-V1029 PolarHBondContact O-N 2.95Å; Q1026-V1029 VanDerWaalsContact O-N 3.15Å |
| 1027 | S | 53.8 | Low | 57.1 | Low | 4 Ų | 4 | 79.5 Ų | 79.5 | 3% | 0.028 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 121.8 | -172.2 | 140.9 | 0 | 0 | 0 | 0 | 111.7 | R1016 F1017 H1024 Q1655 | R1016-S1027 VanDerWaalsContact CA-OG 3.29Å; R1016-S1027 WeakPolarHBondContact CA-OG 3.47Å; F1017-S1027 PolarHBondContact N-OG 2.85Å; F1017-S1027 VanDerWaalsContact O-CB 3.3Å; F1017-S1027 WeakPolarHBondContact O-CB 3.4Å; F1017-S1027 PolarHBondContact O-OG 2.8Å; F1017-S1027 VanDerWaalsContact O-OG 3.09Å; H1024-S1027 WeakPolarHBondContact O-CB 3.5Å; H1024-S1027 PolarHBondContact O-N 2.77Å; S1027-Q1655 VanDerWaalsContact C-NE2 3.29Å; S1027-Q1655 PolarHBondContact O-NE2 2.79Å; S1027-Q1655 PolarHBondContact O-OE1 2.84Å |
| 1028 | P | 43.5 | Very low | 58 | Low | 23 Ų | 23 | 83.4 Ų | 83.4 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | S | Bend | cis | -87.9 | 124.5 | 15.8 | 29.2 | -28.8 | 0 | 0 | 0 | 114.1 | K1014 V1015 R1016 Q1026 T1030 Q1655 | K1014-P1028 HydrophobicContact CB-CB 3.94Å; K1014-P1028 HydrophobicContact CD-CG 4.32Å; K1014-P1028 HydrophobicContact CG-CB 4.46Å; V1015-P1028 WeakPolarHBondContact O-CA 3.42Å; R1016-P1028 HydrophobicContact CG-CB 3.73Å; R1016-P1028 HydrophobicContact CG-CG 4.36Å; Q1026-P1028 CarbonylContact O-C 3.5Å; P1028-T1030 PolarHBondContact O-N 3.09Å; P1028-Q1655 VanDerWaalsContact CD-CD 3.48Å |
| 1029 | V | 48.4 | Very low | 59.6 | Low | 50 Ų | 50 | 80.3 Ų | 80.3 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122.7 | 163.4 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | V1015 F1017 Q1026 L1031 | V1015-V1029 PolarHBondContact N-O 2.86Å; V1015-V1029 PolarHBondContact O-N 2.79Å; F1017-V1029 HydrophobicContact CE1-CG2 4.3Å; F1017-V1029 HydrophobicContact CZ-CB 4.48Å; F1017-V1029 HydrophobicContact CZ-CG2 3.63Å; Q1026-V1029 HydrophobicContact CB-CG2 4.35Å; Q1026-V1029 WeakPolarHBondContact O-CG2 3.32Å; Q1026-V1029 PolarHBondContact O-N 2.95Å; Q1026-V1029 VanDerWaalsContact O-N 3.15Å; V1029-L1031 HydrophobicContact CG1-CD2 3.78Å; V1029-L1031 HydrophobicContact CG1-CG 4Å |
| 1030 | T | 53.5 | Low | 61 | Low | 66 Ų | 66 | 80.7 Ų | 80.7 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 100.4 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | I1012 Y1013 K1014 P1028 | I1012-T1030 HydrophobicContact CG2-CG2 3.49Å; I1012-T1030 VanDerWaalsContact CG2-CG2 3.49Å; Y1013-T1030 CarbonylContact O-C 3.55Å; Y1013-T1030 WeakPolarHBondContact O-CA 3.4Å; K1014-T1030 WeakPolarHBondContact CE-OG1 3.27Å; K1014-T1030 HydrophobicContact CG-CG2 4.23Å; P1028-T1030 PolarHBondContact O-N 3.09Å |
| 1031 | L | 56.6 | Low | 62.4 | Low | 65 Ų | 65 | 73.2 Ų | 73.2 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.9 | 179.9 | -63.7 | 173.3 | 0 | 0 | 0 | 109.9 | F1005 Y1013 V1015 V1029 V1033 | F1005-L1031 HydrophobicContact CE1-CD1 3.53Å; F1005-L1031 HydrophobicContact CZ-CD1 3.61Å; Y1013-L1031 PolarHBondContact N-O 3.22Å; Y1013-L1031 PolarHBondContact O-N 2.84Å; V1015-L1031 HydrophobicContact CG2-CD1 3.85Å; V1029-L1031 HydrophobicContact CG1-CD2 3.78Å; V1029-L1031 HydrophobicContact CG1-CG 4Å; L1031-V1033 PolarHBondContact O-N 3.46Å |
| 1032 | K | 57.4 | Low | 63.6 | Low | 127 Ų | 127 | 69.3 Ų | 69.3 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 96.2 | 168.6 | -67 | 178.1 | 179.7 | 177.7 | 0 | 108.4 | H1064 | K1032-H1064 HydrophobicContact CB-CB 4.22Å; K1032-H1064 HydrophobicContact CD-CB 4.09Å; K1032-H1064 HydrophobicContact CG-CB 4.35Å |
| 1033 | V | 65.8 | Low | 65.4 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.9 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | P1007 V1010 G1011 Y1013 L1031 | P1007-V1033 HydrophobicContact CB-CG1 4.49Å; P1007-V1033 HydrophobicContact CB-CG2 4.11Å; P1007-V1033 HydrophobicContact CG-CG1 4.17Å; P1007-V1033 HydrophobicContact CG-CG2 3.8Å; V1010-V1033 WeakPolarHBondContact CG1-O 3.46Å; G1011-V1033 PolarHBondContact N-O 2.89Å; G1011-V1033 VanDerWaalsContact N-O 3.09Å; G1011-V1033 WeakPolarHBondContact O-CB 3.48Å; G1011-V1033 PolarHBondContact O-N 3.23Å; Y1013-V1033 HydrophobicContact CD2-CB 4.2Å; Y1013-V1033 HydrophobicContact CD2-CG2 3.57Å; Y1013-V1033 HydrophobicContact CE2-CB 4.11Å; Y1013-V1033 HydrophobicContact CE2-CG2 3.83Å; L1031-V1033 PolarHBondContact O-N 3.46Å |
| 1034 | Y | 75.7 | Confident | 67 | Low | 91 Ų | 91 | 65.3 Ų | 65.3 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | trans | -123.5 | 164.6 | 175.4 | 68.9 | -89.9 | 0 | 0 | 0 | 110.3 | A1062 F1110 N1111 | Y1034-A1062 CarbonylContact C-O 3.51Å; Y1034-A1062 WeakPolarHBondContact CA-O 3.19Å; Y1034-A1062 VanDerWaalsContact CB-O 3.26Å; Y1034-A1062 WeakPolarHBondContact CB-O 3.46Å; Y1034-F1110 HydrophobicContact CD2-CD1 4.45Å; Y1034-N1111 VanDerWaalsContact CD1-ND2 3.31Å; Y1034-N1111 WeakPolarHBondContact CD1-ND2 3.31Å; Y1034-N1111 WeakPolarHBondContact CD2-ND2 3.42Å; Y1034-N1111 WeakPolarHBondContact CE1-ND2 3.38Å; Y1034-N1111 HydrophobicContact CE2-CB 3.97Å; Y1034-N1111 VanDerWaalsContact CG-ND2 3.3Å | ||
| 1035 | N | 74.6 | Confident | 67.8 | Low | 50 Ų | 50 | 67.5 Ų | 67.5 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | trans | -149.8 | 108.4 | 176.5 | -178.3 | -34.1 | 0 | 0 | 0 | 109.5 | V1010 D1037 R1038 A1062 | V1010-N1035 HydrophobicContact CG1-CB 4.5Å; V1010-N1035 HydrophobicContact CG2-CB 4.11Å; N1035-D1037 VanDerWaalsContact C-N 3.27Å; N1035-D1037 PolarHBondContact O-N 3.47Å; N1035-D1037 WeakPolarHBondContact OD1-CA 3.21Å; N1035-D1037 WeakPolarHBondContact OD1-CB 3.39Å; N1035-D1037 PolarHBondContact OD1-N 3.27Å; N1035-R1038 PolarHBondContact O-N 3.34Å; N1035-A1062 PolarHBondContact N-O 3.09Å; N1035-A1062 VanDerWaalsContact O-CA 3.3Å; N1035-A1062 WeakPolarHBondContact O-CA 3.42Å; N1035-A1062 WeakPolarHBondContact O-CB 3.47Å | ||
| 1036 | P | 75.2 | Confident | 68.8 | Low | 18 Ų | 18 | 67.6 Ų | 67.6 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -68.9 | -21.1 | -177.9 | 29.9 | -35.7 | 0 | 0 | 0 | 113.5 | R1038 V1039 E1113 I1115 | P1036-R1038 PolarHBondContact O-N 3.32Å; P1036-R1038 VanDerWaalsContact O-N 3.16Å; P1036-V1039 WeakPolarHBondContact O-CB 3.3Å; P1036-V1039 PolarHBondContact O-N 3.38Å; P1036-E1113 HydrophobicContact CG-CB 4.42Å; P1036-I1115 HydrophobicContact CB-CG2 4.48Å |
| 1037 | D | 76.4 | Confident | 70.2 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 60% | 0.599 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.5 | 175.2 | -52.6 | -31.8 | 0 | 0 | 0 | 112.8 | N1035 P1116 | N1035-D1037 VanDerWaalsContact C-N 3.27Å; N1035-D1037 PolarHBondContact O-N 3.47Å; N1035-D1037 WeakPolarHBondContact OD1-CA 3.21Å; N1035-D1037 WeakPolarHBondContact OD1-CB 3.39Å; N1035-D1037 PolarHBondContact OD1-N 3.27Å; D1037-P1116 HydrophobicContact CB-CG 4.16Å; D1037-P1116 WeakPolarHBondContact OD1-CG 3.09Å |
| 1038 | R | 82 | Confident | 71.4 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -96.7 | 10.4 | 173.3 | -66.3 | -169.2 | 175.2 | -145 | 3.3 | 113.5 | N1035 P1036 H1061 A1062 | N1035-R1038 PolarHBondContact O-N 3.34Å; P1036-R1038 PolarHBondContact O-N 3.32Å; P1036-R1038 VanDerWaalsContact O-N 3.16Å; R1038-H1061 HydrophobicContact CB-CB 4.08Å; R1038-H1061 VanDerWaalsContact CB-O 3.31Å; R1038-H1061 WeakPolarHBondContact CB-O 3.43Å; R1038-H1061 WeakPolarHBondContact CD-O 3.31Å; R1038-A1062 HydrophobicContact CB-CB 4.4Å |
| 1039 | V | 81 | Confident | 73.2 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | trans | -88.2 | 109.4 | 161.3 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | P1036 V1057 D1058 A1059 A1062 L1067 F1110 I1115 | P1036-V1039 WeakPolarHBondContact O-CB 3.3Å; P1036-V1039 PolarHBondContact O-N 3.38Å; V1039-V1057 HydrophobicContact CG1-CG1 3.58Å; V1039-D1058 CarbonylContact C-O 3.45Å; V1039-D1058 VanDerWaalsContact CA-O 3.29Å; V1039-D1058 WeakPolarHBondContact CA-O 3.48Å; V1039-A1059 HydrophobicContact CG1-CB 4.16Å; V1039-A1059 HydrophobicContact CG2-CB 3.97Å; V1039-A1062 HydrophobicContact CB-CB 4.49Å; V1039-A1062 HydrophobicContact CG2-CB 3.38Å; V1039-L1067 HydrophobicContact CG1-CD1 4.18Å; V1039-F1110 HydrophobicContact CG2-CB 3.99Å; V1039-F1110 HydrophobicContact CG2-CD1 3.97Å; V1039-F1110 HydrophobicContact CG2-CD2 4.06Å; V1039-F1110 HydrophobicContact CG2-CE1 4.45Å; V1039-F1110 HydrophobicContact CG2-CG 3.74Å; V1039-I1115 HydrophobicContact CB-CB 4.19Å; V1039-I1115 HydrophobicContact CB-CD1 4.08Å; V1039-I1115 HydrophobicContact CB-CG2 3.73Å; V1039-I1115 HydrophobicContact CG1-CD1 3.63Å; V1039-I1115 HydrophobicContact CG1-CG2 4.02Å; V1039-I1115 HydrophobicContact CG2-CG2 3.99Å | ||
| 1040 | V | 79.5 | Confident | 74.3 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.4 | -176.2 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | D1058 | V1040-D1058 HydrophobicContact CB-CB 4.48Å; V1040-D1058 PolarHBondContact N-O 2.99Å; V1040-D1058 PolarHBondContact O-N 2.8Å |
| 1041 | I | 86.3 | Confident | 75.2 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 132.5 | 169.3 | -109.8 | 172.4 | 0 | 0 | 0 | 110.6 | I1044 F1055 T1056 V1057 I1106 V1108 I1115 F1120 | I1041-I1044 HydrophobicContact CD1-CD1 4.19Å; I1041-I1044 HydrophobicContact CG2-CD1 3.4Å; I1041-I1044 VanDerWaalsContact CG2-CD1 3.4Å; I1041-I1044 HydrophobicContact CG2-CG1 4.03Å; I1041-F1055 HydrophobicContact CD1-CD2 4.32Å; I1041-F1055 HydrophobicContact CD1-CE2 4.03Å; I1041-F1055 HydrophobicContact CG1-CD2 4.32Å; I1041-F1055 HydrophobicContact CG1-CE2 4.45Å; I1041-T1056 WeakPolarHBondContact CA-O 3.24Å; I1041-V1057 HydrophobicContact CD1-CG2 4.04Å; I1041-V1057 HydrophobicContact CG1-CB 4.29Å; I1041-V1057 HydrophobicContact CG1-CG1 4.24Å; I1041-V1057 HydrophobicContact CG1-CG2 3.69Å; I1041-I1106 HydrophobicContact CD1-CG2 4.38Å; I1041-V1108 HydrophobicContact CD1-CB 4.31Å; I1041-V1108 HydrophobicContact CD1-CG2 3.56Å; I1041-I1115 HydrophobicContact CD1-CD1 4.33Å; I1041-I1115 HydrophobicContact CG1-CD1 4.48Å; I1041-F1120 HydrophobicContact CB-CD1 4.44Å; I1041-F1120 HydrophobicContact CB-CD2 4.37Å; I1041-F1120 HydrophobicContact CB-CE1 3.96Å; I1041-F1120 HydrophobicContact CB-CE2 3.91Å; I1041-F1120 HydrophobicContact CB-CZ 3.67Å; I1041-F1120 HydrophobicContact CD1-CD2 3.53Å; I1041-F1120 HydrophobicContact CD1-CE2 3.52Å; I1041-F1120 HydrophobicContact CD1-CG 4.27Å; I1041-F1120 HydrophobicContact CD1-CZ 4.23Å; I1041-F1120 HydrophobicContact CG1-CE2 4.24Å; I1041-F1120 HydrophobicContact CG1-CZ 4.49Å; I1041-F1120 HydrophobicContact CG2-CD1 3.52Å; I1041-F1120 HydrophobicContact CG2-CD2 4.03Å; I1041-F1120 HydrophobicContact CG2-CE1 3.43Å; I1041-F1120 VanDerWaalsContact CG2-CE1 3.43Å; I1041-F1120 HydrophobicContact CG2-CE2 3.98Å; I1041-F1120 HydrophobicContact CG2-CG 3.82Å; I1041-F1120 HydrophobicContact CG2-CZ 3.67Å |
| 1042 | N | 80 | Confident | 76.3 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.4 | 179.9 | -66.2 | -70.2 | 0 | 0 | 0 | 110.5 | I1044 F1055 T1056 | N1042-I1044 PolarHBondContact O-N 3.12Å; N1042-F1055 WeakPolarHBondContact O-CB 3.08Å; N1042-T1056 WeakPolarHBondContact CB-OG1 3.29Å; N1042-T1056 PolarHBondContact N-O 2.86Å; N1042-T1056 PolarHBondContact O-N 2.79Å |
| 1043 | D | 79.6 | Confident | 77.5 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | trans | 60.2 | 25.3 | 171.4 | -56 | -27.5 | 0 | 0 | 0 | 117.4 | V1045 T1056 | D1043-V1045 VanDerWaalsContact O-CG2 3.29Å; D1043-V1045 WeakPolarHBondContact O-CG2 3.16Å; D1043-V1045 PolarHBondContact O-N 3.27Å; D1043-T1056 PolarHBondContact OD2-OG1 2.91Å | ||
| 1044 | I | 80.2 | Confident | 78.5 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | trans | -73 | 90.7 | 170.9 | -63.4 | 178.7 | 0 | 0 | 0 | 110.3 | I1041 N1042 F1055 I1106 F1120 C1122 | I1041-I1044 HydrophobicContact CD1-CD1 4.19Å; I1041-I1044 HydrophobicContact CG2-CD1 3.4Å; I1041-I1044 VanDerWaalsContact CG2-CD1 3.4Å; I1041-I1044 HydrophobicContact CG2-CG1 4.03Å; N1042-I1044 PolarHBondContact O-N 3.12Å; I1044-F1055 HydrophobicContact CD1-CD2 4.32Å; I1044-F1055 HydrophobicContact CD1-CG 4.44Å; I1044-F1055 HydrophobicContact CG1-CB 3.6Å; I1044-F1055 HydrophobicContact CG1-CD1 4.35Å; I1044-F1055 HydrophobicContact CG1-CD2 4.07Å; I1044-F1055 HydrophobicContact CG1-CG 3.79Å; I1044-I1106 HydrophobicContact CD1-CD1 3.79Å; I1044-I1106 HydrophobicContact CG1-CD1 4.2Å; I1044-I1106 HydrophobicContact CG2-CD1 3.96Å; I1044-F1120 HydrophobicContact CD1-CB 3.38Å; I1044-F1120 HydrophobicContact CD1-CD1 4.28Å; I1044-F1120 HydrophobicContact CD1-CD2 4.47Å; I1044-F1120 HydrophobicContact CD1-CG 3.83Å; I1044-C1122 HydrophobicContact CG2-CB 4.1Å | ||
| 1045 | V | 74.9 | Confident | 79.1 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 58% | 0.582 | 34% | 0.336 | S | S | * | . | trans | -90.3 | 146.5 | 176.6 | -147 | 0 | 0 | 0 | 0 | 111.1 | D1043 C1122 | D1043-V1045 VanDerWaalsContact O-CG2 3.29Å; D1043-V1045 WeakPolarHBondContact O-CG2 3.16Å; D1043-V1045 PolarHBondContact O-N 3.27Å; V1045-C1122 PolarHBondContact O-SG 3.18Å | ||
| 1046 | S | 71.5 | Confident | 79.5 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 57% | 0.566 | 33% | 0.328 | S | S | * | . | trans | -75.3 | 141 | 169.7 | 29 | 0 | 0 | 0 | 0 | 111.3 | N1123 | S1046-N1123 VanDerWaalsContact CA-O 3.26Å; S1046-N1123 WeakPolarHBondContact CA-O 3.48Å; S1046-N1123 WeakPolarHBondContact CB-O 3.38Å | ||
| 1047 | S | 78.1 | Confident | 80.1 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -173.1 | -169 | -170 | 0 | 0 | 0 | 0 | 112.4 | K1051 N1123 V1124 K1125 | S1047-K1051 PolarHBondContact OG-O 3.36Å; S1047-K1051 VanDerWaalsContact OG-O 3.05Å; S1047-N1123 PolarHBondContact N-O 2.85Å; S1047-N1123 VanDerWaalsContact N-O 3.09Å; S1047-V1124 WeakPolarHBondContact O-CA 3.43Å; S1047-K1125 PolarHBondContact O-N 2.9Å |
| 1048 | T | 79.7 | Confident | 80.5 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.6 | 173.4 | 36.3 | 0 | 0 | 0 | 0 | 110.5 | G1050 K1051 K1125 | T1048-G1050 PolarHBondContact O-N 3Å; T1048-K1051 PolarHBondContact O-N 3.15Å; T1048-K1125 CarbonylContact C-O 3.59Å; T1048-K1125 WeakPolarHBondContact CA-O 3.46Å; T1048-K1125 HydrophobicContact CG2-CB 4.03Å |
| 1049 | V | 81 | Confident | 80.6 | Confident | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 129.9 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | K1051 R1100 P1101 V1124 K1125 | V1049-K1051 VanDerWaalsContact C-N 3.28Å; V1049-K1051 PolarHBondContact O-N 2.88Å; V1049-R1100 VanDerWaalsContact CG2-C 3.45Å; V1049-P1101 HydrophobicContact CG2-CB 4.16Å; V1049-P1101 HydrophobicContact CG2-CG 4.47Å; V1049-P1101 VanDerWaalsContact CG2-N 3.32Å; V1049-V1124 HydrophobicContact CG2-CG1 4.2Å; V1049-K1125 WeakPolarHBondContact CG2-O 3.28Å; V1049-K1125 PolarHBondContact N-O 2.66Å |
| 1050 | G | 71.3 | Confident | 80.4 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -13 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1048 P1098 | T1048-G1050 PolarHBondContact O-N 3Å; G1050-P1098 PolarHBondContact N-O 2.94Å |
| 1051 | K | 73.6 | Confident | 80.3 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -85.5 | 123.8 | 172.8 | -79.7 | -161.9 | 177.2 | -176.6 | 0 | 111.1 | S1047 T1048 V1049 V1053 P1098 | S1047-K1051 PolarHBondContact OG-O 3.36Å; S1047-K1051 VanDerWaalsContact OG-O 3.05Å; T1048-K1051 PolarHBondContact O-N 3.15Å; V1049-K1051 VanDerWaalsContact C-N 3.28Å; V1049-K1051 PolarHBondContact O-N 2.88Å; K1051-V1053 PolarHBondContact O-N 2.88Å; K1051-P1098 WeakPolarHBondContact O-CD 3.29Å |
| 1052 | P | 77.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 120 | 179.6 | 24.8 | -33.2 | 0 | 0 | 0 | 111 | F1096 | P1052-F1096 CarbonylContact C-O 3.52Å; P1052-F1096 WeakPolarHBondContact CA-O 3.47Å |
| 1053 | V | 82.8 | Confident | 79 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140 | 163.5 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | K1051 F1055 S1095 F1096 P1098 | K1051-V1053 PolarHBondContact O-N 2.88Å; V1053-F1055 HydrophobicContact CG1-CD1 4.36Å; V1053-S1095 CarbonylContact O-C 3.53Å; V1053-S1095 WeakPolarHBondContact O-CA 3.49Å; V1053-S1095 WeakPolarHBondContact O-CB 3.09Å; V1053-F1096 HydrophobicContact CB-CD1 3.77Å; V1053-F1096 HydrophobicContact CB-CE1 3.45Å; V1053-F1096 VanDerWaalsContact CB-CE1 3.45Å; V1053-F1096 HydrophobicContact CB-CG 4.45Å; V1053-F1096 HydrophobicContact CB-CZ 3.87Å; V1053-F1096 HydrophobicContact CG1-CD1 4.18Å; V1053-F1096 HydrophobicContact CG1-CE1 3.54Å; V1053-F1096 HydrophobicContact CG1-CZ 4.12Å; V1053-F1096 HydrophobicContact CG2-CD1 4.42Å; V1053-F1096 HydrophobicContact CG2-CE1 3.85Å; V1053-F1096 HydrophobicContact CG2-CE2 4.14Å; V1053-F1096 HydrophobicContact CG2-CZ 3.69Å; V1053-F1096 PolarHBondContact N-O 2.95Å; V1053-F1096 PolarHBondContact O-N 2.92Å; V1053-P1098 HydrophobicContact CG2-CG 4.21Å |
| 1054 | Q | 86.6 | Confident | 78.3 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.2 | 168.1 | -60 | -170.1 | -7.5 | 0 | 0 | 108.6 | V1094 | Q1054-V1094 VanDerWaalsContact CA-O 3.31Å; Q1054-V1094 WeakPolarHBondContact CA-O 3.38Å |
| 1055 | F | 89.4 | Confident | 77.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 169.5 | 175.4 | 65.1 | -91.3 | 0 | 0 | 0 | 109.7 | I1041 N1042 I1044 V1053 V1057 I1069 I1071 V1094 F1096 I1106 | I1041-F1055 HydrophobicContact CD1-CD2 4.32Å; I1041-F1055 HydrophobicContact CD1-CE2 4.03Å; I1041-F1055 HydrophobicContact CG1-CD2 4.32Å; I1041-F1055 HydrophobicContact CG1-CE2 4.45Å; N1042-F1055 WeakPolarHBondContact O-CB 3.08Å; I1044-F1055 HydrophobicContact CD1-CD2 4.32Å; I1044-F1055 HydrophobicContact CD1-CG 4.44Å; I1044-F1055 HydrophobicContact CG1-CB 3.6Å; I1044-F1055 HydrophobicContact CG1-CD1 4.35Å; I1044-F1055 HydrophobicContact CG1-CD2 4.07Å; I1044-F1055 HydrophobicContact CG1-CG 3.79Å; V1053-F1055 HydrophobicContact CG1-CD1 4.36Å; F1055-V1057 HydrophobicContact CD2-CG2 4.03Å; F1055-V1057 HydrophobicContact CE2-CG2 3.79Å; F1055-I1069 HydrophobicContact CZ-CG2 4.35Å; F1055-I1071 HydrophobicContact CE1-CD1 3.81Å; F1055-I1071 HydrophobicContact CZ-CD1 4Å; F1055-V1094 HydrophobicContact CD1-CB 4.16Å; F1055-V1094 HydrophobicContact CD1-CG1 4.44Å; F1055-V1094 HydrophobicContact CD2-CB 4.03Å; F1055-V1094 HydrophobicContact CD2-CG2 4.22Å; F1055-V1094 HydrophobicContact CE1-CB 3.8Å; F1055-V1094 HydrophobicContact CE1-CG1 3.64Å; F1055-V1094 HydrophobicContact CE2-CB 3.65Å; F1055-V1094 HydrophobicContact CE2-CG1 4.04Å; F1055-V1094 HydrophobicContact CE2-CG2 3.69Å; F1055-V1094 HydrophobicContact CG-CB 4.27Å; F1055-V1094 HydrophobicContact CZ-CB 3.53Å; F1055-V1094 HydrophobicContact CZ-CG1 3.41Å; F1055-V1094 VanDerWaalsContact CZ-CG1 3.41Å; F1055-V1094 HydrophobicContact CZ-CG2 3.96Å; F1055-V1094 PolarHBondContact N-O 2.91Å; F1055-V1094 PolarHBondContact O-N 3.22Å; F1055-F1096 HydrophobicContact CD1-CE1 4.41Å; F1055-F1096 HydrophobicContact CE1-CD1 4.03Å; F1055-F1096 HydrophobicContact CE1-CE1 4.02Å; F1055-I1106 HydrophobicContact CD1-CD1 4.17Å; F1055-I1106 HydrophobicContact CE1-CD1 3.79Å; F1055-I1106 HydrophobicContact CE1-CG1 4.28Å; F1055-I1106 HydrophobicContact CE1-CG2 4.16Å; F1055-I1106 HydrophobicContact CE2-CG2 3.83Å; F1055-I1106 HydrophobicContact CZ-CD1 4.16Å; F1055-I1106 HydrophobicContact CZ-CG1 4.36Å; F1055-I1106 HydrophobicContact CZ-CG2 3.42Å; F1055-I1106 VanDerWaalsContact CZ-CG2 3.42Å |
| 1056 | T | 82.8 | Confident | 77.1 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.2 | -176.9 | 33.4 | 0 | 0 | 0 | 0 | 111.1 | I1041 N1042 D1043 F1092 K1093 | I1041-T1056 WeakPolarHBondContact CA-O 3.24Å; N1042-T1056 WeakPolarHBondContact CB-OG1 3.29Å; N1042-T1056 PolarHBondContact N-O 2.86Å; N1042-T1056 PolarHBondContact O-N 2.79Å; D1043-T1056 PolarHBondContact OD2-OG1 2.91Å; T1056-F1092 CarbonylContact C-O 3.59Å; T1056-F1092 WeakPolarHBondContact CA-O 3.08Å; T1056-K1093 HydrophobicContact CG2-CB 4.22Å; T1056-K1093 HydrophobicContact CG2-CG 4.34Å |
| 1057 | V | 88.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 101.4 | -178.9 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | V1039 I1041 F1055 A1059 L1067 I1069 F1092 V1094 V1108 | V1039-V1057 HydrophobicContact CG1-CG1 3.58Å; I1041-V1057 HydrophobicContact CD1-CG2 4.04Å; I1041-V1057 HydrophobicContact CG1-CB 4.29Å; I1041-V1057 HydrophobicContact CG1-CG1 4.24Å; I1041-V1057 HydrophobicContact CG1-CG2 3.69Å; F1055-V1057 HydrophobicContact CD2-CG2 4.03Å; F1055-V1057 HydrophobicContact CE2-CG2 3.79Å; V1057-A1059 PolarHBondContact O-N 3.22Å; V1057-L1067 HydrophobicContact CB-CD2 4.34Å; V1057-L1067 HydrophobicContact CG1-CD1 4.07Å; V1057-L1067 HydrophobicContact CG1-CD2 3.87Å; V1057-I1069 HydrophobicContact CG2-CD1 3.93Å; V1057-F1092 HydrophobicContact CB-CB 4.41Å; V1057-F1092 PolarHBondContact N-O 2.81Å; V1057-F1092 PolarHBondContact O-N 3Å; V1057-V1094 HydrophobicContact CG2-CG2 3.78Å; V1057-V1108 HydrophobicContact CG1-CG1 4.29Å |
| 1058 | D | 84.7 | Confident | 77.4 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 97.2 | -176 | -166.7 | -13.7 | 0 | 0 | 0 | 110.8 | V1039 V1040 T1060 N1091 | V1039-D1058 CarbonylContact C-O 3.45Å; V1039-D1058 VanDerWaalsContact CA-O 3.29Å; V1039-D1058 WeakPolarHBondContact CA-O 3.48Å; V1040-D1058 HydrophobicContact CB-CB 4.48Å; V1040-D1058 PolarHBondContact N-O 2.99Å; V1040-D1058 PolarHBondContact O-N 2.8Å; D1058-T1060 WeakPolarHBondContact OD1-CB 3.24Å; D1058-T1060 PolarHBondContact OD1-N 3.16Å; D1058-T1060 PolarHBondContact OD1-OG1 3.35Å; D1058-N1091 PolarHBondContact OD2-ND2 3.11Å |
| 1059 | A | 84.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | trans | -95.1 | 11.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1039 V1057 H1061 A1062 A1090 F1092 F1110 | V1039-A1059 HydrophobicContact CG1-CB 4.16Å; V1039-A1059 HydrophobicContact CG2-CB 3.97Å; V1057-A1059 PolarHBondContact O-N 3.22Å; A1059-H1061 PolarHBondContact O-N 2.86Å; A1059-A1062 HydrophobicContact CB-CB 4.12Å; A1059-A1062 WeakPolarHBondContact O-CB 3.03Å; A1059-A1062 PolarHBondContact O-N 2.89Å; A1059-A1090 CarbonylContact C-O 3.52Å; A1059-A1090 WeakPolarHBondContact CA-O 3.5Å; A1059-A1090 HydrophobicContact CB-CB 4.32Å; A1059-A1090 WeakPolarHBondContact CB-O 3.46Å; A1059-A1090 PolarHBondContact N-O 3Å; A1059-F1092 HydrophobicContact CB-CE2 4.47Å; A1059-F1110 HydrophobicContact CB-CE2 4.04Å; A1059-F1110 HydrophobicContact CB-CZ 4.48Å | ||
| 1060 | T | 75.9 | Confident | 77.8 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.5 | -173.4 | -54.8 | 0 | 0 | 0 | 0 | 113.6 | D1058 N1089 A1090 | D1058-T1060 WeakPolarHBondContact OD1-CB 3.24Å; D1058-T1060 PolarHBondContact OD1-N 3.16Å; D1058-T1060 PolarHBondContact OD1-OG1 3.35Å; T1060-N1089 HydrophobicContact CG2-CB 3.6Å; T1060-N1089 WeakPolarHBondContact OG1-CB 3.36Å; T1060-A1090 PolarHBondContact N-O 3.35Å; T1060-A1090 PolarHBondContact OG1-N 3.22Å |
| 1061 | H | 77 | Confident | 78.7 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 5.4 | -179.8 | -55.9 | -37.1 | 0 | 0 | 0 | 113.3 | R1038 A1059 | R1038-H1061 HydrophobicContact CB-CB 4.08Å; R1038-H1061 VanDerWaalsContact CB-O 3.31Å; R1038-H1061 WeakPolarHBondContact CB-O 3.43Å; R1038-H1061 WeakPolarHBondContact CD-O 3.31Å; A1059-H1061 PolarHBondContact O-N 2.86Å |
| 1062 | A | 75.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1034 N1035 R1038 V1039 A1059 F1110 | Y1034-A1062 CarbonylContact C-O 3.51Å; Y1034-A1062 WeakPolarHBondContact CA-O 3.19Å; Y1034-A1062 VanDerWaalsContact CB-O 3.26Å; Y1034-A1062 WeakPolarHBondContact CB-O 3.46Å; N1035-A1062 PolarHBondContact N-O 3.09Å; N1035-A1062 VanDerWaalsContact O-CA 3.3Å; N1035-A1062 WeakPolarHBondContact O-CA 3.42Å; N1035-A1062 WeakPolarHBondContact O-CB 3.47Å; R1038-A1062 HydrophobicContact CB-CB 4.4Å; V1039-A1062 HydrophobicContact CB-CB 4.49Å; V1039-A1062 HydrophobicContact CG2-CB 3.38Å; A1059-A1062 HydrophobicContact CB-CB 4.12Å; A1059-A1062 WeakPolarHBondContact O-CB 3.03Å; A1059-A1062 PolarHBondContact O-N 2.89Å; A1062-F1110 HydrophobicContact CB-CD1 4.18Å; A1062-F1110 HydrophobicContact CB-CE1 3.6Å; A1062-F1110 HydrophobicContact CB-CZ 3.82Å |
| 1063 | G | 63.9 | Low | 79.5 | Confident | 30 Ų | 30 | 43 Ų | 43 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | trans | 85.9 | -149.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1064 | H | 64.5 | Low | 79.3 | Confident | 102 Ų | 102 | 49 Ų | 49 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -88.6 | 116.8 | -178.5 | -109.6 | -62.6 | 0 | 0 | 0 | 111.6 | K1032 N1111 | K1032-H1064 HydrophobicContact CB-CB 4.22Å; K1032-H1064 HydrophobicContact CD-CB 4.09Å; K1032-H1064 HydrophobicContact CG-CB 4.35Å; H1064-N1111 PolarHBondContact O-ND2 2.83Å |
| 1065 | G | 63.4 | Low | 78.8 | Confident | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | trans | -171.4 | 163.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1110 N1111 | G1065-F1110 VanDerWaalsContact O-CE2 3.28Å; G1065-F1110 WeakPolarHBondContact O-CE2 3.44Å; G1065-N1111 VanDerWaalsContact CA-CG 3.41Å; G1065-N1111 WeakPolarHBondContact CA-ND2 3.24Å; G1065-N1111 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 1066 | D | 67.5 | Low | 77.8 | Confident | 128 Ų | 128 | 53.1 Ų | 53.1 | 68% | 0.684 | 30% | 0.295 | S | S | * | . | trans | -82.9 | 125.8 | 177.5 | -65.4 | -44.1 | 0 | 0 | 0 | 110.3 | F1110 N1111 | D1066-F1110 CarbonylContact O-C 3.59Å; D1066-F1110 VanDerWaalsContact O-CA 3.28Å; D1066-F1110 WeakPolarHBondContact O-CA 3.43Å; D1066-N1111 PolarHBondContact N-OD1 3.31Å; D1066-N1111 VanDerWaalsContact N-OD1 3.11Å; D1066-N1111 PolarHBondContact O-N 2.9Å | ||
| 1067 | L | 78.1 | Confident | 77.2 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109 | -178.3 | -175.3 | 72.9 | 0 | 0 | 0 | 110.8 | V1039 V1057 I1069 F1092 V1108 T1109 F1110 | V1039-L1067 HydrophobicContact CG1-CD1 4.18Å; V1057-L1067 HydrophobicContact CB-CD2 4.34Å; V1057-L1067 HydrophobicContact CG1-CD1 4.07Å; V1057-L1067 HydrophobicContact CG1-CD2 3.87Å; L1067-I1069 HydrophobicContact CD2-CD1 4.21Å; L1067-I1069 HydrophobicContact CG-CD1 4.4Å; L1067-I1069 HydrophobicContact CG-CG1 4.35Å; L1067-F1092 HydrophobicContact CD2-CB 4.28Å; L1067-F1092 HydrophobicContact CD2-CD2 3.35Å; L1067-F1092 HydrophobicContact CD2-CE2 3.71Å; L1067-F1092 HydrophobicContact CD2-CG 3.85Å; L1067-F1092 HydrophobicContact CD2-CZ 4.47Å; L1067-V1108 HydrophobicContact CD1-CG1 3.66Å; L1067-T1109 WeakPolarHBondContact CA-O 3.45Å; L1067-F1110 HydrophobicContact CB-CD2 4.04Å; L1067-F1110 HydrophobicContact CB-CE2 4.44Å; L1067-F1110 HydrophobicContact CD1-CB 4.41Å; L1067-F1110 HydrophobicContact CD1-CD2 3.85Å |
| 1068 | E | 77.2 | Confident | 76.5 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.5 | 175 | -80.7 | -169.2 | 140.6 | 0 | 0 | 111.6 | V1108 T1109 | E1068-V1108 WeakPolarHBondContact O-CA 3.31Å; E1068-T1109 WeakPolarHBondContact CB-OG1 3.32Å; E1068-T1109 PolarHBondContact N-O 3.42Å; E1068-T1109 PolarHBondContact O-N 2.98Å |
| 1069 | I | 86.6 | Confident | 76.1 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 114.3 | -176 | -54 | -178 | 0 | 0 | 0 | 109.5 | F1055 V1057 L1067 I1071 V1083 V1094 H1107 V1108 | F1055-I1069 HydrophobicContact CZ-CG2 4.35Å; V1057-I1069 HydrophobicContact CG2-CD1 3.93Å; L1067-I1069 HydrophobicContact CD2-CD1 4.21Å; L1067-I1069 HydrophobicContact CG-CD1 4.4Å; L1067-I1069 HydrophobicContact CG-CG1 4.35Å; I1069-I1071 HydrophobicContact CG2-CG1 4.46Å; I1069-V1083 HydrophobicContact CD1-CG1 4.42Å; I1069-V1083 HydrophobicContact CD1-CG2 4.16Å; I1069-V1094 HydrophobicContact CD1-CG2 3.55Å; I1069-V1094 HydrophobicContact CG2-CG1 4.34Å; I1069-H1107 WeakPolarHBondContact CA-O 3.24Å; I1069-V1108 HydrophobicContact CB-CG2 4.4Å; I1069-V1108 HydrophobicContact CG1-CG1 4.29Å; I1069-V1108 HydrophobicContact CG1-CG2 4.01Å; I1069-V1108 HydrophobicContact CG2-CG2 4.06Å |
| 1070 | A | 82.1 | Confident | 75.4 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1107 | A1070-H1107 HydrophobicContact CB-CB 4.47Å; A1070-H1107 PolarHBondContact N-O 2.88Å; A1070-H1107 WeakPolarHBondContact O-CB 3.28Å; A1070-H1107 PolarHBondContact O-N 2.87Å |
| 1071 | I | 90.7 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.9 | -178.8 | -51.4 | -174.1 | 0 | 0 | 0 | 108.8 | F1055 I1069 T1078 V1079 V1094 F1096 G1105 I1106 | F1055-I1071 HydrophobicContact CE1-CD1 3.81Å; F1055-I1071 HydrophobicContact CZ-CD1 4Å; I1069-I1071 HydrophobicContact CG2-CG1 4.46Å; I1071-T1078 CarbonylContact O-C 3.59Å; I1071-T1078 VanDerWaalsContact O-CA 3.32Å; I1071-T1078 WeakPolarHBondContact O-CA 3.34Å; I1071-V1079 HydrophobicContact CG2-CB 4.48Å; I1071-V1079 PolarHBondContact O-N 2.95Å; I1071-V1094 HydrophobicContact CD1-CG1 4.42Å; I1071-F1096 HydrophobicContact CD1-CB 3.97Å; I1071-F1096 HydrophobicContact CD1-CD1 3.27Å; I1071-F1096 HydrophobicContact CD1-CD2 4.44Å; I1071-F1096 HydrophobicContact CD1-CE1 3.75Å; I1071-F1096 HydrophobicContact CD1-CG 3.66Å; I1071-F1096 HydrophobicContact CG2-CD1 4.36Å; I1071-F1096 HydrophobicContact CG2-CD2 4Å; I1071-F1096 HydrophobicContact CG2-CE1 4.2Å; I1071-F1096 HydrophobicContact CG2-CE2 3.85Å; I1071-F1096 HydrophobicContact CG2-CG 4.25Å; I1071-F1096 HydrophobicContact CG2-CZ 3.95Å; I1071-G1105 CarbonylContact C-O 3.56Å; I1071-G1105 WeakPolarHBondContact CA-O 3.26Å; I1071-I1106 HydrophobicContact CD1-CG1 4.19Å; I1071-I1106 HydrophobicContact CG1-CG1 4.16Å; I1071-I1106 HydrophobicContact CG1-CG2 4.44Å; I1071-I1106 HydrophobicContact CG2-CG1 4.06Å |
| 1072 | K | 82.6 | Confident | 74.8 | Confident | 78 Ų | 78 | 65 Ų | 65 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.1 | -178.3 | -65.7 | 179.6 | -177.9 | 174 | 0 | 111.5 | T1077 H1104 G1105 | K1072-T1077 CarbonylContact C-O 3.52Å; K1072-T1077 VanDerWaalsContact CA-O 3.3Å; K1072-T1077 WeakPolarHBondContact CA-O 3.48Å; K1072-H1104 CarbonylContact O-C 3.59Å; K1072-H1104 WeakPolarHBondContact O-CA 3.46Å; K1072-G1105 PolarHBondContact N-O 3.42Å; K1072-G1105 PolarHBondContact O-N 2.88Å |
| 1073 | D | 86.8 | Confident | 74.7 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.064 | 39% | 0.391 | C | S | . | . | trans | -76.5 | 177 | 169.4 | 91.9 | -28.4 | 0 | 0 | 0 | 111.9 | N1075 G1076 T1077 V1079 R1100 K1103 | D1073-N1075 PolarHBondContact O-N 3.37Å; D1073-N1075 WeakPolarHBondContact OD1-CA 3.2Å; D1073-N1075 WeakPolarHBondContact OD1-CB 3.33Å; D1073-N1075 PolarHBondContact OD1-N 3.37Å; D1073-N1075 PolarHBondContact OD2-ND2 3.32Å; D1073-G1076 PolarHBondContact O-N 2.63Å; D1073-G1076 PolarHBondContact OD1-N 3.39Å; D1073-T1077 PolarHBondContact N-O 2.7Å; D1073-T1077 WeakPolarHBondContact OD1-CA 3.24Å; D1073-T1077 WeakPolarHBondContact OD1-CB 3.25Å; D1073-T1077 PolarHBondContact OD1-N 2.87Å; D1073-T1077 PolarHBondContact OD1-OG1 2.89Å; D1073-T1077 PolarHBondContact OD2-OG1 2.66Å; D1073-V1079 HydrophobicContact CB-CG2 4.06Å; D1073-R1100 WeakPolarHBondContact OD2-CD 3.45Å; D1073-R1100 IonicContact OD2-CZ 3.22Å; D1073-R1100 IonicContact OD2-NE 2.77Å; D1073-R1100 IonicContact OD2-NH1 2.69Å; D1073-R1100 PolarHBondContact OD2-NH1 2.69Å; D1073-K1103 CarbonylContact C-O 3.59Å | ||
| 1074 | E | 78.2 | Confident | 74.3 | Confident | 131 Ų | 131 | 71.4 Ų | 71.4 | 61% | 0.612 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.2 | -178.2 | -166.2 | 163.8 | 120.9 | 0 | 0 | 113.8 | G1102 K1103 | E1074-G1102 WeakPolarHBondContact OE2-CA 3.4Å; E1074-K1103 WeakPolarHBondContact CA-O 3.39Å; E1074-K1103 PolarHBondContact N-O 3.1Å; E1074-K1103 VanDerWaalsContact N-O 3.1Å; E1074-K1103 PolarHBondContact OE2-N 2.87Å |
| 1075 | N | 75.9 | Confident | 73.9 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 65% | 0.647 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 6.3 | 176.4 | -50.4 | -83.8 | 0 | 0 | 0 | 112.5 | D1073 T1077 | D1073-N1075 PolarHBondContact O-N 3.37Å; D1073-N1075 WeakPolarHBondContact OD1-CA 3.2Å; D1073-N1075 WeakPolarHBondContact OD1-CB 3.33Å; D1073-N1075 PolarHBondContact OD1-N 3.37Å; D1073-N1075 PolarHBondContact OD2-ND2 3.32Å; N1075-T1077 VanDerWaalsContact C-N 3.3Å; N1075-T1077 PolarHBondContact O-N 2.87Å |
| 1076 | G | 69 | Low | 73.2 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 78.6 | 5.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1073 T1078 | D1073-G1076 PolarHBondContact O-N 2.63Å; D1073-G1076 PolarHBondContact OD1-N 3.39Å; G1076-T1078 PolarHBondContact O-N 3.11Å |
| 1077 | T | 70 | Confident | 71.9 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 124.3 | -178 | -31.3 | 0 | 0 | 0 | 0 | 110.1 | K1072 D1073 N1075 V1079 R1100 | K1072-T1077 CarbonylContact C-O 3.52Å; K1072-T1077 VanDerWaalsContact CA-O 3.3Å; K1072-T1077 WeakPolarHBondContact CA-O 3.48Å; D1073-T1077 PolarHBondContact N-O 2.7Å; D1073-T1077 WeakPolarHBondContact OD1-CA 3.24Å; D1073-T1077 WeakPolarHBondContact OD1-CB 3.25Å; D1073-T1077 PolarHBondContact OD1-N 2.87Å; D1073-T1077 PolarHBondContact OD1-OG1 2.89Å; D1073-T1077 PolarHBondContact OD2-OG1 2.66Å; N1075-T1077 VanDerWaalsContact C-N 3.3Å; N1075-T1077 PolarHBondContact O-N 2.87Å; T1077-V1079 PolarHBondContact O-N 2.93Å; T1077-R1100 PolarHBondContact OG1-NH1 2.93Å |
| 1078 | T | 73.7 | Confident | 70.1 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 127.2 | 176.5 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | I1071 G1076 | I1071-T1078 CarbonylContact O-C 3.59Å; I1071-T1078 VanDerWaalsContact O-CA 3.32Å; I1071-T1078 WeakPolarHBondContact O-CA 3.34Å; G1076-T1078 PolarHBondContact O-N 3.11Å |
| 1079 | V | 76 | Confident | 68.8 | Low | 13 Ų | 13 | 76 Ų | 76 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -102 | 128.6 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | I1071 D1073 T1077 S1081 F1096 | I1071-V1079 HydrophobicContact CG2-CB 4.48Å; I1071-V1079 PolarHBondContact O-N 2.95Å; D1073-V1079 HydrophobicContact CB-CG2 4.06Å; T1077-V1079 PolarHBondContact O-N 2.93Å; V1079-S1081 PolarHBondContact O-N 2.89Å; V1079-F1096 HydrophobicContact CG1-CD2 3.97Å |
| 1080 | P | 70 | Confident | 67.8 | Low | 113 Ų | 113 | 76.6 Ų | 76.6 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 125.1 | -178.5 | -26.3 | 35.1 | 0 | 0 | 0 | 113.3 | F1096 | P1080-F1096 WeakPolarHBondContact O-CB 3.38Š|
| 1081 | S | 77.1 | Confident | 67.2 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 33% | 0.329 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 157.9 | 174.1 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | V1079 S1095 | V1079-S1081 PolarHBondContact O-N 2.89Å; S1081-S1095 CarbonylContact C-O 3.57Å; S1081-S1095 VanDerWaalsContact CA-O 3.31Å; S1081-S1095 WeakPolarHBondContact CA-O 3.41Å |
| 1082 | K | 63 | Low | 66.7 | Low | 112 Ų | 112 | 78.8 Ų | 78.8 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 113.6 | 177.4 | -167.5 | 175 | -171.7 | 175.2 | 0 | 108.8 | V1094 S1095 | K1082-V1094 CarbonylContact O-C 3.54Å; K1082-V1094 WeakPolarHBondContact O-CA 3.41Å; K1082-S1095 PolarHBondContact N-O 2.81Å; K1082-S1095 PolarHBondContact O-N 3.32Å; K1082-S1095 PolarHBondContact O-OG 3.16Å |
| 1083 | V | 71.7 | Confident | 66.6 | Low | 68 Ų | 68 | 77.8 Ų | 77.8 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.7 | -178.8 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | I1069 F1092 V1094 | I1069-V1083 HydrophobicContact CD1-CG1 4.42Å; I1069-V1083 HydrophobicContact CD1-CG2 4.16Å; V1083-F1092 HydrophobicContact CG1-CB 4Å; V1083-F1092 HydrophobicContact CG1-CD1 4.1Å; V1083-F1092 HydrophobicContact CG1-CG 4.43Å; V1083-V1094 HydrophobicContact CG1-CG2 4.38Å; V1083-V1094 HydrophobicContact CG2-CG1 4.27Å; V1083-V1094 HydrophobicContact CG2-CG2 4.27Å |
| 1084 | M | 56.3 | Low | 66.6 | Low | 98 Ų | 98 | 77.2 Ų | 77.2 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.9 | 177.7 | -57.9 | -179.2 | -61.3 | 0 | 0 | 108.7 | F1092 K1093 | M1084-F1092 CarbonylContact O-C 3.45Å; M1084-F1092 WeakPolarHBondContact O-CA 3.29Å; M1084-K1093 PolarHBondContact N-O 2.78Å; M1084-K1093 PolarHBondContact O-N 2.97Å |
| 1085 | S | 55.6 | Low | 67 | Low | 70 Ų | 70 | 71.9 Ų | 71.9 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 151.3 | 173.3 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | N1091 | S1085-N1091 CarbonylContact C-O 3.54Å; S1085-N1091 WeakPolarHBondContact CA-O 3.19Å |
| 1086 | Q | 49.5 | Very low | 67.6 | Low | 85 Ų | 85 | 66.4 Ų | 66.4 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | trans | -128.4 | 103.6 | -173.9 | -168.5 | 171.2 | -28.5 | 0 | 0 | 110.1 | N1091 | Q1086-N1091 PolarHBondContact N-O 2.8Š| ||
| 1087 | E | 40.4 | Very low | 68.3 | Low | 158 Ų | 158 | 66.6 Ų | 66.6 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 95.3 | 166.8 | -71 | 172.3 | -165 | 0 | 0 | 117.8 | N1089 | E1087-N1089 PolarHBondContact O-N 2.89Š|
| 1088 | S | 40 | Very low | 68.7 | Low | 111 Ų | 111 | 63.2 Ų | 63.2 | 78% | 0.776 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | -21.5 | 165.1 | 60.3 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1089 | N | 49.5 | Very low | 69.1 | Low | 97 Ų | 97 | 65 Ų | 65 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -110.6 | 165.5 | -176.8 | -73.9 | -20.3 | 0 | 0 | 0 | 110 | T1060 E1087 N1091 | T1060-N1089 HydrophobicContact CG2-CB 3.6Å; T1060-N1089 WeakPolarHBondContact OG1-CB 3.36Å; E1087-N1089 PolarHBondContact O-N 2.89Å; N1089-N1091 PolarHBondContact O-N 2.8Å |
| 1090 | A | 66 | Low | 69 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -79.1 | 49 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1059 T1060 F1092 | A1059-A1090 CarbonylContact C-O 3.52Å; A1059-A1090 WeakPolarHBondContact CA-O 3.5Å; A1059-A1090 HydrophobicContact CB-CB 4.32Å; A1059-A1090 WeakPolarHBondContact CB-O 3.46Å; A1059-A1090 PolarHBondContact N-O 3Å; T1060-A1090 PolarHBondContact N-O 3.35Å; T1060-A1090 PolarHBondContact OG1-N 3.22Å; A1090-F1092 HydrophobicContact CB-CE2 4.23Å; A1090-F1092 WeakPolarHBondContact O-CD2 3.26Å; A1090-F1092 VanDerWaalsContact O-CE2 3.28Å; A1090-F1092 WeakPolarHBondContact O-CE2 3.42Å |
| 1091 | N | 69.3 | Low | 69.5 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.5 | -176.8 | -155.9 | -31.6 | 0 | 0 | 0 | 108.9 | D1058 S1085 Q1086 N1089 | D1058-N1091 PolarHBondContact OD2-ND2 3.11Å; S1085-N1091 CarbonylContact C-O 3.54Å; S1085-N1091 WeakPolarHBondContact CA-O 3.19Å; Q1086-N1091 PolarHBondContact N-O 2.8Å; N1089-N1091 PolarHBondContact O-N 2.8Å |
| 1092 | F | 79.5 | Confident | 69.6 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 23% | 0.228 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.5 | -168.7 | -60.5 | -92.9 | 0 | 0 | 0 | 111.2 | T1056 V1057 A1059 L1067 V1083 M1084 A1090 | T1056-F1092 CarbonylContact C-O 3.59Å; T1056-F1092 WeakPolarHBondContact CA-O 3.08Å; V1057-F1092 HydrophobicContact CB-CB 4.41Å; V1057-F1092 PolarHBondContact N-O 2.81Å; V1057-F1092 PolarHBondContact O-N 3Å; A1059-F1092 HydrophobicContact CB-CE2 4.47Å; L1067-F1092 HydrophobicContact CD2-CB 4.28Å; L1067-F1092 HydrophobicContact CD2-CD2 3.35Å; L1067-F1092 HydrophobicContact CD2-CE2 3.71Å; L1067-F1092 HydrophobicContact CD2-CG 3.85Å; L1067-F1092 HydrophobicContact CD2-CZ 4.47Å; V1083-F1092 HydrophobicContact CG1-CB 4Å; V1083-F1092 HydrophobicContact CG1-CD1 4.1Å; V1083-F1092 HydrophobicContact CG1-CG 4.43Å; M1084-F1092 CarbonylContact O-C 3.45Å; M1084-F1092 WeakPolarHBondContact O-CA 3.29Å; A1090-F1092 HydrophobicContact CB-CE2 4.23Å; A1090-F1092 WeakPolarHBondContact O-CD2 3.26Å; A1090-F1092 VanDerWaalsContact O-CE2 3.28Å; A1090-F1092 WeakPolarHBondContact O-CE2 3.42Å |
| 1093 | K | 82 | Confident | 70.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.6 | 172.2 | -174.1 | 154.7 | -176.7 | 165.7 | 0 | 110.6 | T1056 M1084 | T1056-K1093 HydrophobicContact CG2-CB 4.22Å; T1056-K1093 HydrophobicContact CG2-CG 4.34Å; M1084-K1093 PolarHBondContact N-O 2.78Å; M1084-K1093 PolarHBondContact O-N 2.97Å |
| 1094 | V | 85.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.3 | -180 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | Q1054 F1055 V1057 I1069 I1071 K1082 V1083 | Q1054-V1094 VanDerWaalsContact CA-O 3.31Å; Q1054-V1094 WeakPolarHBondContact CA-O 3.38Å; F1055-V1094 HydrophobicContact CD1-CB 4.16Å; F1055-V1094 HydrophobicContact CD1-CG1 4.44Å; F1055-V1094 HydrophobicContact CD2-CB 4.03Å; F1055-V1094 HydrophobicContact CD2-CG2 4.22Å; F1055-V1094 HydrophobicContact CE1-CB 3.8Å; F1055-V1094 HydrophobicContact CE1-CG1 3.64Å; F1055-V1094 HydrophobicContact CE2-CB 3.65Å; F1055-V1094 HydrophobicContact CE2-CG1 4.04Å; F1055-V1094 HydrophobicContact CE2-CG2 3.69Å; F1055-V1094 HydrophobicContact CG-CB 4.27Å; F1055-V1094 HydrophobicContact CZ-CB 3.53Å; F1055-V1094 HydrophobicContact CZ-CG1 3.41Å; F1055-V1094 VanDerWaalsContact CZ-CG1 3.41Å; F1055-V1094 HydrophobicContact CZ-CG2 3.96Å; F1055-V1094 PolarHBondContact N-O 2.91Å; F1055-V1094 PolarHBondContact O-N 3.22Å; V1057-V1094 HydrophobicContact CG2-CG2 3.78Å; I1069-V1094 HydrophobicContact CD1-CG2 3.55Å; I1069-V1094 HydrophobicContact CG2-CG1 4.34Å; I1071-V1094 HydrophobicContact CD1-CG1 4.42Å; K1082-V1094 CarbonylContact O-C 3.54Å; K1082-V1094 WeakPolarHBondContact O-CA 3.41Å; V1083-V1094 HydrophobicContact CG1-CG2 4.38Å; V1083-V1094 HydrophobicContact CG2-CG1 4.27Å; V1083-V1094 HydrophobicContact CG2-CG2 4.27Å |
| 1095 | S | 85.8 | Confident | 72.7 | Confident | 20 Ų | 20 | 60 Ų | 60 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.1 | 170.4 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | V1053 S1081 K1082 | V1053-S1095 CarbonylContact O-C 3.53Å; V1053-S1095 WeakPolarHBondContact O-CA 3.49Å; V1053-S1095 WeakPolarHBondContact O-CB 3.09Å; S1081-S1095 CarbonylContact C-O 3.57Å; S1081-S1095 VanDerWaalsContact CA-O 3.31Å; S1081-S1095 WeakPolarHBondContact CA-O 3.41Å; K1082-S1095 PolarHBondContact N-O 2.81Å; K1082-S1095 PolarHBondContact O-N 3.32Å; K1082-S1095 PolarHBondContact O-OG 3.16Å |
| 1096 | F | 89.6 | Confident | 74.4 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.022 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 150 | 172.4 | 73.4 | -79.9 | 0 | 0 | 0 | 111 | P1052 V1053 F1055 I1071 V1079 P1080 P1098 H1104 I1106 C1122 | P1052-F1096 CarbonylContact C-O 3.52Å; P1052-F1096 WeakPolarHBondContact CA-O 3.47Å; V1053-F1096 HydrophobicContact CB-CD1 3.77Å; V1053-F1096 HydrophobicContact CB-CE1 3.45Å; V1053-F1096 VanDerWaalsContact CB-CE1 3.45Å; V1053-F1096 HydrophobicContact CB-CG 4.45Å; V1053-F1096 HydrophobicContact CB-CZ 3.87Å; V1053-F1096 HydrophobicContact CG1-CD1 4.18Å; V1053-F1096 HydrophobicContact CG1-CE1 3.54Å; V1053-F1096 HydrophobicContact CG1-CZ 4.12Å; V1053-F1096 HydrophobicContact CG2-CD1 4.42Å; V1053-F1096 HydrophobicContact CG2-CE1 3.85Å; V1053-F1096 HydrophobicContact CG2-CE2 4.14Å; V1053-F1096 HydrophobicContact CG2-CZ 3.69Å; V1053-F1096 PolarHBondContact N-O 2.95Å; V1053-F1096 PolarHBondContact O-N 2.92Å; F1055-F1096 HydrophobicContact CD1-CE1 4.41Å; F1055-F1096 HydrophobicContact CE1-CD1 4.03Å; F1055-F1096 HydrophobicContact CE1-CE1 4.02Å; I1071-F1096 HydrophobicContact CD1-CB 3.97Å; I1071-F1096 HydrophobicContact CD1-CD1 3.27Å; I1071-F1096 HydrophobicContact CD1-CD2 4.44Å; I1071-F1096 HydrophobicContact CD1-CE1 3.75Å; I1071-F1096 HydrophobicContact CD1-CG 3.66Å; I1071-F1096 HydrophobicContact CG2-CD1 4.36Å; I1071-F1096 HydrophobicContact CG2-CD2 4Å; I1071-F1096 HydrophobicContact CG2-CE1 4.2Å; I1071-F1096 HydrophobicContact CG2-CE2 3.85Å; I1071-F1096 HydrophobicContact CG2-CG 4.25Å; I1071-F1096 HydrophobicContact CG2-CZ 3.95Å; V1079-F1096 HydrophobicContact CG1-CD2 3.97Å; P1080-F1096 WeakPolarHBondContact O-CB 3.38Å; F1096-P1098 HydrophobicContact CD2-CB 4.39Å; F1096-P1098 HydrophobicContact CE2-CB 4.03Å; F1096-P1098 HydrophobicContact CE2-CG 4.26Å; F1096-P1098 WeakPolarHBondContact O-CD 3.38Å; F1096-H1104 HydrophobicContact CE2-CB 4.23Å; F1096-H1104 AromaticContact CE2-CD2 3.9Å; F1096-H1104 HydrophobicContact CZ-CB 4.3Å; F1096-I1106 HydrophobicContact CE1-CD1 4.01Å; F1096-I1106 HydrophobicContact CE1-CG1 4.35Å; F1096-I1106 HydrophobicContact CZ-CD1 4.41Å; F1096-C1122 HydrophobicContact CZ-CB 4.12Å |
| 1097 | S | 83 | Confident | 76.2 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | trans | -108.8 | 98.6 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | Q1099 | S1097-Q1099 PolarHBondContact O-N 2.8Å; S1097-Q1099 PolarHBondContact O-NE2 2.8Å | ||
| 1098 | P | 79.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -65.8 | 130.4 | -178 | 26.8 | -34.5 | 0 | 0 | 0 | 111.7 | G1050 K1051 V1053 F1096 V1124 | G1050-P1098 PolarHBondContact N-O 2.94Å; K1051-P1098 WeakPolarHBondContact O-CD 3.29Å; V1053-P1098 HydrophobicContact CG2-CG 4.21Å; F1096-P1098 HydrophobicContact CD2-CB 4.39Å; F1096-P1098 HydrophobicContact CE2-CB 4.03Å; F1096-P1098 HydrophobicContact CE2-CG 4.26Å; F1096-P1098 WeakPolarHBondContact O-CD 3.38Å; P1098-V1124 HydrophobicContact CB-CB 4.35Å; P1098-V1124 HydrophobicContact CB-CG1 3.91Å; P1098-V1124 HydrophobicContact CB-CG2 3.7Å; P1098-V1124 HydrophobicContact CG-CB 4.38Å; P1098-V1124 HydrophobicContact CG-CG1 3.71Å; P1098-V1124 HydrophobicContact CG-CG2 3.71Å | ||
| 1099 | Q | 80.6 | Confident | 80.3 | Confident | 137 Ų | 137 | 44 Ų | 44 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | trans | -93.6 | -5.5 | -174.7 | -59.1 | -59.3 | -55.7 | 0 | 0 | 113.6 | S1097 | S1097-Q1099 PolarHBondContact O-N 2.8Å; S1097-Q1099 PolarHBondContact O-NE2 2.8Å | ||
| 1100 | R | 74.8 | Confident | 81.7 | Confident | 124 Ų | 124 | 39.6 Ų | 39.6 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -140.9 | 151.8 | -176.7 | -69 | 175.5 | 178.7 | 151.6 | -2.7 | 110.1 | V1049 D1073 T1077 H1104 V1124 | V1049-R1100 VanDerWaalsContact CG2-C 3.45Å; D1073-R1100 WeakPolarHBondContact OD2-CD 3.45Å; D1073-R1100 IonicContact OD2-CZ 3.22Å; D1073-R1100 IonicContact OD2-NE 2.77Å; D1073-R1100 IonicContact OD2-NH1 2.69Å; D1073-R1100 PolarHBondContact OD2-NH1 2.69Å; T1077-R1100 PolarHBondContact OG1-NH1 2.93Å; R1100-H1104 PolarHBondContact O-CE1 2.72Å; R1100-H1104 VanDerWaalsContact O-CE1 3.31Å; R1100-V1124 WeakPolarHBondContact O-CG1 3.19Å |
| 1101 | P | 80.2 | Confident | 82 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -70.1 | 162.2 | 163.9 | 33.3 | -33.2 | 0 | 0 | 0 | 109.5 | V1049 V1124 E1126 | V1049-P1101 HydrophobicContact CG2-CB 4.16Å; V1049-P1101 HydrophobicContact CG2-CG 4.47Å; V1049-P1101 VanDerWaalsContact CG2-N 3.32Å; P1101-V1124 WeakPolarHBondContact CA-O 3.23Å; P1101-E1126 HydrophobicContact CB-CB 4.3Å |
| 1102 | G | 78.9 | Confident | 81.7 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 19% | 0.186 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.3 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1074 H1104 V1124 | E1074-G1102 WeakPolarHBondContact OE2-CA 3.4Å; G1102-H1104 PolarHBondContact O-ND1 2.77Å; G1102-V1124 PolarHBondContact N-O 2.88Å; G1102-V1124 PolarHBondContact O-N 3.1Å |
| 1103 | K | 83.3 | Confident | 81 | Confident | 127 Ų | 127 | 40.1 Ų | 40.1 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.7 | 177.1 | -76.9 | 176.1 | 179.1 | 175.1 | 0 | 110.6 | D1073 E1074 V1121 N1123 | D1073-K1103 CarbonylContact C-O 3.59Å; E1074-K1103 WeakPolarHBondContact CA-O 3.39Å; E1074-K1103 PolarHBondContact N-O 3.1Å; E1074-K1103 VanDerWaalsContact N-O 3.1Å; E1074-K1103 PolarHBondContact OE2-N 2.87Å; K1103-V1121 HydrophobicContact CB-CG1 4.11Å; K1103-V1121 HydrophobicContact CD-CG1 4.24Å; K1103-V1121 HydrophobicContact CG-CG1 3.9Å; K1103-N1123 WeakPolarHBondContact CG-OD1 3.34Å |
| 1104 | H | 87.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.9 | 171.2 | -72.2 | 59.3 | 0 | 0 | 0 | 109.6 | K1072 F1096 R1100 G1102 C1122 V1124 | K1072-H1104 CarbonylContact O-C 3.59Å; K1072-H1104 WeakPolarHBondContact O-CA 3.46Å; F1096-H1104 HydrophobicContact CE2-CB 4.23Å; F1096-H1104 AromaticContact CE2-CD2 3.9Å; F1096-H1104 HydrophobicContact CZ-CB 4.3Å; R1100-H1104 PolarHBondContact O-CE1 2.72Å; R1100-H1104 VanDerWaalsContact O-CE1 3.31Å; G1102-H1104 PolarHBondContact O-ND1 2.77Å; H1104-C1122 HydrophobicContact CB-CB 4.37Å; H1104-C1122 PolarHBondContact N-O 3.08Å; H1104-C1122 PolarHBondContact O-N 2.67Å; H1104-V1124 WeakPolarHBondContact ND1-CG2 3.31Å |
| 1105 | G | 87.2 | Confident | 80.8 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1071 K1072 | I1071-G1105 CarbonylContact C-O 3.56Å; I1071-G1105 WeakPolarHBondContact CA-O 3.26Å; K1072-G1105 PolarHBondContact N-O 3.42Å; K1072-G1105 PolarHBondContact O-N 2.88Å |
| 1106 | I | 91.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 96.1 | 177.9 | -63.1 | 161.2 | 0 | 0 | 0 | 107.1 | I1041 I1044 F1055 I1071 F1096 V1108 P1119 F1120 C1122 | I1041-I1106 HydrophobicContact CD1-CG2 4.38Å; I1044-I1106 HydrophobicContact CD1-CD1 3.79Å; I1044-I1106 HydrophobicContact CG1-CD1 4.2Å; I1044-I1106 HydrophobicContact CG2-CD1 3.96Å; F1055-I1106 HydrophobicContact CD1-CD1 4.17Å; F1055-I1106 HydrophobicContact CE1-CD1 3.79Å; F1055-I1106 HydrophobicContact CE1-CG1 4.28Å; F1055-I1106 HydrophobicContact CE1-CG2 4.16Å; F1055-I1106 HydrophobicContact CE2-CG2 3.83Å; F1055-I1106 HydrophobicContact CZ-CD1 4.16Å; F1055-I1106 HydrophobicContact CZ-CG1 4.36Å; F1055-I1106 HydrophobicContact CZ-CG2 3.42Å; F1055-I1106 VanDerWaalsContact CZ-CG2 3.42Å; I1071-I1106 HydrophobicContact CD1-CG1 4.19Å; I1071-I1106 HydrophobicContact CG1-CG1 4.16Å; I1071-I1106 HydrophobicContact CG1-CG2 4.44Å; I1071-I1106 HydrophobicContact CG2-CG1 4.06Å; F1096-I1106 HydrophobicContact CE1-CD1 4.01Å; F1096-I1106 HydrophobicContact CE1-CG1 4.35Å; F1096-I1106 HydrophobicContact CZ-CD1 4.41Å; I1106-V1108 HydrophobicContact CG2-CG2 4.16Å; I1106-P1119 CarbonylContact O-C 3.47Å; I1106-P1119 VanDerWaalsContact O-CA 3.26Å; I1106-P1119 WeakPolarHBondContact O-CA 3.45Å; I1106-F1120 HydrophobicContact CB-CB 4.34Å; I1106-F1120 WeakPolarHBondContact CB-O 3.32Å; I1106-F1120 PolarHBondContact N-O 3.49Å; I1106-F1120 PolarHBondContact O-N 3.34Å; I1106-C1122 HydrophobicContact CD1-CB 3.97Å |
| 1107 | H | 86.7 | Confident | 79.2 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.9 | 173.9 | -58.8 | -101.3 | 0 | 0 | 0 | 108.9 | I1069 A1070 | I1069-H1107 WeakPolarHBondContact CA-O 3.24Å; A1070-H1107 HydrophobicContact CB-CB 4.47Å; A1070-H1107 PolarHBondContact N-O 2.88Å; A1070-H1107 WeakPolarHBondContact O-CB 3.28Å; A1070-H1107 PolarHBondContact O-N 2.87Å |
| 1108 | V | 87 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.2 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | I1041 V1057 L1067 E1068 I1069 I1106 I1115 S1118 | I1041-V1108 HydrophobicContact CD1-CB 4.31Å; I1041-V1108 HydrophobicContact CD1-CG2 3.56Å; V1057-V1108 HydrophobicContact CG1-CG1 4.29Å; L1067-V1108 HydrophobicContact CD1-CG1 3.66Å; E1068-V1108 WeakPolarHBondContact O-CA 3.31Å; I1069-V1108 HydrophobicContact CB-CG2 4.4Å; I1069-V1108 HydrophobicContact CG1-CG1 4.29Å; I1069-V1108 HydrophobicContact CG1-CG2 4.01Å; I1069-V1108 HydrophobicContact CG2-CG2 4.06Å; I1106-V1108 HydrophobicContact CG2-CG2 4.16Å; V1108-I1115 HydrophobicContact CB-CD1 3.88Å; V1108-I1115 HydrophobicContact CB-CG1 4.01Å; V1108-I1115 HydrophobicContact CG1-CD1 3.63Å; V1108-I1115 HydrophobicContact CG1-CG1 4.03Å; V1108-I1115 HydrophobicContact CG1-CG2 4.29Å; V1108-I1115 PolarHBondContact O-N 2.96Å; V1108-S1118 PolarHBondContact N-OG 3.48Å; V1108-S1118 WeakPolarHBondContact O-CB 3.29Å; V1108-S1118 PolarHBondContact O-OG 2.98Å |
| 1109 | T | 79.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.4 | -179.7 | 28.4 | 0 | 0 | 0 | 0 | 110 | L1067 E1068 E1113 C1114 | L1067-T1109 WeakPolarHBondContact CA-O 3.45Å; E1068-T1109 WeakPolarHBondContact CB-OG1 3.32Å; E1068-T1109 PolarHBondContact N-O 3.42Å; E1068-T1109 PolarHBondContact O-N 2.98Å; T1109-E1113 CarbonylContact C-O 3.54Å; T1109-E1113 VanDerWaalsContact CA-O 3.24Å; T1109-E1113 WeakPolarHBondContact CA-O 3.21Å; T1109-C1114 HydrophobicContact CG2-CB 4.43Å; T1109-C1114 VanDerWaalsContact CG2-SG 3.6Å |
| 1110 | F | 79 | Confident | 79.4 | Confident | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.8 | 178.4 | -169.1 | -109.4 | 0 | 0 | 0 | 109.2 | Y1034 V1039 A1059 A1062 G1065 D1066 L1067 G1112 E1113 I1115 | Y1034-F1110 HydrophobicContact CD2-CD1 4.45Å; V1039-F1110 HydrophobicContact CG2-CB 3.99Å; V1039-F1110 HydrophobicContact CG2-CD1 3.97Å; V1039-F1110 HydrophobicContact CG2-CD2 4.06Å; V1039-F1110 HydrophobicContact CG2-CE1 4.45Å; V1039-F1110 HydrophobicContact CG2-CG 3.74Å; A1059-F1110 HydrophobicContact CB-CE2 4.04Å; A1059-F1110 HydrophobicContact CB-CZ 4.48Å; A1062-F1110 HydrophobicContact CB-CD1 4.18Å; A1062-F1110 HydrophobicContact CB-CE1 3.6Å; A1062-F1110 HydrophobicContact CB-CZ 3.82Å; G1065-F1110 VanDerWaalsContact O-CE2 3.28Å; G1065-F1110 WeakPolarHBondContact O-CE2 3.44Å; D1066-F1110 CarbonylContact O-C 3.59Å; D1066-F1110 VanDerWaalsContact O-CA 3.28Å; D1066-F1110 WeakPolarHBondContact O-CA 3.43Å; L1067-F1110 HydrophobicContact CB-CD2 4.04Å; L1067-F1110 HydrophobicContact CB-CE2 4.44Å; L1067-F1110 HydrophobicContact CD1-CB 4.41Å; L1067-F1110 HydrophobicContact CD1-CD2 3.85Å; F1110-G1112 PolarHBondContact O-N 3.31Å; F1110-E1113 PolarHBondContact N-O 2.88Å; F1110-E1113 PolarHBondContact O-N 2.88Å; F1110-I1115 HydrophobicContact CB-CG2 3.9Å |
| 1111 | N | 72.5 | Confident | 79.9 | Confident | 57 Ų | 57 | 41 Ų | 41 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 30.9 | -162.9 | -73.5 | -30.9 | 0 | 0 | 0 | 113.4 | Y1034 H1064 G1065 D1066 E1113 | Y1034-N1111 VanDerWaalsContact CD1-ND2 3.31Å; Y1034-N1111 WeakPolarHBondContact CD1-ND2 3.31Å; Y1034-N1111 WeakPolarHBondContact CD2-ND2 3.42Å; Y1034-N1111 WeakPolarHBondContact CE1-ND2 3.38Å; Y1034-N1111 HydrophobicContact CE2-CB 3.97Å; Y1034-N1111 VanDerWaalsContact CG-ND2 3.3Å; H1064-N1111 PolarHBondContact O-ND2 2.83Å; G1065-N1111 VanDerWaalsContact CA-CG 3.41Å; G1065-N1111 WeakPolarHBondContact CA-ND2 3.24Å; G1065-N1111 WeakPolarHBondContact CA-OD1 3.29Å; D1066-N1111 PolarHBondContact N-OD1 3.31Å; D1066-N1111 VanDerWaalsContact N-OD1 3.11Å; D1066-N1111 PolarHBondContact O-N 2.9Å; N1111-E1113 PolarHBondContact O-N 3.01Å |
| 1112 | G | 62.9 | Low | 80.2 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -7.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1110 | F1110-G1112 PolarHBondContact O-N 3.31Š|
| 1113 | E | 65.5 | Low | 80.5 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.8 | 176.2 | -60.4 | -158.8 | 122.5 | 0 | 0 | 111.6 | Q628 P1036 T1109 F1110 N1111 I1115 | Q628-E1113 HydrophobicContact CG-CG 4.21Å; P1036-E1113 HydrophobicContact CG-CB 4.42Å; T1109-E1113 CarbonylContact C-O 3.54Å; T1109-E1113 VanDerWaalsContact CA-O 3.24Å; T1109-E1113 WeakPolarHBondContact CA-O 3.21Å; F1110-E1113 PolarHBondContact N-O 2.88Å; F1110-E1113 PolarHBondContact O-N 2.88Å; N1111-E1113 PolarHBondContact O-N 3.01Å; E1113-I1115 PolarHBondContact O-N 3.5Å |
| 1114 | C | 75.3 | Confident | 80.6 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 123.8 | 176.4 | -75.5 | 0 | 0 | 0 | 0 | 110.4 | T1109 | T1109-C1114 HydrophobicContact CG2-CB 4.43Å; T1109-C1114 VanDerWaalsContact CG2-SG 3.6Å |
| 1115 | I | 87.5 | Confident | 79.9 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 152.2 | -179.6 | 72.9 | 169.3 | 0 | 0 | 0 | 110.8 | P1036 V1039 I1041 V1108 F1110 E1113 G1117 S1118 F1120 | P1036-I1115 HydrophobicContact CB-CG2 4.48Å; V1039-I1115 HydrophobicContact CB-CB 4.19Å; V1039-I1115 HydrophobicContact CB-CD1 4.08Å; V1039-I1115 HydrophobicContact CB-CG2 3.73Å; V1039-I1115 HydrophobicContact CG1-CD1 3.63Å; V1039-I1115 HydrophobicContact CG1-CG2 4.02Å; V1039-I1115 HydrophobicContact CG2-CG2 3.99Å; I1041-I1115 HydrophobicContact CD1-CD1 4.33Å; I1041-I1115 HydrophobicContact CG1-CD1 4.48Å; V1108-I1115 HydrophobicContact CB-CD1 3.88Å; V1108-I1115 HydrophobicContact CB-CG1 4.01Å; V1108-I1115 HydrophobicContact CG1-CD1 3.63Å; V1108-I1115 HydrophobicContact CG1-CG1 4.03Å; V1108-I1115 HydrophobicContact CG1-CG2 4.29Å; V1108-I1115 PolarHBondContact O-N 2.96Å; F1110-I1115 HydrophobicContact CB-CG2 3.9Å; E1113-I1115 PolarHBondContact O-N 3.5Å; I1115-G1117 PolarHBondContact O-N 2.72Å; I1115-S1118 WeakPolarHBondContact O-CB 3.36Å; I1115-S1118 PolarHBondContact O-N 2.99Å; I1115-F1120 HydrophobicContact CD1-CE2 3.96Å; I1115-F1120 HydrophobicContact CD1-CZ 4.28Å; I1115-F1120 HydrophobicContact CG1-CE2 3.98Å; I1115-F1120 HydrophobicContact CG1-CZ 4.38Å |
| 1116 | P | 70.8 | Confident | 78.9 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.9 | -178.5 | -30.2 | 39 | 0 | 0 | 0 | 112.9 | D1037 F1120 | D1037-P1116 HydrophobicContact CB-CG 4.16Å; D1037-P1116 WeakPolarHBondContact OD1-CG 3.09Å; P1116-F1120 VanDerWaalsContact O-CZ 3.23Å; P1116-F1120 WeakPolarHBondContact O-CZ 3.23Å |
| 1117 | G | 70.7 | Confident | 76.8 | Confident | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -8.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | I1115 P1119 F1120 | I1115-G1117 PolarHBondContact O-N 2.72Å; G1117-P1119 CarbonylContact O-C 3.55Å; G1117-F1120 WeakPolarHBondContact O-CG 3.32Å; G1117-F1120 PolarHBondContact O-N 2.83Å |
| 1118 | S | 80.8 | Confident | 74.4 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 131.4 | 172.1 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | V1108 I1115 | V1108-S1118 PolarHBondContact N-OG 3.48Å; V1108-S1118 WeakPolarHBondContact O-CB 3.29Å; V1108-S1118 PolarHBondContact O-OG 2.98Å; I1115-S1118 WeakPolarHBondContact O-CB 3.36Å; I1115-S1118 PolarHBondContact O-N 2.99Å |
| 1119 | P | 79.7 | Confident | 71.6 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | S | Bend | cis | -81.2 | 131 | -3.5 | 31.3 | -32.7 | 0 | 0 | 0 | 113.5 | I1106 G1117 | I1106-P1119 CarbonylContact O-C 3.47Å; I1106-P1119 VanDerWaalsContact O-CA 3.26Å; I1106-P1119 WeakPolarHBondContact O-CA 3.45Å; G1117-P1119 CarbonylContact O-C 3.55Å |
| 1120 | F | 86.8 | Confident | 69.2 | Low | 42 Ų | 42 | 72.6 Ų | 72.6 | 18% | 0.184 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143 | 174.7 | -57.8 | -96.8 | 0 | 0 | 0 | 110.4 | I1041 I1044 I1106 I1115 P1116 G1117 | I1041-F1120 HydrophobicContact CB-CD1 4.44Å; I1041-F1120 HydrophobicContact CB-CD2 4.37Å; I1041-F1120 HydrophobicContact CB-CE1 3.96Å; I1041-F1120 HydrophobicContact CB-CE2 3.91Å; I1041-F1120 HydrophobicContact CB-CZ 3.67Å; I1041-F1120 HydrophobicContact CD1-CD2 3.53Å; I1041-F1120 HydrophobicContact CD1-CE2 3.52Å; I1041-F1120 HydrophobicContact CD1-CG 4.27Å; I1041-F1120 HydrophobicContact CD1-CZ 4.23Å; I1041-F1120 HydrophobicContact CG1-CE2 4.24Å; I1041-F1120 HydrophobicContact CG1-CZ 4.49Å; I1041-F1120 HydrophobicContact CG2-CD1 3.52Å; I1041-F1120 HydrophobicContact CG2-CD2 4.03Å; I1041-F1120 HydrophobicContact CG2-CE1 3.43Å; I1041-F1120 VanDerWaalsContact CG2-CE1 3.43Å; I1041-F1120 HydrophobicContact CG2-CE2 3.98Å; I1041-F1120 HydrophobicContact CG2-CG 3.82Å; I1041-F1120 HydrophobicContact CG2-CZ 3.67Å; I1044-F1120 HydrophobicContact CD1-CB 3.38Å; I1044-F1120 HydrophobicContact CD1-CD1 4.28Å; I1044-F1120 HydrophobicContact CD1-CD2 4.47Å; I1044-F1120 HydrophobicContact CD1-CG 3.83Å; I1106-F1120 HydrophobicContact CB-CB 4.34Å; I1106-F1120 WeakPolarHBondContact CB-O 3.32Å; I1106-F1120 PolarHBondContact N-O 3.49Å; I1106-F1120 PolarHBondContact O-N 3.34Å; I1115-F1120 HydrophobicContact CD1-CE2 3.96Å; I1115-F1120 HydrophobicContact CD1-CZ 4.28Å; I1115-F1120 HydrophobicContact CG1-CE2 3.98Å; I1115-F1120 HydrophobicContact CG1-CZ 4.38Å; P1116-F1120 VanDerWaalsContact O-CZ 3.23Å; P1116-F1120 WeakPolarHBondContact O-CZ 3.23Å; G1117-F1120 WeakPolarHBondContact O-CG 3.32Å; G1117-F1120 PolarHBondContact O-N 2.83Å |
| 1121 | V | 84.5 | Confident | 66.8 | Low | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.8 | -173.2 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | K1103 | K1103-V1121 HydrophobicContact CB-CG1 4.11Å; K1103-V1121 HydrophobicContact CD-CG1 4.24Å; K1103-V1121 HydrophobicContact CG-CG1 3.9Å |
| 1122 | C | 86.5 | Confident | 64.9 | Low | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.007 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 115.4 | 165.4 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | I1044 V1045 F1096 H1104 I1106 | I1044-C1122 HydrophobicContact CG2-CB 4.1Å; V1045-C1122 PolarHBondContact O-SG 3.18Å; F1096-C1122 HydrophobicContact CZ-CB 4.12Å; H1104-C1122 HydrophobicContact CB-CB 4.37Å; H1104-C1122 PolarHBondContact N-O 3.08Å; H1104-C1122 PolarHBondContact O-N 2.67Å; I1106-C1122 HydrophobicContact CD1-CB 3.97Å |
| 1123 | N | 86 | Confident | 63.1 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.3 | 169.6 | -76.9 | -52.4 | 0 | 0 | 0 | 110.3 | S1046 S1047 K1103 | S1046-N1123 VanDerWaalsContact CA-O 3.26Å; S1046-N1123 WeakPolarHBondContact CA-O 3.48Å; S1046-N1123 WeakPolarHBondContact CB-O 3.38Å; S1047-N1123 PolarHBondContact N-O 2.85Å; S1047-N1123 VanDerWaalsContact N-O 3.09Å; K1103-N1123 WeakPolarHBondContact CG-OD1 3.34Å |
| 1124 | V | 85.2 | Confident | 61 | Low | 8 Ų | 8 | 93.9 Ų | 93.9 | 5% | 0.048 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.8 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | S1047 V1049 P1098 R1100 P1101 G1102 H1104 | S1047-V1124 WeakPolarHBondContact O-CA 3.43Å; V1049-V1124 HydrophobicContact CG2-CG1 4.2Å; P1098-V1124 HydrophobicContact CB-CB 4.35Å; P1098-V1124 HydrophobicContact CB-CG1 3.91Å; P1098-V1124 HydrophobicContact CB-CG2 3.7Å; P1098-V1124 HydrophobicContact CG-CB 4.38Å; P1098-V1124 HydrophobicContact CG-CG1 3.71Å; P1098-V1124 HydrophobicContact CG-CG2 3.71Å; R1100-V1124 WeakPolarHBondContact O-CG1 3.19Å; P1101-V1124 WeakPolarHBondContact CA-O 3.23Å; G1102-V1124 PolarHBondContact N-O 2.88Å; G1102-V1124 PolarHBondContact O-N 3.1Å; H1104-V1124 WeakPolarHBondContact ND1-CG2 3.31Å |
| 1125 | K | 73.1 | Confident | 59 | Low | 146 Ų | 146 | 94.7 Ų | 94.7 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 159.1 | 178.5 | -67.1 | -177 | 178.8 | -178.1 | 0 | 112 | S1047 T1048 V1049 | S1047-K1125 PolarHBondContact O-N 2.9Å; T1048-K1125 CarbonylContact C-O 3.59Å; T1048-K1125 WeakPolarHBondContact CA-O 3.46Å; T1048-K1125 HydrophobicContact CG2-CB 4.03Å; V1049-K1125 WeakPolarHBondContact CG2-O 3.28Å; V1049-K1125 PolarHBondContact N-O 2.66Å |
| 1126 | E | 65.9 | Low | 56 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | trans | -72.1 | 158.9 | 177.5 | -154.2 | 151 | -136.6 | 0 | 0 | 111.9 | P1101 | P1101-E1126 HydrophobicContact CB-CB 4.3Š| ||
| 1127 | S | 46.8 | Very low | 53.9 | Low | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | trans | -101.8 | 100 | -167.2 | -163.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1128 | E | 36.5 | Very low | 51.9 | Low | 195 Ų | 195 | 103 Ų | 103 | 91% | 0.911 | 56% | 0.558 | S | S | * | * | trans | -74.7 | 155.6 | 173.5 | -65.9 | -171.5 | 147.5 | 0 | 0 | 112.2 | ||||
| 1129 | T | 28.9 | Very low | 49.4 | Very low | 128 Ų | 128 | 106.6 Ų | 106.6 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -126.2 | 141 | -168.5 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1130 | K | 28 | Very low | 46.9 | Very low | 199 Ų | 199 | 108 Ų | 108 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | trans | 79.7 | 152.8 | 163 | -79.7 | -171 | 175.8 | -178.5 | 0 | 117.3 | ||||
| 1131 | P | 28.5 | Very low | 44 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | -135.7 | -144.5 | -89.3 | 39 | -14.3 | 0 | 0 | 0 | 112.5 | |||||
| 1132 | P | 33.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 113.8 Ų | 113.8 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | -110.7 | 146.8 | -120.6 | 33.9 | -14.9 | 0 | 0 | 0 | 114.8 | |||||
| 1133 | Y | 24.3 | Very low | 38.4 | Very low | 199 Ų | 199 | 123.1 Ų | 123.1 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | trans | -150.1 | 119.3 | 169.5 | -137.6 | -97.3 | 0 | 0 | 0 | 114.6 | ||||
| 1134 | E | 23 | Very low | 35.7 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | 51 | 166.6 | 155.6 | -69.9 | 179.1 | -168.4 | 0 | 0 | 122.6 | ||||
| 1135 | S | 31.7 | Very low | 32.9 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | -140.9 | 137.3 | -160.3 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1136 | S | 24.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -157.3 | 129.7 | 168.9 | 55 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1137 | T | 26.8 | Very low | 28.9 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | 60.4 | 150.1 | 56.5 | 72.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1138 | P | 30 | Very low | 28.1 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | cis | -144.9 | 171.6 | -39.5 | 40.5 | -24 | 0 | 0 | 0 | 115.1 | ||||
| 1139 | A | 27.6 | Very low | 27.8 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 55.6 | 166.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1140 | A | 26.9 | Very low | 28.4 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 79 | 146.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1141 | D | 26.9 | Very low | 29.6 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | cis | -150.4 | 159.9 | 11.3 | -157.6 | 17.2 | 0 | 0 | 0 | 114.7 | ||||
| 1142 | V | 26.2 | Very low | 31 | Very low | 101 Ų | 101 | 126 Ų | 126 | 61% | 0.612 | 71% | 0.713 | S | S | * | * | trans | 54.2 | 130.1 | 151.2 | 158 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1143 | R | 27.7 | Very low | 32.6 | Very low | 197 Ų | 197 | 121.1 Ų | 121.1 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | cis | -164.6 | 147.4 | -2.1 | -109.6 | 171.7 | -161.8 | -178.2 | 8.6 | 112.3 | ||||
| 1144 | Q | 28.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | 59.5 | 147.9 | 144.9 | -68.7 | 173.1 | -83.4 | 0 | 0 | 119.9 | ||||
| 1145 | D | 26.8 | Very low | 37.7 | Very low | 137 Ų | 137 | 108.4 Ų | 108.4 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | cis | -139.7 | 176.6 | 23.5 | -132.2 | -19.3 | 0 | 0 | 0 | 117 | ||||
| 1146 | V | 28.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 107.6 Ų | 107.6 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | trans | -76 | 138.9 | -156.1 | 173.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1147 | R | 25.9 | Very low | 41.4 | Very low | 233 Ų | 233 | 106.6 Ų | 106.6 | 88% | 0.879 | 62% | 0.617 | S | S | * | * | trans | -157.5 | 161.5 | 135.1 | -105.2 | 161 | -144.7 | -111.8 | 2.5 | 110.6 | ||||
| 1148 | P | 30.4 | Very low | 43.4 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 139.6 | -157.5 | 27.6 | -35.3 | 0 | 0 | 0 | 114.3 | ||
| 1149 | A | 30.3 | Very low | 45.8 | Very low | 101 Ų | 101 | 106.3 Ų | 106.3 | 84% | 0.835 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 138.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1150 | V | 42.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 102.6 Ų | 102.6 | 75% | 0.745 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 144.3 | 164.1 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | S1152 | V1150-S1152 PolarHBondContact O-N 3.47Å; V1150-S1152 VanDerWaalsContact O-N 3.12Å |
| 1151 | I | 52.8 | Low | 50.7 | Low | 84 Ų | 84 | 105.7 Ų | 105.7 | 43% | 0.431 | 56% | 0.564 | S | S | . | * | trans | -68.9 | 109.7 | 175.2 | -59.2 | 175.1 | 0 | 0 | 0 | 108.6 | A1177 | I1151-A1177 HydrophobicContact CG2-CB 3.89Š| ||
| 1152 | S | 56.9 | Low | 53.4 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | trans | -88.9 | 131.1 | 173 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | V1150 S1176 | V1150-S1152 PolarHBondContact O-N 3.47Å; V1150-S1152 VanDerWaalsContact O-N 3.12Å; S1152-S1176 PolarHBondContact N-OG 3.31Å; S1152-S1176 VanDerWaalsContact N-OG 3.12Å; S1152-S1176 PolarHBondContact O-N 3.31Å; S1152-S1176 PolarHBondContact O-OG 2.86Å; S1152-S1176 PolarHBondContact OG-OG 2.98Å | ||
| 1153 | A | 68.3 | Low | 56.2 | Low | 10 Ų | 10 | 98.6 Ų | 98.6 | 8% | 0.083 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | A1174 V1224 V1229 T1230 | A1153-A1174 CarbonylContact C-O 3.59Å; A1153-A1174 WeakPolarHBondContact CA-O 3.3Å; A1153-V1224 HydrophobicContact CB-CB 4.2Å; A1153-V1224 HydrophobicContact CB-CG1 4.49Å; A1153-V1224 HydrophobicContact CB-CG2 4.09Å; A1153-V1229 HydrophobicContact CB-CG2 4.1Å; A1153-T1230 PolarHBondContact O-N 3.03Å |
| 1154 | T | 76.5 | Confident | 58.9 | Low | 63 Ų | 63 | 89.9 Ų | 89.9 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146.2 | -173.4 | 45.8 | 0 | 0 | 0 | 0 | 110 | S1156 A1174 | T1154-S1156 PolarHBondContact O-N 2.85Å; T1154-A1174 PolarHBondContact N-O 2.87Å; T1154-A1174 PolarHBondContact O-N 3.02Å |
| 1155 | V | 78.1 | Confident | 61.6 | Low | 29 Ų | 29 | 83.2 Ų | 83.2 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 129.7 | 166.5 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | D1157 L1159 F1171 H1172 V1229 L1232 | V1155-D1157 WeakPolarHBondContact CG1-O 3.29Å; V1155-L1159 HydrophobicContact CG1-CD2 3.88Å; V1155-L1159 HydrophobicContact CG1-CG 4.01Å; V1155-L1159 HydrophobicContact CG2-CD1 4.4Å; V1155-L1159 HydrophobicContact CG2-CD2 4.3Å; V1155-L1159 HydrophobicContact CG2-CG 4.5Å; V1155-F1171 HydrophobicContact CG1-CD2 4.12Å; V1155-H1172 CarbonylContact C-O 3.59Å; V1155-H1172 WeakPolarHBondContact CA-O 3.34Å; V1155-H1172 WeakPolarHBondContact CG1-O 3.28Å; V1155-V1229 HydrophobicContact CG2-CG1 4.06Å; V1155-L1232 HydrophobicContact CG2-CD1 4.18Å; V1155-L1232 HydrophobicContact CG2-CG 4.04Å |
| 1156 | S | 66 | Low | 64.4 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | trans | -90.8 | -23.8 | -178.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | T1154 H1172 | T1154-S1156 PolarHBondContact O-N 2.85Å; S1156-H1172 PolarHBondContact N-O 3.25Å; S1156-H1172 WeakPolarHBondContact OG-CB 3.43Å; S1156-H1172 PolarHBondContact OG-O 2.78Å | ||
| 1157 | D | 66.9 | Low | 67 | Low | 82 Ų | 82 | 80.5 Ų | 80.5 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -119.4 | 158.7 | -170.4 | -72.4 | 58.3 | 0 | 0 | 0 | 110.1 | V1155 L1159 H1172 | V1155-D1157 WeakPolarHBondContact CG1-O 3.29Å; D1157-L1159 PolarHBondContact O-N 2.86Å; D1157-L1159 VanDerWaalsContact O-N 3.14Å; D1157-H1172 HydrophobicContact CB-CB 4.3Å; D1157-H1172 WeakPolarHBondContact OD1-CB 3.32Å; D1157-H1172 IonicContact OD1-CG 2.66Å; D1157-H1172 IonicContact OD2-ND1 2.77Å |
| 1158 | Q | 68.4 | Low | 69.6 | Low | 162 Ų | 162 | 73.3 Ų | 73.3 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | trans | -65.7 | 118.5 | 178.8 | -72.6 | -168.5 | 18.3 | 0 | 0 | 110.9 | ||||
| 1159 | L | 80.3 | Confident | 72.2 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | trans | -54.5 | 136.6 | 174.7 | -71.6 | 164.6 | 0 | 0 | 0 | 111.1 | V1155 D1157 K1161 F1171 L1220 L1232 | V1155-L1159 HydrophobicContact CG1-CD2 3.88Å; V1155-L1159 HydrophobicContact CG1-CG 4.01Å; V1155-L1159 HydrophobicContact CG2-CD1 4.4Å; V1155-L1159 HydrophobicContact CG2-CD2 4.3Å; V1155-L1159 HydrophobicContact CG2-CG 4.5Å; D1157-L1159 PolarHBondContact O-N 2.86Å; D1157-L1159 VanDerWaalsContact O-N 3.14Å; L1159-K1161 PolarHBondContact O-N 3.27Å; L1159-F1171 HydrophobicContact CD2-CB 4.13Å; L1159-F1171 HydrophobicContact CD2-CD1 4.12Å; L1159-F1171 HydrophobicContact CD2-CD2 3.64Å; L1159-F1171 HydrophobicContact CD2-CE1 4.45Å; L1159-F1171 HydrophobicContact CD2-CE2 3.99Å; L1159-F1171 HydrophobicContact CD2-CG 3.7Å; L1159-F1171 HydrophobicContact CD2-CZ 4.38Å; L1159-L1220 HydrophobicContact CD2-CD1 4.17Å; L1159-L1232 HydrophobicContact CD1-CD2 3.74Å; L1159-L1232 HydrophobicContact CD2-CD2 3.98Å | ||
| 1160 | P | 77.8 | Confident | 75 | Confident | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | trans | -66.3 | 101.7 | -178.5 | 25.8 | -34.2 | 0 | 0 | 0 | 110.7 | V1163 A1169 F1171 F1210 L1220 C1236 | P1160-V1163 HydrophobicContact CB-CG2 3.86Å; P1160-A1169 HydrophobicContact CB-CB 4.23Å; P1160-A1169 HydrophobicContact CG-CB 4.31Å; P1160-F1171 HydrophobicContact CG-CD1 4.32Å; P1160-F1210 HydrophobicContact CG-CE1 4Å; P1160-F1210 HydrophobicContact CG-CZ 3.91Å; P1160-L1220 HydrophobicContact CG-CD1 4.39Å; P1160-C1236 WeakPolarHBondContact O-CA 3.46Å; P1160-C1236 VanDerWaalsContact O-CB 3.26Å; P1160-C1236 WeakPolarHBondContact O-CB 3.36Å; P1160-C1236 PolarHBondContact O-SG 3.49Å; P1160-C1236 VanDerWaalsContact O-SG 3.39Å | ||
| 1161 | K | 80.1 | Confident | 77.1 | Confident | 163 Ų | 163 | 60.2 Ų | 60.2 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | trans | -77.5 | -30.8 | -178.5 | -64.7 | -166.5 | 177.2 | -170.8 | 0 | 113.7 | L1159 R1237 | L1159-K1161 PolarHBondContact O-N 3.27Å; K1161-R1237 WeakPolarHBondContact O-CB 3.34Å; K1161-R1237 PolarHBondContact O-N 2.88Å | ||
| 1162 | L | 84.1 | Confident | 78.7 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 125.9 | -177.2 | -172 | 66.9 | 0 | 0 | 0 | 110.3 | R1237 Y1239 M1273 | L1162-R1237 CarbonylContact C-O 3.51Å; L1162-R1237 VanDerWaalsContact CA-O 3.27Å; L1162-R1237 WeakPolarHBondContact CA-O 3.39Å; L1162-R1237 HydrophobicContact CD1-CB 4.06Å; L1162-Y1239 HydrophobicContact CD1-CD1 3.79Å; L1162-Y1239 HydrophobicContact CD1-CE1 4.47Å; L1162-Y1239 HydrophobicContact CD2-CD1 4.4Å; L1162-Y1239 HydrophobicContact CD2-CE1 4.39Å; L1162-Y1239 HydrophobicContact CG-CD1 3.81Å; L1162-Y1239 HydrophobicContact CG-CE1 3.98Å; L1162-M1273 HydrophobicContact CD1-CG 4.32Å |
| 1163 | V | 85 | Confident | 80 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.4 | -172.7 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | P1160 A1169 P1212 C1236 R1237 V1238 Y1239 | P1160-V1163 HydrophobicContact CB-CG2 3.86Å; V1163-A1169 HydrophobicContact CG1-CB 4.05Å; V1163-A1169 HydrophobicContact CG2-CB 3.8Å; V1163-P1212 HydrophobicContact CB-CG 4.36Å; V1163-P1212 HydrophobicContact CG1-CG 3.79Å; V1163-C1236 VanDerWaalsContact CG2-SG 3.54Å; V1163-R1237 PolarHBondContact N-O 3.47Å; V1163-V1238 CarbonylContact O-C 3.58Å; V1163-V1238 VanDerWaalsContact O-CA 3.29Å; V1163-V1238 WeakPolarHBondContact O-CA 3.12Å; V1163-Y1239 WeakPolarHBondContact O-CD1 3.31Å; V1163-Y1239 PolarHBondContact O-N 2.85Å |
| 1164 | S | 84.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.9 | 173.8 | -166.1 | 0 | 0 | 0 | 0 | 109.3 | K1167 Y1239 D1318 | S1164-K1167 WeakPolarHBondContact O-CB 3.45Å; S1164-K1167 PolarHBondContact O-N 3.32Å; S1164-Y1239 CarbonylContact C-O 3.5Å; S1164-Y1239 WeakPolarHBondContact CA-O 3.46Å; S1164-D1318 PolarHBondContact OG-OD2 2.78Å |
| 1165 | A | 84 | Confident | 80.5 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 139.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1167 V1238 Y1239 D1240 | A1165-K1167 PolarHBondContact O-N 2.95Å; A1165-V1238 HydrophobicContact CB-CG1 3.93Å; A1165-Y1239 PolarHBondContact N-O 3.26Å; A1165-D1240 HydrophobicContact CB-CB 4Å |
| 1166 | N | 86.3 | Confident | 80.1 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 3.7 | -174.7 | -42.1 | -78 | 0 | 0 | 0 | 115.5 | P1212 | N1166-P1212 PolarHBondContact N-O 2.92Š|
| 1167 | K | 82.2 | Confident | 80 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -86.9 | 138.2 | 161 | -59.3 | -172.1 | -168.7 | 158.7 | 0 | 109.3 | S1164 A1165 D1318 | S1164-K1167 WeakPolarHBondContact O-CB 3.45Å; S1164-K1167 PolarHBondContact O-N 3.32Å; A1165-K1167 PolarHBondContact O-N 2.95Å; K1167-D1318 IonicContact NZ-OD1 2.71Å; K1167-D1318 PolarHBondContact NZ-OD1 3.2Å; K1167-D1318 IonicContact NZ-OD2 2.8Å; K1167-D1318 PolarHBondContact NZ-OD2 3.06Å |
| 1168 | A | 80.3 | Confident | 79.6 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | trans | -69.1 | 145 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1210 | A1168-F1210 WeakPolarHBondContact CA-O 3.32Š| ||
| 1169 | A | 85.6 | Confident | 79.2 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1160 V1163 F1210 | P1160-A1169 HydrophobicContact CB-CB 4.23Å; P1160-A1169 HydrophobicContact CG-CB 4.31Å; V1163-A1169 HydrophobicContact CG1-CB 4.05Å; V1163-A1169 HydrophobicContact CG2-CB 3.8Å; A1169-F1210 HydrophobicContact CB-CD1 4.45Å; A1169-F1210 HydrophobicContact CB-CE1 3.92Å; A1169-F1210 HydrophobicContact CB-CE2 4.31Å; A1169-F1210 HydrophobicContact CB-CZ 3.85Å; A1169-F1210 PolarHBondContact N-O 3.43Å; A1169-F1210 WeakPolarHBondContact O-CD1 3.34Å; A1169-F1210 PolarHBondContact O-N 2.77Å; A1169-F1210 VanDerWaalsContact O-O 3.06Å |
| 1170 | S | 87.9 | Confident | 78.6 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 159.7 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | V1208 | S1170-V1208 CarbonylContact C-O 3.6Å; S1170-V1208 WeakPolarHBondContact CA-O 3.43Å; S1170-V1208 VanDerWaalsContact CB-O 3.23Å; S1170-V1208 WeakPolarHBondContact CB-O 3.3Å |
| 1171 | F | 87.6 | Confident | 78.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 159.9 | 172.8 | 60 | -86.2 | 0 | 0 | 0 | 110.9 | V1155 L1159 P1160 I1173 V1208 F1210 L1220 V1222 L1232 | V1155-F1171 HydrophobicContact CG1-CD2 4.12Å; L1159-F1171 HydrophobicContact CD2-CB 4.13Å; L1159-F1171 HydrophobicContact CD2-CD1 4.12Å; L1159-F1171 HydrophobicContact CD2-CD2 3.64Å; L1159-F1171 HydrophobicContact CD2-CE1 4.45Å; L1159-F1171 HydrophobicContact CD2-CE2 3.99Å; L1159-F1171 HydrophobicContact CD2-CG 3.7Å; L1159-F1171 HydrophobicContact CD2-CZ 4.38Å; P1160-F1171 HydrophobicContact CG-CD1 4.32Å; F1171-I1173 HydrophobicContact CD2-CG1 4.4Å; F1171-I1173 HydrophobicContact CE2-CD1 4.11Å; F1171-I1173 HydrophobicContact CE2-CG1 4.33Å; F1171-V1208 HydrophobicContact CD1-CB 4.48Å; F1171-V1208 HydrophobicContact CD2-CB 4.46Å; F1171-V1208 HydrophobicContact CE1-CB 4.13Å; F1171-V1208 HydrophobicContact CE1-CG1 4.05Å; F1171-V1208 HydrophobicContact CE2-CB 4.13Å; F1171-V1208 HydrophobicContact CE2-CG2 4.11Å; F1171-V1208 HydrophobicContact CZ-CB 3.95Å; F1171-V1208 HydrophobicContact CZ-CG1 3.95Å; F1171-V1208 HydrophobicContact CZ-CG2 4.26Å; F1171-V1208 PolarHBondContact N-O 3.04Å; F1171-V1208 PolarHBondContact O-N 3.47Å; F1171-F1210 HydrophobicContact CD1-CE1 4.09Å; F1171-F1210 HydrophobicContact CE1-CD1 4.41Å; F1171-F1210 AromaticContact CE1-CE1 3.96Å; F1171-F1210 HydrophobicContact CE1-CE1 3.96Å; F1171-L1220 HydrophobicContact CD1-CD1 4.48Å; F1171-L1220 HydrophobicContact CE1-CD1 4.03Å; F1171-L1220 HydrophobicContact CE1-CD2 4.39Å; F1171-V1222 HydrophobicContact CE2-CG2 3.96Å; F1171-V1222 HydrophobicContact CZ-CG2 3.92Å; F1171-L1232 HydrophobicContact CE2-CD1 4.45Å |
| 1172 | H | 85.8 | Confident | 78.7 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.3 | -176.8 | -70 | 70.8 | 0 | 0 | 0 | 112.6 | V1155 S1156 D1157 Q1201 Y1206 | V1155-H1172 CarbonylContact C-O 3.59Å; V1155-H1172 WeakPolarHBondContact CA-O 3.34Å; V1155-H1172 WeakPolarHBondContact CG1-O 3.28Å; S1156-H1172 PolarHBondContact N-O 3.25Å; S1156-H1172 WeakPolarHBondContact OG-CB 3.43Å; S1156-H1172 PolarHBondContact OG-O 2.78Å; D1157-H1172 HydrophobicContact CB-CB 4.3Å; D1157-H1172 WeakPolarHBondContact OD1-CB 3.32Å; D1157-H1172 IonicContact OD1-CG 2.66Å; D1157-H1172 IonicContact OD2-ND1 2.77Å; H1172-Q1201 PolarHBondContact CD2-OE1 2.76Å; H1172-Q1201 PolarHBondContact NE2-OE1 3.23Å; H1172-Y1206 CarbonylContact C-O 3.59Å; H1172-Y1206 VanDerWaalsContact CA-O 3.32Å; H1172-Y1206 WeakPolarHBondContact CA-O 3.43Å |
| 1173 | I | 85.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.4 | 174.5 | -65 | 171.3 | 0 | 0 | 0 | 108.7 | F1171 G1205 Y1206 V1208 V1222 V1229 | F1171-I1173 HydrophobicContact CD2-CG1 4.4Å; F1171-I1173 HydrophobicContact CE2-CD1 4.11Å; F1171-I1173 HydrophobicContact CE2-CG1 4.33Å; I1173-G1205 CarbonylContact O-C 3.6Å; I1173-G1205 WeakPolarHBondContact O-CA 3.4Å; I1173-Y1206 PolarHBondContact N-O 2.94Å; I1173-Y1206 PolarHBondContact O-N 3.32Å; I1173-V1208 HydrophobicContact CD1-CG2 4.38Å; I1173-V1222 HydrophobicContact CD1-CB 3.71Å; I1173-V1222 HydrophobicContact CD1-CG1 3.48Å; I1173-V1222 VanDerWaalsContact CD1-CG1 3.48Å; I1173-V1222 HydrophobicContact CD1-CG2 3.84Å; I1173-V1229 HydrophobicContact CD1-CG1 4.4Å; I1173-V1229 HydrophobicContact CD1-CG2 4.33Å; I1173-V1229 HydrophobicContact CG1-CG1 4.42Å; I1173-V1229 HydrophobicContact CG2-CG1 4.09Å; I1173-V1229 HydrophobicContact CG2-CG2 4.24Å |
| 1174 | A | 78 | Confident | 78.9 | Confident | 35 Ų | 35 | 52 Ų | 52 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1153 T1154 T1204 | A1153-A1174 CarbonylContact C-O 3.59Å; A1153-A1174 WeakPolarHBondContact CA-O 3.3Å; T1154-A1174 PolarHBondContact N-O 2.87Å; T1154-A1174 PolarHBondContact O-N 3.02Å; A1174-T1204 CarbonylContact C-O 3.53Å; A1174-T1204 WeakPolarHBondContact CA-O 3.49Å |
| 1175 | T | 77.1 | Confident | 79 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | A1177 T1204 Y1206 | T1175-A1177 VanDerWaalsContact C-N 3.26Å; T1175-A1177 PolarHBondContact O-N 2.88Å; T1175-A1177 PolarHBondContact OG1-N 2.93Å; T1175-T1204 PolarHBondContact N-O 3.27Å; T1175-T1204 VanDerWaalsContact O-CB 3.24Å; T1175-T1204 WeakPolarHBondContact O-CB 3.42Å; T1175-Y1206 HydrophobicContact CG2-CD2 4.08Å; T1175-Y1206 HydrophobicContact CG2-CE2 3.63Å |
| 1176 | S | 69.7 | Low | 79.3 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -71.8 | -15.3 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | S1152 | S1152-S1176 PolarHBondContact N-OG 3.31Å; S1152-S1176 VanDerWaalsContact N-OG 3.12Å; S1152-S1176 PolarHBondContact O-N 3.31Å; S1152-S1176 PolarHBondContact O-OG 2.86Å; S1152-S1176 PolarHBondContact OG-OG 2.98Å |
| 1177 | A | 63.3 | Low | 79.2 | Confident | 20 Ų | 20 | 50 Ų | 50 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | trans | -101.6 | 118.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1151 T1175 T1180 | I1151-A1177 HydrophobicContact CG2-CB 3.89Å; T1175-A1177 VanDerWaalsContact C-N 3.26Å; T1175-A1177 PolarHBondContact O-N 2.88Å; T1175-A1177 PolarHBondContact OG1-N 2.93Å; A1177-T1180 HydrophobicContact CB-CG2 3.55Å; A1177-T1180 WeakPolarHBondContact O-CG2 3.3Å; A1177-T1180 PolarHBondContact O-OG1 2.83Å | ||
| 1178 | K | 58.2 | Low | 79 | Confident | 163 Ų | 163 | 45.5 Ų | 45.5 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -67.3 | 142.5 | 170.6 | -68 | 179.4 | 178.7 | 177.6 | 0 | 110.5 | ||
| 1179 | D | 60.9 | Low | 78.8 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 68% | 0.684 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 54.1 | 62.8 | 178 | -59.3 | -27.8 | 0 | 0 | 0 | 113.5 | R1200 | D1179-R1200 VanDerWaalsContact CA-NH2 3.34Å; D1179-R1200 VanDerWaalsContact N-NH2 3.16Å; D1179-R1200 IonicContact OD1-CZ 3.66Å; D1179-R1200 VanDerWaalsContact OD1-CZ 3.22Å; D1179-R1200 IonicContact OD1-NH1 3.92Å; D1179-R1200 PolarHBondContact OD1-NH1 3.11Å; D1179-R1200 IonicContact OD1-NH2 3.6Å; D1179-R1200 PolarHBondContact OD1-NH2 3.42Å |
| 1180 | T | 66.7 | Low | 78.5 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -102.9 | 140.9 | 179.2 | 23.1 | 0 | 0 | 0 | 0 | 111.4 | A1177 Y1206 V1224 | A1177-T1180 HydrophobicContact CB-CG2 3.55Å; A1177-T1180 WeakPolarHBondContact O-CG2 3.3Å; A1177-T1180 PolarHBondContact O-OG1 2.83Å; T1180-Y1206 PolarHBondContact O-OH 3.37Å; T1180-Y1206 PolarHBondContact OG1-OH 2.78Å; T1180-V1224 HydrophobicContact CG2-CG1 3.53Å | ||
| 1181 | S | 76.5 | Confident | 78 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | trans | -76.8 | 136.6 | 162.8 | -169.4 | 0 | 0 | 0 | 0 | 109 | V1224 N1225 | S1181-V1224 VanDerWaalsContact O-CA 3.32Å; S1181-V1224 WeakPolarHBondContact O-CA 3.13Å; S1181-N1225 PolarHBondContact N-OD1 3.3Å; S1181-N1225 PolarHBondContact O-N 2.96Å; S1181-N1225 VanDerWaalsContact O-N 3.16Å | ||
| 1182 | V | 83.2 | Confident | 77.5 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 109.4 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | P1184 V1198 Y1206 V1222 R1223 V1224 | V1182-P1184 WeakPolarHBondContact O-CD 3.41Å; V1182-V1198 HydrophobicContact CB-CG1 4.45Å; V1182-Y1206 HydrophobicContact CB-CD1 4.47Å; V1182-Y1206 HydrophobicContact CB-CG 4.49Å; V1182-Y1206 HydrophobicContact CG2-CD1 3.87Å; V1182-Y1206 HydrophobicContact CG2-CD2 3.68Å; V1182-Y1206 HydrophobicContact CG2-CE1 3.85Å; V1182-Y1206 HydrophobicContact CG2-CE2 3.65Å; V1182-Y1206 HydrophobicContact CG2-CG 3.78Å; V1182-V1222 HydrophobicContact CG1-CG1 3.72Å; V1182-R1223 WeakPolarHBondContact CA-O 3.44Å; V1182-V1224 HydrophobicContact CG1-CG2 4.29Å; V1182-V1224 HydrophobicContact CG2-CG2 4.18Å |
| 1183 | E | 86.7 | Confident | 77.3 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 100.3 | -174.2 | -70.1 | -169.7 | -161.5 | 0 | 0 | 111 | V1222 R1223 | E1183-V1222 WeakPolarHBondContact O-CA 3.22Å; E1183-R1223 PolarHBondContact N-O 2.8Å; E1183-R1223 PolarHBondContact O-N 3.1Å |
| 1184 | P | 87.1 | Confident | 77.3 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.2 | 171.1 | 32.4 | -35.7 | 0 | 0 | 0 | 111.7 | V1182 A1196 V1198 V1208 V1222 | V1182-P1184 WeakPolarHBondContact O-CD 3.41Å; P1184-A1196 HydrophobicContact CB-CB 4.06Å; P1184-A1196 HydrophobicContact CG-CB 3.87Å; P1184-V1198 HydrophobicContact CG-CG2 3.54Å; P1184-V1208 HydrophobicContact CB-CG1 3.95Å; P1184-V1208 HydrophobicContact CG-CG1 4.31Å; P1184-V1222 HydrophobicContact CB-CG1 4.47Å; P1184-V1222 HydrophobicContact CB-CG2 3.96Å |
| 1185 | M | 87.5 | Confident | 77.6 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 94.5 | 171.1 | 173.9 | 167.3 | 65.1 | 0 | 0 | 108.3 | R1193 D1221 | M1185-R1193 HydrophobicContact CG-CG 4.42Å; M1185-R1193 PolarHBondContact SD-NH2 3.07Å; M1185-D1221 CarbonylContact C-O 3.52Å; M1185-D1221 HydrophobicContact CB-CB 4.34Å; M1185-D1221 HydrophobicContact CE-CB 3.85Å; M1185-D1221 WeakPolarHBondContact CE-OD2 3.27Å; M1185-D1221 PolarHBondContact N-O 3.42Å; M1185-D1221 PolarHBondContact O-N 3.36Å |
| 1186 | I | 89.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.8 | 172 | -56 | -177.4 | 0 | 0 | 0 | 107.7 | R1193 L1194 A1196 V1208 F1210 Q1219 L1220 | I1186-R1193 CarbonylContact O-C 3.59Å; I1186-R1193 VanDerWaalsContact O-CA 3.28Å; I1186-R1193 WeakPolarHBondContact O-CA 3.33Å; I1186-L1194 HydrophobicContact CB-CB 4.21Å; I1186-L1194 HydrophobicContact CG2-CB 4.09Å; I1186-L1194 PolarHBondContact O-N 3.31Å; I1186-A1196 HydrophobicContact CD1-CB 3.69Å; I1186-A1196 HydrophobicContact CG1-CB 4.18Å; I1186-V1208 HydrophobicContact CD1-CG1 4.45Å; I1186-F1210 HydrophobicContact CD1-CB 3.61Å; I1186-F1210 HydrophobicContact CD1-CD1 3.4Å; I1186-F1210 VanDerWaalsContact CD1-CD1 3.4Å; I1186-F1210 HydrophobicContact CD1-CD2 3.81Å; I1186-F1210 HydrophobicContact CD1-CE1 3.95Å; I1186-F1210 HydrophobicContact CD1-CE2 4.31Å; I1186-F1210 HydrophobicContact CD1-CG 3.33Å; I1186-F1210 HydrophobicContact CD1-CZ 4.37Å; I1186-F1210 HydrophobicContact CG2-CD2 4.17Å; I1186-F1210 HydrophobicContact CG2-CE2 4.39Å; I1186-Q1219 CarbonylContact C-O 3.53Å; I1186-Q1219 WeakPolarHBondContact CA-O 3.48Å; I1186-L1220 HydrophobicContact CB-CD2 4.28Å; I1186-L1220 HydrophobicContact CD1-CD2 3.8Å; I1186-L1220 HydrophobicContact CG1-CD2 3.72Å; I1186-L1220 HydrophobicContact CG2-CD2 3.8Å |
| 1187 | T | 84.8 | Confident | 78.7 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.7 | -174.3 | -43.5 | 0 | 0 | 0 | 0 | 109.7 | K1192 H1218 Q1219 | T1187-K1192 CarbonylContact C-O 3.6Å; T1187-K1192 WeakPolarHBondContact CA-O 3.36Å; T1187-H1218 CarbonylContact O-C 3.49Å; T1187-H1218 VanDerWaalsContact O-CA 3.26Å; T1187-H1218 WeakPolarHBondContact O-CA 3.35Å; T1187-Q1219 PolarHBondContact N-O 3.45Å; T1187-Q1219 PolarHBondContact O-N 3.06Å |
| 1188 | G | 78.5 | Confident | 79.9 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | trans | -75 | 169 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1190 G1191 K1192 | G1188-D1190 PolarHBondContact O-N 3.08Å; G1188-D1190 VanDerWaalsContact O-N 3.16Å; G1188-G1191 PolarHBondContact O-N 2.92Å; G1188-K1192 PolarHBondContact N-O 2.92Å | ||
| 1189 | P | 74.7 | Confident | 81.2 | Confident | 69 Ų | 69 | 70 Ų | 70 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.3 | -178.8 | 26.6 | -34.7 | 0 | 0 | 0 | 113.7 | G1191 A1214 V1215 H1218 | P1189-G1191 VanDerWaalsContact C-N 3.31Å; P1189-A1214 HydrophobicContact CG-CB 4.38Å; P1189-V1215 WeakPolarHBondContact CG-O 3.49Å; P1189-H1218 WeakPolarHBondContact CD-CE1 3.29Å |
| 1190 | D | 79.9 | Confident | 82.2 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.8 | 171.1 | 72.4 | -20.7 | 0 | 0 | 0 | 113.3 | G1188 K1192 | G1188-D1190 PolarHBondContact O-N 3.08Å; G1188-D1190 VanDerWaalsContact O-N 3.16Å; D1190-K1192 VanDerWaalsContact C-N 3.27Å; D1190-K1192 PolarHBondContact O-N 3.34Å; D1190-K1192 WeakPolarHBondContact OD1-CB 3.43Å; D1190-K1192 PolarHBondContact OD1-N 3.41Å; D1190-K1192 VanDerWaalsContact OD1-N 3.15Å; D1190-K1192 WeakPolarHBondContact OD2-CG 3.3Å; D1190-K1192 IonicContact OD2-NZ 2.71Å; D1190-K1192 PolarHBondContact OD2-NZ 2.97Å |
| 1191 | G | 76.6 | Confident | 82.6 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 77.4 | 0.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | G1188 P1189 | G1188-G1191 PolarHBondContact O-N 2.92Å; P1189-G1191 VanDerWaalsContact C-N 3.31Å |
| 1192 | K | 77.3 | Confident | 82.3 | Confident | 135 Ų | 135 | 71.4 Ų | 71.4 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 137.3 | 177 | -65.1 | -165.9 | -168.7 | 85.5 | 0 | 111 | T1187 G1188 D1190 | T1187-K1192 CarbonylContact C-O 3.6Å; T1187-K1192 WeakPolarHBondContact CA-O 3.36Å; G1188-K1192 PolarHBondContact N-O 2.92Å; D1190-K1192 VanDerWaalsContact C-N 3.27Å; D1190-K1192 PolarHBondContact O-N 3.34Å; D1190-K1192 WeakPolarHBondContact OD1-CB 3.43Å; D1190-K1192 PolarHBondContact OD1-N 3.41Å; D1190-K1192 VanDerWaalsContact OD1-N 3.15Å; D1190-K1192 WeakPolarHBondContact OD2-CG 3.3Å; D1190-K1192 IonicContact OD2-NZ 2.71Å; D1190-K1192 PolarHBondContact OD2-NZ 2.97Å |
| 1193 | R | 82 | Confident | 81.8 | Confident | 166 Ų | 166 | 73.2 Ų | 73.2 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.4 | 162.8 | -88.8 | -174.5 | 171.8 | -162.1 | -3.4 | 109.6 | M1185 I1186 | M1185-R1193 HydrophobicContact CG-CG 4.42Å; M1185-R1193 PolarHBondContact SD-NH2 3.07Å; I1186-R1193 CarbonylContact O-C 3.59Å; I1186-R1193 VanDerWaalsContact O-CA 3.28Å; I1186-R1193 WeakPolarHBondContact O-CA 3.33Å |
| 1194 | L | 85 | Confident | 81 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 146.5 | 162.8 | -116.1 | 78.1 | 0 | 0 | 0 | 109.5 | I1186 F1210 T1211 | I1186-L1194 HydrophobicContact CB-CB 4.21Å; I1186-L1194 HydrophobicContact CG2-CB 4.09Å; I1186-L1194 PolarHBondContact O-N 3.31Å; L1194-F1210 HydrophobicContact CD2-CD2 4.3Å; L1194-T1211 WeakPolarHBondContact CD2-O 3.41Å |
| 1195 | E | 83.9 | Confident | 80.4 | Confident | 189 Ų | 189 | 69.9 Ų | 69.9 | 88% | 0.883 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 132.9 | 162.1 | -68.6 | -168.8 | 143.6 | 0 | 0 | 109.6 | ||
| 1196 | A | 84.9 | Confident | 80.4 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 20% | 0.198 | 37% | 0.368 | C | S | . | . | trans | -125.8 | 128.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P1184 I1186 V1208 E1209 F1210 | P1184-A1196 HydrophobicContact CB-CB 4.06Å; P1184-A1196 HydrophobicContact CG-CB 3.87Å; I1186-A1196 HydrophobicContact CD1-CB 3.69Å; I1186-A1196 HydrophobicContact CG1-CB 4.18Å; A1196-V1208 HydrophobicContact CB-CG1 3.99Å; A1196-E1209 CarbonylContact C-O 3.59Å; A1196-E1209 WeakPolarHBondContact CA-O 3.12Å; A1196-F1210 HydrophobicContact CB-CB 4.31Å | ||
| 1197 | N | 86.4 | Confident | 80.3 | Confident | 99 Ų | 99 | 68.9 Ų | 68.9 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.7 | -174.7 | -161.8 | -10.6 | 0 | 0 | 0 | 109.8 | E1209 | N1197-E1209 PolarHBondContact N-O 3.33Å; N1197-E1209 PolarHBondContact O-N 2.87Å |
| 1198 | V | 87.6 | Confident | 80.6 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.6 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | V1182 P1184 Y1206 L1207 | V1182-V1198 HydrophobicContact CB-CG1 4.45Å; P1184-V1198 HydrophobicContact CG-CG2 3.54Å; V1198-Y1206 HydrophobicContact CG1-CD1 4.08Å; V1198-L1207 WeakPolarHBondContact CA-O 3.17Å |
| 1199 | K | 85.1 | Confident | 81.1 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.1 | 175.5 | -71.7 | 168 | 173.1 | 163.1 | 0 | 109.7 | Q1201 L1207 E1209 | K1199-Q1201 PolarHBondContact O-N 2.9Å; K1199-L1207 HydrophobicContact CB-CB 4.34Å; K1199-L1207 HydrophobicContact CD-CD2 4.42Å; K1199-L1207 PolarHBondContact N-O 3.21Å; K1199-L1207 PolarHBondContact O-N 2.81Å; K1199-E1209 VanDerWaalsContact CE-OE2 3.25Å; K1199-E1209 WeakPolarHBondContact CE-OE2 3.34Å; K1199-E1209 IonicContact NZ-OE1 2.74Å; K1199-E1209 PolarHBondContact NZ-OE1 3.24Å; K1199-E1209 IonicContact NZ-OE2 3.93Å; K1199-E1209 PolarHBondContact NZ-OE2 3.04Å |
| 1200 | R | 82 | Confident | 81.9 | Confident | 116 Ų | 116 | 66.7 Ų | 66.7 | 44% | 0.438 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.4 | 174.4 | -162.9 | -178.5 | -134.9 | -174.7 | 6.7 | 110.3 | D1179 G1202 Y1206 | D1179-R1200 VanDerWaalsContact CA-NH2 3.34Å; D1179-R1200 VanDerWaalsContact N-NH2 3.16Å; D1179-R1200 IonicContact OD1-CZ 3.66Å; D1179-R1200 VanDerWaalsContact OD1-CZ 3.22Å; D1179-R1200 IonicContact OD1-NH1 3.92Å; D1179-R1200 PolarHBondContact OD1-NH1 3.11Å; D1179-R1200 IonicContact OD1-NH2 3.6Å; D1179-R1200 PolarHBondContact OD1-NH2 3.42Å; R1200-G1202 WeakPolarHBondContact CG-O 3.35Å; R1200-Y1206 HydrophobicContact CB-CD1 4.17Å; R1200-Y1206 HydrophobicContact CB-CE1 4.22Å; R1200-Y1206 HydrophobicContact CG-CD1 4.01Å; R1200-Y1206 HydrophobicContact CG-CE1 3.77Å; R1200-Y1206 PolarHBondContact NE-OH 3.31Å; R1200-Y1206 PolarHBondContact NH2-OH 3.15Å |
| 1201 | Q | 75.4 | Confident | 82.4 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 101.8 | 171.2 | -75.5 | -159.2 | -9.2 | 0 | 0 | 109.9 | H1172 K1199 G1205 L1207 | H1172-Q1201 PolarHBondContact CD2-OE1 2.76Å; H1172-Q1201 PolarHBondContact NE2-OE1 3.23Å; K1199-Q1201 PolarHBondContact O-N 2.9Å; Q1201-G1205 CarbonylContact C-O 3.54Å; Q1201-G1205 PolarHBondContact N-O 2.83Å; Q1201-G1205 CarbonylContact O-C 3.53Å; Q1201-G1205 VanDerWaalsContact O-CA 3.26Å; Q1201-G1205 WeakPolarHBondContact O-CA 3.09Å; Q1201-G1205 PolarHBondContact O-N 3.34Å; Q1201-G1205 VanDerWaalsContact O-O 3.11Å; Q1201-L1207 HydrophobicContact CG-CB 4.27Å |
| 1202 | G | 71 | Confident | 82.8 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -158.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1200 | R1200-G1202 WeakPolarHBondContact CG-O 3.35Š|
| 1203 | S | 71.5 | Confident | 83 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -12.2 | -172.6 | 49.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1204 | T | 69.9 | Low | 83 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | 4.5 | -171.3 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | A1174 T1175 | A1174-T1204 CarbonylContact C-O 3.53Å; A1174-T1204 WeakPolarHBondContact CA-O 3.49Å; T1175-T1204 PolarHBondContact N-O 3.27Å; T1175-T1204 VanDerWaalsContact O-CB 3.24Å; T1175-T1204 WeakPolarHBondContact O-CB 3.42Å |
| 1205 | G | 76.3 | Confident | 82.9 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 13% | 0.134 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1173 Q1201 | I1173-G1205 CarbonylContact O-C 3.6Å; I1173-G1205 WeakPolarHBondContact O-CA 3.4Å; Q1201-G1205 CarbonylContact C-O 3.54Å; Q1201-G1205 PolarHBondContact N-O 2.83Å; Q1201-G1205 CarbonylContact O-C 3.53Å; Q1201-G1205 VanDerWaalsContact O-CA 3.26Å; Q1201-G1205 WeakPolarHBondContact O-CA 3.09Å; Q1201-G1205 PolarHBondContact O-N 3.34Å; Q1201-G1205 VanDerWaalsContact O-O 3.11Å |
| 1206 | Y | 86.5 | Confident | 82.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131.6 | 174.1 | -59.9 | -95.2 | 0 | 0 | 0 | 109.7 | H1172 I1173 T1175 T1180 V1182 V1198 R1200 | H1172-Y1206 CarbonylContact C-O 3.59Å; H1172-Y1206 VanDerWaalsContact CA-O 3.32Å; H1172-Y1206 WeakPolarHBondContact CA-O 3.43Å; I1173-Y1206 PolarHBondContact N-O 2.94Å; I1173-Y1206 PolarHBondContact O-N 3.32Å; T1175-Y1206 HydrophobicContact CG2-CD2 4.08Å; T1175-Y1206 HydrophobicContact CG2-CE2 3.63Å; T1180-Y1206 PolarHBondContact O-OH 3.37Å; T1180-Y1206 PolarHBondContact OG1-OH 2.78Å; V1182-Y1206 HydrophobicContact CB-CD1 4.47Å; V1182-Y1206 HydrophobicContact CB-CG 4.49Å; V1182-Y1206 HydrophobicContact CG2-CD1 3.87Å; V1182-Y1206 HydrophobicContact CG2-CD2 3.68Å; V1182-Y1206 HydrophobicContact CG2-CE1 3.85Å; V1182-Y1206 HydrophobicContact CG2-CE2 3.65Å; V1182-Y1206 HydrophobicContact CG2-CG 3.78Å; V1198-Y1206 HydrophobicContact CG1-CD1 4.08Å; R1200-Y1206 HydrophobicContact CB-CD1 4.17Å; R1200-Y1206 HydrophobicContact CB-CE1 4.22Å; R1200-Y1206 HydrophobicContact CG-CD1 4.01Å; R1200-Y1206 HydrophobicContact CG-CE1 3.77Å; R1200-Y1206 PolarHBondContact NE-OH 3.31Å; R1200-Y1206 PolarHBondContact NH2-OH 3.15Å |
| 1207 | L | 88 | Confident | 82.5 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.3 | 174.5 | 165.4 | 60.2 | 0 | 0 | 0 | 108.7 | V1198 K1199 Q1201 E1209 | V1198-L1207 WeakPolarHBondContact CA-O 3.17Å; K1199-L1207 HydrophobicContact CB-CB 4.34Å; K1199-L1207 HydrophobicContact CD-CD2 4.42Å; K1199-L1207 PolarHBondContact N-O 3.21Å; K1199-L1207 PolarHBondContact O-N 2.81Å; Q1201-L1207 HydrophobicContact CG-CB 4.27Å; L1207-E1209 HydrophobicContact CD1-CG 4.24Å; L1207-E1209 HydrophobicContact CD2-CG 4.31Å; L1207-E1209 HydrophobicContact CG-CG 4.05Å |
| 1208 | V | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.7 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | S1170 F1171 I1173 P1184 I1186 A1196 | S1170-V1208 CarbonylContact C-O 3.6Å; S1170-V1208 WeakPolarHBondContact CA-O 3.43Å; S1170-V1208 VanDerWaalsContact CB-O 3.23Å; S1170-V1208 WeakPolarHBondContact CB-O 3.3Å; F1171-V1208 HydrophobicContact CD1-CB 4.48Å; F1171-V1208 HydrophobicContact CD2-CB 4.46Å; F1171-V1208 HydrophobicContact CE1-CB 4.13Å; F1171-V1208 HydrophobicContact CE1-CG1 4.05Å; F1171-V1208 HydrophobicContact CE2-CB 4.13Å; F1171-V1208 HydrophobicContact CE2-CG2 4.11Å; F1171-V1208 HydrophobicContact CZ-CB 3.95Å; F1171-V1208 HydrophobicContact CZ-CG1 3.95Å; F1171-V1208 HydrophobicContact CZ-CG2 4.26Å; F1171-V1208 PolarHBondContact N-O 3.04Å; F1171-V1208 PolarHBondContact O-N 3.47Å; I1173-V1208 HydrophobicContact CD1-CG2 4.38Å; P1184-V1208 HydrophobicContact CB-CG1 3.95Å; P1184-V1208 HydrophobicContact CG-CG1 4.31Å; I1186-V1208 HydrophobicContact CD1-CG1 4.45Å; A1196-V1208 HydrophobicContact CB-CG1 3.99Å |
| 1209 | E | 89.7 | Confident | 82.3 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.6 | 176.6 | -65.4 | 171.6 | 161.2 | 0 | 0 | 110.8 | A1196 N1197 K1199 L1207 | A1196-E1209 CarbonylContact C-O 3.59Å; A1196-E1209 WeakPolarHBondContact CA-O 3.12Å; N1197-E1209 PolarHBondContact N-O 3.33Å; N1197-E1209 PolarHBondContact O-N 2.87Å; K1199-E1209 VanDerWaalsContact CE-OE2 3.25Å; K1199-E1209 WeakPolarHBondContact CE-OE2 3.34Å; K1199-E1209 IonicContact NZ-OE1 2.74Å; K1199-E1209 PolarHBondContact NZ-OE1 3.24Å; K1199-E1209 IonicContact NZ-OE2 3.93Å; K1199-E1209 PolarHBondContact NZ-OE2 3.04Å; L1207-E1209 HydrophobicContact CD1-CG 4.24Å; L1207-E1209 HydrophobicContact CD2-CG 4.31Å; L1207-E1209 HydrophobicContact CG-CG 4.05Å |
| 1210 | F | 91.4 | Very high | 82.5 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 161.2 | 176.3 | 67.5 | -75.7 | 0 | 0 | 0 | 111.3 | P1160 A1168 A1169 F1171 I1186 L1194 A1196 P1212 L1220 C1236 | P1160-F1210 HydrophobicContact CG-CE1 4Å; P1160-F1210 HydrophobicContact CG-CZ 3.91Å; A1168-F1210 WeakPolarHBondContact CA-O 3.32Å; A1169-F1210 HydrophobicContact CB-CD1 4.45Å; A1169-F1210 HydrophobicContact CB-CE1 3.92Å; A1169-F1210 HydrophobicContact CB-CE2 4.31Å; A1169-F1210 HydrophobicContact CB-CZ 3.85Å; A1169-F1210 PolarHBondContact N-O 3.43Å; A1169-F1210 WeakPolarHBondContact O-CD1 3.34Å; A1169-F1210 PolarHBondContact O-N 2.77Å; A1169-F1210 VanDerWaalsContact O-O 3.06Å; F1171-F1210 HydrophobicContact CD1-CE1 4.09Å; F1171-F1210 HydrophobicContact CE1-CD1 4.41Å; F1171-F1210 AromaticContact CE1-CE1 3.96Å; F1171-F1210 HydrophobicContact CE1-CE1 3.96Å; I1186-F1210 HydrophobicContact CD1-CB 3.61Å; I1186-F1210 HydrophobicContact CD1-CD1 3.4Å; I1186-F1210 VanDerWaalsContact CD1-CD1 3.4Å; I1186-F1210 HydrophobicContact CD1-CD2 3.81Å; I1186-F1210 HydrophobicContact CD1-CE1 3.95Å; I1186-F1210 HydrophobicContact CD1-CE2 4.31Å; I1186-F1210 HydrophobicContact CD1-CG 3.33Å; I1186-F1210 HydrophobicContact CD1-CZ 4.37Å; I1186-F1210 HydrophobicContact CG2-CD2 4.17Å; I1186-F1210 HydrophobicContact CG2-CE2 4.39Å; L1194-F1210 HydrophobicContact CD2-CD2 4.3Å; A1196-F1210 HydrophobicContact CB-CB 4.31Å; F1210-P1212 HydrophobicContact CD2-CG 4.43Å; F1210-P1212 HydrophobicContact CE2-CG 4.19Å; F1210-L1220 HydrophobicContact CE1-CD2 4.22Å; F1210-L1220 HydrophobicContact CE2-CD2 4.24Å; F1210-L1220 HydrophobicContact CZ-CD2 3.83Å; F1210-C1236 HydrophobicContact CZ-CB 4.38Å |
| 1211 | T | 90.1 | Very high | 82.8 | Confident | 62 Ų | 62 | 34.9 Ų | 34.9 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | trans | -130.4 | 97.4 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | L1194 T1213 | L1194-T1211 WeakPolarHBondContact CD2-O 3.41Å; T1211-T1213 PolarHBondContact O-N 2.89Å | ||
| 1212 | P | 84.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -70.6 | 127.5 | -179.1 | 28.4 | -32.8 | 0 | 0 | 0 | 111.6 | V1163 N1166 F1210 V1238 | V1163-P1212 HydrophobicContact CB-CG 4.36Å; V1163-P1212 HydrophobicContact CG1-CG 3.79Å; N1166-P1212 PolarHBondContact N-O 2.92Å; F1210-P1212 HydrophobicContact CD2-CG 4.43Å; F1210-P1212 HydrophobicContact CE2-CG 4.19Å; P1212-V1238 HydrophobicContact CB-CB 4.44Å; P1212-V1238 HydrophobicContact CB-CG1 4.04Å; P1212-V1238 HydrophobicContact CB-CG2 3.6Å; P1212-V1238 HydrophobicContact CG-CG1 4.08Å; P1212-V1238 HydrophobicContact CG-CG2 3.79Å | ||
| 1213 | T | 83 | Confident | 83.9 | Confident | 83 Ų | 83 | 34.5 Ų | 34.5 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | trans | -105.7 | -18.2 | -177 | 54 | 0 | 0 | 0 | 0 | 113.5 | T1211 | T1211-T1213 PolarHBondContact O-N 2.89Š| ||
| 1214 | A | 81.2 | Confident | 84.4 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 25% | 0.248 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -95.7 | 149.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1189 H1218 V1238 | P1189-A1214 HydrophobicContact CG-CB 4.38Å; A1214-H1218 PolarHBondContact O-CE1 2.71Å; A1214-H1218 VanDerWaalsContact O-CE1 3.26Å; A1214-V1238 WeakPolarHBondContact O-CB 3.46Å; A1214-V1238 WeakPolarHBondContact O-CG1 3.34Å |
| 1215 | V | 83.5 | Confident | 84.8 | Confident | 34 Ų | 34 | 33 Ų | 33 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -83.2 | 139.3 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | P1189 V1238 D1240 | P1189-V1215 WeakPolarHBondContact CG-O 3.49Å; V1215-V1238 WeakPolarHBondContact CG1-O 3.41Å; V1215-D1240 HydrophobicContact CG2-CB 3.54Å |
| 1216 | G | 77.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.7 | -174.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1218 V1238 | G1216-H1218 PolarHBondContact O-N 3.02Å; G1216-H1218 PolarHBondContact O-ND1 3.39Å; G1216-V1238 PolarHBondContact N-O 2.8Å; G1216-V1238 PolarHBondContact O-N 3.33Å; G1216-V1238 VanDerWaalsContact O-N 3.07Å |
| 1217 | D | 82.1 | Confident | 83.8 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.6 | -173.8 | -72.9 | 49.5 | 0 | 0 | 0 | 111.6 | T1235 R1237 M1273 | D1217-T1235 HydrophobicContact CB-CG2 3.57Å; D1217-T1235 VanDerWaalsContact OD2-CG2 3.26Å; D1217-T1235 WeakPolarHBondContact OD2-CG2 3.44Å; D1217-R1237 HydrophobicContact CB-CG 4.5Å; D1217-R1237 WeakPolarHBondContact OD1-CG 3.26Å; D1217-R1237 IonicContact OD1-NE 3.74Å; D1217-R1237 WeakPolarHBondContact OD2-CG 3.07Å; D1217-R1237 IonicContact OD2-CZ 3.34Å; D1217-R1237 IonicContact OD2-NE 2.67Å; D1217-R1237 PolarHBondContact OD2-NE 3.19Å; D1217-R1237 IonicContact OD2-NH2 3.21Å; D1217-R1237 PolarHBondContact OD2-NH2 3Å; D1217-R1237 VanDerWaalsContact OD2-NH2 3.16Å; D1217-M1273 WeakPolarHBondContact OD1-CE 3.47Å |
| 1218 | H | 82.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.6 | 172.4 | -70.9 | 56.3 | 0 | 0 | 0 | 109.7 | T1187 P1189 A1214 G1216 T1235 C1236 V1238 | T1187-H1218 CarbonylContact O-C 3.49Å; T1187-H1218 VanDerWaalsContact O-CA 3.26Å; T1187-H1218 WeakPolarHBondContact O-CA 3.35Å; P1189-H1218 WeakPolarHBondContact CD-CE1 3.29Å; A1214-H1218 PolarHBondContact O-CE1 2.71Å; A1214-H1218 VanDerWaalsContact O-CE1 3.26Å; G1216-H1218 PolarHBondContact O-N 3.02Å; G1216-H1218 PolarHBondContact O-ND1 3.39Å; H1218-T1235 WeakPolarHBondContact O-CA 3.17Å; H1218-C1236 HydrophobicContact CB-CB 4.41Å; H1218-C1236 PolarHBondContact N-O 3.07Å; H1218-C1236 PolarHBondContact O-N 2.8Å; H1218-V1238 WeakPolarHBondContact ND1-CG2 3.33Å |
| 1219 | Q | 86.5 | Confident | 83.1 | Confident | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.4 | 171.6 | -80.8 | -90.9 | -74.8 | 0 | 0 | 110 | I1186 T1187 T1235 | I1186-Q1219 CarbonylContact C-O 3.53Å; I1186-Q1219 WeakPolarHBondContact CA-O 3.48Å; T1187-Q1219 PolarHBondContact N-O 3.45Å; T1187-Q1219 PolarHBondContact O-N 3.06Å; Q1219-T1235 PolarHBondContact NE2-OG1 2.92Å; Q1219-T1235 VanDerWaalsContact NE2-OG1 3.13Å |
| 1220 | L | 89.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.7 | 170.2 | -54.2 | -179.7 | 0 | 0 | 0 | 108.1 | L1159 P1160 F1171 I1186 F1210 L1232 P1233 S1234 C1236 | L1159-L1220 HydrophobicContact CD2-CD1 4.17Å; P1160-L1220 HydrophobicContact CG-CD1 4.39Å; F1171-L1220 HydrophobicContact CD1-CD1 4.48Å; F1171-L1220 HydrophobicContact CE1-CD1 4.03Å; F1171-L1220 HydrophobicContact CE1-CD2 4.39Å; I1186-L1220 HydrophobicContact CB-CD2 4.28Å; I1186-L1220 HydrophobicContact CD1-CD2 3.8Å; I1186-L1220 HydrophobicContact CG1-CD2 3.72Å; I1186-L1220 HydrophobicContact CG2-CD2 3.8Å; F1210-L1220 HydrophobicContact CE1-CD2 4.22Å; F1210-L1220 HydrophobicContact CE2-CD2 4.24Å; F1210-L1220 HydrophobicContact CZ-CD2 3.83Å; L1220-L1232 HydrophobicContact CB-CD2 4.19Å; L1220-P1233 CarbonylContact O-C 3.57Å; L1220-P1233 WeakPolarHBondContact O-CA 3.34Å; L1220-S1234 PolarHBondContact N-O 3.01Å; L1220-S1234 PolarHBondContact O-N 3.13Å; L1220-C1236 HydrophobicContact CD1-CB 3.98Å; L1220-C1236 HydrophobicContact CD2-CB 4.22Å; L1220-C1236 HydrophobicContact CG-CB 4.07Å |
| 1221 | D | 87.9 | Confident | 81.3 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.9 | 164.3 | -174.4 | 25.8 | 0 | 0 | 0 | 108.9 | M1185 R1223 Q1228 P1233 | M1185-D1221 CarbonylContact C-O 3.52Å; M1185-D1221 HydrophobicContact CB-CB 4.34Å; M1185-D1221 HydrophobicContact CE-CB 3.85Å; M1185-D1221 WeakPolarHBondContact CE-OD2 3.27Å; M1185-D1221 PolarHBondContact N-O 3.42Å; M1185-D1221 PolarHBondContact O-N 3.36Å; D1221-R1223 IonicContact OD2-CZ 2.6Å; D1221-R1223 IonicContact OD2-NE 3.29Å; D1221-R1223 PolarHBondContact OD2-NE 2.64Å; D1221-R1223 IonicContact OD2-NH2 3.83Å; D1221-R1223 PolarHBondContact OD2-NH2 2.97Å; D1221-Q1228 VanDerWaalsContact CG-NE2 3.33Å; D1221-Q1228 PolarHBondContact OD1-NE2 3.03Å; D1221-Q1228 PolarHBondContact OD2-NE2 2.69Å; D1221-P1233 HydrophobicContact CB-CB 4.47Å |
| 1222 | V | 87.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.5 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | F1171 I1173 V1182 E1183 P1184 V1229 L1232 | F1171-V1222 HydrophobicContact CE2-CG2 3.96Å; F1171-V1222 HydrophobicContact CZ-CG2 3.92Å; I1173-V1222 HydrophobicContact CD1-CB 3.71Å; I1173-V1222 HydrophobicContact CD1-CG1 3.48Å; I1173-V1222 VanDerWaalsContact CD1-CG1 3.48Å; I1173-V1222 HydrophobicContact CD1-CG2 3.84Å; V1182-V1222 HydrophobicContact CG1-CG1 3.72Å; E1183-V1222 WeakPolarHBondContact O-CA 3.22Å; P1184-V1222 HydrophobicContact CB-CG1 4.47Å; P1184-V1222 HydrophobicContact CB-CG2 3.96Å; V1222-V1229 HydrophobicContact CB-CG2 4.43Å; V1222-V1229 HydrophobicContact CG1-CG2 4.46Å; V1222-V1229 WeakPolarHBondContact O-CG2 3.46Å; V1222-V1229 PolarHBondContact O-N 2.86Å; V1222-V1229 VanDerWaalsContact O-N 3.09Å; V1222-L1232 HydrophobicContact CB-CD1 3.62Å; V1222-L1232 HydrophobicContact CG2-CD1 3.57Å |
| 1223 | R | 83 | Confident | 80.4 | Confident | 107 Ų | 107 | 53 Ų | 53 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148 | 175.5 | -60.6 | -177 | -168.1 | 173.3 | 3.9 | 111.6 | V1182 E1183 D1221 Q1227 | V1182-R1223 WeakPolarHBondContact CA-O 3.44Å; E1183-R1223 PolarHBondContact N-O 2.8Å; E1183-R1223 PolarHBondContact O-N 3.1Å; D1221-R1223 IonicContact OD2-CZ 2.6Å; D1221-R1223 IonicContact OD2-NE 3.29Å; D1221-R1223 PolarHBondContact OD2-NE 2.64Å; D1221-R1223 IonicContact OD2-NH2 3.83Å; D1221-R1223 PolarHBondContact OD2-NH2 2.97Å; R1223-Q1227 CarbonylContact C-O 3.55Å; R1223-Q1227 VanDerWaalsContact CA-O 3.26Å; R1223-Q1227 WeakPolarHBondContact CA-O 3.29Å |
| 1224 | V | 82.4 | Confident | 80.4 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 111.8 | 175.9 | 178 | 0 | 0 | 0 | 0 | 107.4 | A1153 T1180 S1181 V1182 D1226 Q1227 V1229 | A1153-V1224 HydrophobicContact CB-CB 4.2Å; A1153-V1224 HydrophobicContact CB-CG1 4.49Å; A1153-V1224 HydrophobicContact CB-CG2 4.09Å; T1180-V1224 HydrophobicContact CG2-CG1 3.53Å; S1181-V1224 VanDerWaalsContact O-CA 3.32Å; S1181-V1224 WeakPolarHBondContact O-CA 3.13Å; V1182-V1224 HydrophobicContact CG1-CG2 4.29Å; V1182-V1224 HydrophobicContact CG2-CG2 4.18Å; V1224-D1226 PolarHBondContact O-N 2.65Å; V1224-Q1227 PolarHBondContact N-O 2.92Å; V1224-Q1227 PolarHBondContact O-N 2.93Å; V1224-Q1227 VanDerWaalsContact O-N 3.16Å; V1224-V1229 HydrophobicContact CB-CG2 4.35Å; V1224-V1229 HydrophobicContact CG2-CG2 3.53Å |
| 1225 | N | 78 | Confident | 80.4 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45 | 59.9 | -170.7 | -66.6 | 3.1 | 0 | 0 | 0 | 112.5 | S1181 Q1227 | S1181-N1225 PolarHBondContact N-OD1 3.3Å; S1181-N1225 PolarHBondContact O-N 2.96Å; S1181-N1225 VanDerWaalsContact O-N 3.16Å; N1225-Q1227 PolarHBondContact O-N 3.23Å |
| 1226 | D | 74.8 | Confident | 80.4 | Confident | 145 Ų | 145 | 49.8 Ų | 49.8 | 78% | 0.775 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -14.4 | -175.7 | -70.7 | -56.5 | 0 | 0 | 0 | 117.5 | V1224 | V1224-D1226 PolarHBondContact O-N 2.65Š|
| 1227 | Q | 66.8 | Low | 80.8 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.1 | 173 | -60.8 | -160.4 | -88.4 | 0 | 0 | 111.5 | R1223 V1224 N1225 | R1223-Q1227 CarbonylContact C-O 3.55Å; R1223-Q1227 VanDerWaalsContact CA-O 3.26Å; R1223-Q1227 WeakPolarHBondContact CA-O 3.29Å; V1224-Q1227 PolarHBondContact N-O 2.92Å; V1224-Q1227 PolarHBondContact O-N 2.93Å; V1224-Q1227 VanDerWaalsContact O-N 3.16Å; N1225-Q1227 PolarHBondContact O-N 3.23Å |
| 1228 | Q | 82.6 | Confident | 81 | Confident | 94 Ų | 94 | 51.1 Ų | 51.1 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.3 | 176.8 | -174.3 | 161.7 | 51.3 | 0 | 0 | 111.3 | D1221 | D1221-Q1228 VanDerWaalsContact CG-NE2 3.33Å; D1221-Q1228 PolarHBondContact OD1-NE2 3.03Å; D1221-Q1228 PolarHBondContact OD2-NE2 2.69Å |
| 1229 | V | 80.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 131.6 | -178 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | A1153 V1155 I1173 V1222 V1224 G1231 L1232 | A1153-V1229 HydrophobicContact CB-CG2 4.1Å; V1155-V1229 HydrophobicContact CG2-CG1 4.06Å; I1173-V1229 HydrophobicContact CD1-CG1 4.4Å; I1173-V1229 HydrophobicContact CD1-CG2 4.33Å; I1173-V1229 HydrophobicContact CG1-CG1 4.42Å; I1173-V1229 HydrophobicContact CG2-CG1 4.09Å; I1173-V1229 HydrophobicContact CG2-CG2 4.24Å; V1222-V1229 HydrophobicContact CB-CG2 4.43Å; V1222-V1229 HydrophobicContact CG1-CG2 4.46Å; V1222-V1229 WeakPolarHBondContact O-CG2 3.46Å; V1222-V1229 PolarHBondContact O-N 2.86Å; V1222-V1229 VanDerWaalsContact O-N 3.09Å; V1224-V1229 HydrophobicContact CB-CG2 4.35Å; V1224-V1229 HydrophobicContact CG2-CG2 3.53Å; V1229-G1231 PolarHBondContact O-N 2.78Å; V1229-L1232 HydrophobicContact CB-CD1 4.28Å; V1229-L1232 HydrophobicContact CG1-CD1 4.46Å; V1229-L1232 PolarHBondContact O-N 2.84Å |
| 1230 | T | 73.2 | Confident | 81.3 | Confident | 100 Ų | 100 | 48.4 Ų | 48.4 | 61% | 0.613 | 26% | 0.26 | S | S | * | . | B | Isolated β-bridge | trans | -62.9 | 124.8 | 179.9 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | A1153 | A1153-T1230 PolarHBondContact O-N 3.03Å |
| 1231 | G | 68.4 | Low | 81 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104 | -0.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1229 | V1229-G1231 PolarHBondContact O-N 2.78Š|
| 1232 | L | 81 | Confident | 80.7 | Confident | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | trans | -126.2 | 150.9 | 174.6 | -63.8 | 175.6 | 0 | 0 | 0 | 110.8 | V1155 L1159 F1171 L1220 V1222 V1229 | V1155-L1232 HydrophobicContact CG2-CD1 4.18Å; V1155-L1232 HydrophobicContact CG2-CG 4.04Å; L1159-L1232 HydrophobicContact CD1-CD2 3.74Å; L1159-L1232 HydrophobicContact CD2-CD2 3.98Å; F1171-L1232 HydrophobicContact CE2-CD1 4.45Å; L1220-L1232 HydrophobicContact CB-CD2 4.19Å; V1222-L1232 HydrophobicContact CB-CD1 3.62Å; V1222-L1232 HydrophobicContact CG2-CD1 3.57Å; V1229-L1232 HydrophobicContact CB-CD1 4.28Å; V1229-L1232 HydrophobicContact CG1-CD1 4.46Å; V1229-L1232 PolarHBondContact O-N 2.84Å | ||
| 1233 | P | 76.5 | Confident | 80.6 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | S | Bend | cis | -71.4 | 155.7 | 6.4 | -14.4 | 30.3 | 0 | 0 | 0 | 113.7 | L1220 D1221 | L1220-P1233 CarbonylContact O-C 3.57Å; L1220-P1233 WeakPolarHBondContact O-CA 3.34Å; D1221-P1233 HydrophobicContact CB-CB 4.47Å |
| 1234 | S | 82.2 | Confident | 80.4 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 174.4 | 175.1 | -161.2 | 0 | 0 | 0 | 0 | 110.8 | L1220 | L1220-S1234 PolarHBondContact N-O 3.01Å; L1220-S1234 PolarHBondContact O-N 3.13Å |
| 1235 | T | 82.3 | Confident | 80.2 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.4 | -175.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | D1217 H1218 Q1219 R1237 | D1217-T1235 HydrophobicContact CB-CG2 3.57Å; D1217-T1235 VanDerWaalsContact OD2-CG2 3.26Å; D1217-T1235 WeakPolarHBondContact OD2-CG2 3.44Å; H1218-T1235 WeakPolarHBondContact O-CA 3.17Å; Q1219-T1235 PolarHBondContact NE2-OG1 2.92Å; Q1219-T1235 VanDerWaalsContact NE2-OG1 3.13Å; T1235-R1237 HydrophobicContact CG2-CG 4.44Å |
| 1236 | C | 82.3 | Confident | 80 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.6 | 170.2 | 170.2 | 0 | 0 | 0 | 0 | 109 | P1160 V1163 F1210 H1218 L1220 | P1160-C1236 WeakPolarHBondContact O-CA 3.46Å; P1160-C1236 VanDerWaalsContact O-CB 3.26Å; P1160-C1236 WeakPolarHBondContact O-CB 3.36Å; P1160-C1236 PolarHBondContact O-SG 3.49Å; P1160-C1236 VanDerWaalsContact O-SG 3.39Å; V1163-C1236 VanDerWaalsContact CG2-SG 3.54Å; F1210-C1236 HydrophobicContact CZ-CB 4.38Å; H1218-C1236 HydrophobicContact CB-CB 4.41Å; H1218-C1236 PolarHBondContact N-O 3.07Å; H1218-C1236 PolarHBondContact O-N 2.8Å; L1220-C1236 HydrophobicContact CD1-CB 3.98Å; L1220-C1236 HydrophobicContact CD2-CB 4.22Å; L1220-C1236 HydrophobicContact CG-CB 4.07Å |
| 1237 | R | 86 | Confident | 79.6 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.7 | 180 | -75.8 | 140.3 | 163.3 | -138.5 | -11.4 | 111.2 | K1161 L1162 V1163 D1217 T1235 M1273 | K1161-R1237 WeakPolarHBondContact O-CB 3.34Å; K1161-R1237 PolarHBondContact O-N 2.88Å; L1162-R1237 CarbonylContact C-O 3.51Å; L1162-R1237 VanDerWaalsContact CA-O 3.27Å; L1162-R1237 WeakPolarHBondContact CA-O 3.39Å; L1162-R1237 HydrophobicContact CD1-CB 4.06Å; V1163-R1237 PolarHBondContact N-O 3.47Å; D1217-R1237 HydrophobicContact CB-CG 4.5Å; D1217-R1237 WeakPolarHBondContact OD1-CG 3.26Å; D1217-R1237 IonicContact OD1-NE 3.74Å; D1217-R1237 WeakPolarHBondContact OD2-CG 3.07Å; D1217-R1237 IonicContact OD2-CZ 3.34Å; D1217-R1237 IonicContact OD2-NE 2.67Å; D1217-R1237 PolarHBondContact OD2-NE 3.19Å; D1217-R1237 IonicContact OD2-NH2 3.21Å; D1217-R1237 PolarHBondContact OD2-NH2 3Å; D1217-R1237 VanDerWaalsContact OD2-NH2 3.16Å; T1235-R1237 HydrophobicContact CG2-CG 4.44Å; R1237-M1273 HydrophobicContact CB-CE 4.38Å; R1237-M1273 HydrophobicContact CB-CG 4.1Å; R1237-M1273 HydrophobicContact CB-SD 3.75Å; R1237-M1273 WeakPolarHBondContact CD-SD 3.39Å; R1237-M1273 HydrophobicContact CG-CE 3.78Å; R1237-M1273 HydrophobicContact CG-CG 4.46Å; R1237-M1273 HydrophobicContact CG-SD 3.51Å; R1237-M1273 VanDerWaalsContact CG-SD 3.51Å |
| 1238 | V | 86.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.5 | -172.2 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | V1163 A1165 P1212 A1214 V1215 G1216 H1218 | V1163-V1238 CarbonylContact O-C 3.58Å; V1163-V1238 VanDerWaalsContact O-CA 3.29Å; V1163-V1238 WeakPolarHBondContact O-CA 3.12Å; A1165-V1238 HydrophobicContact CB-CG1 3.93Å; P1212-V1238 HydrophobicContact CB-CB 4.44Å; P1212-V1238 HydrophobicContact CB-CG1 4.04Å; P1212-V1238 HydrophobicContact CB-CG2 3.6Å; P1212-V1238 HydrophobicContact CG-CG1 4.08Å; P1212-V1238 HydrophobicContact CG-CG2 3.79Å; A1214-V1238 WeakPolarHBondContact O-CB 3.46Å; A1214-V1238 WeakPolarHBondContact O-CG1 3.34Å; V1215-V1238 WeakPolarHBondContact CG1-O 3.41Å; G1216-V1238 PolarHBondContact N-O 2.8Å; G1216-V1238 PolarHBondContact O-N 3.33Å; G1216-V1238 VanDerWaalsContact O-N 3.07Å; H1218-V1238 WeakPolarHBondContact ND1-CG2 3.33Å |
| 1239 | Y | 89 | Confident | 78.9 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.9 | -176.7 | 77.6 | -93.6 | 0 | 0 | 0 | 111.6 | L1162 V1163 S1164 A1165 A1271 F1315 N1316 D1318 | L1162-Y1239 HydrophobicContact CD1-CD1 3.79Å; L1162-Y1239 HydrophobicContact CD1-CE1 4.47Å; L1162-Y1239 HydrophobicContact CD2-CD1 4.4Å; L1162-Y1239 HydrophobicContact CD2-CE1 4.39Å; L1162-Y1239 HydrophobicContact CG-CD1 3.81Å; L1162-Y1239 HydrophobicContact CG-CE1 3.98Å; V1163-Y1239 WeakPolarHBondContact O-CD1 3.31Å; V1163-Y1239 PolarHBondContact O-N 2.85Å; S1164-Y1239 CarbonylContact C-O 3.5Å; S1164-Y1239 WeakPolarHBondContact CA-O 3.46Å; A1165-Y1239 PolarHBondContact N-O 3.26Å; Y1239-A1271 CarbonylContact C-O 3.56Å; Y1239-A1271 WeakPolarHBondContact CA-O 3Å; Y1239-A1271 VanDerWaalsContact CB-O 3.31Å; Y1239-A1271 WeakPolarHBondContact CB-O 3.27Å; Y1239-F1315 AromaticContact CD2-CD1 3.88Å; Y1239-F1315 HydrophobicContact CD2-CD1 3.88Å; Y1239-F1315 HydrophobicContact CD2-CE1 4.07Å; Y1239-F1315 HydrophobicContact CE2-CD1 4.43Å; Y1239-F1315 HydrophobicContact CG-CE1 4.46Å; Y1239-N1316 VanDerWaalsContact CD1-ND2 3.27Å; Y1239-N1316 WeakPolarHBondContact CD1-ND2 3.31Å; Y1239-N1316 HydrophobicContact CD2-CB 4.36Å; Y1239-N1316 WeakPolarHBondContact CD2-ND2 3.29Å; Y1239-N1316 HydrophobicContact CE1-CB 3.91Å; Y1239-N1316 HydrophobicContact CE2-CB 3.76Å; Y1239-D1318 PolarHBondContact OH-OD2 3.48Å |
| 1240 | D | 86.9 | Confident | 78.1 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | trans | -138.2 | 95.5 | -178.7 | -175.7 | -7.5 | 0 | 0 | 0 | 110.4 | A1165 V1215 S1242 R1243 A1271 | A1165-D1240 HydrophobicContact CB-CB 4Å; V1215-D1240 HydrophobicContact CG2-CB 3.54Å; D1240-S1242 PolarHBondContact O-N 2.85Å; D1240-S1242 VanDerWaalsContact O-N 3.13Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.28Å; D1240-S1242 PolarHBondContact OD1-N 3.07Å; D1240-S1242 PolarHBondContact OD1-OG 3.45Å; D1240-R1243 HydrophobicContact CB-CG 4.2Å; D1240-R1243 PolarHBondContact O-N 3.34Å; D1240-R1243 WeakPolarHBondContact OD2-CG 2.96Å; D1240-R1243 IonicContact OD2-NE 2.77Å; D1240-R1243 PolarHBondContact OD2-NE 3.18Å; D1240-A1271 PolarHBondContact N-O 3.05Å; D1240-A1271 WeakPolarHBondContact O-CA 3.02Å; D1240-A1271 VanDerWaalsContact O-CB 3.31Å; D1240-A1271 WeakPolarHBondContact O-CB 3.29Å | ||
| 1241 | A | 83.4 | Confident | 77.8 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -64.2 | -15.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1243 F1315 D1318 P1321 | A1241-R1243 VanDerWaalsContact C-N 3.29Å; A1241-R1243 PolarHBondContact O-N 3.11Å; A1241-F1315 HydrophobicContact CB-CB 4.19Å; A1241-F1315 HydrophobicContact CB-CD1 4.38Å; A1241-D1318 HydrophobicContact CB-CB 3.99Å; A1241-P1321 WeakPolarHBondContact O-CD 3.41Å |
| 1242 | S | 83.5 | Confident | 77.6 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -75.9 | -17.1 | 177.4 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | D1240 I1244 | D1240-S1242 PolarHBondContact O-N 2.85Å; D1240-S1242 VanDerWaalsContact O-N 3.13Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.28Å; D1240-S1242 PolarHBondContact OD1-N 3.07Å; D1240-S1242 PolarHBondContact OD1-OG 3.45Å; S1242-I1244 VanDerWaalsContact C-N 3.32Å |
| 1243 | R | 84.4 | Confident | 76.5 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -89.1 | 8.3 | 175.9 | -61.1 | -178.1 | -173 | -134.8 | 7.7 | 114.1 | D1240 A1241 E1245 E1270 | D1240-R1243 HydrophobicContact CB-CG 4.2Å; D1240-R1243 PolarHBondContact O-N 3.34Å; D1240-R1243 WeakPolarHBondContact OD2-CG 2.96Å; D1240-R1243 IonicContact OD2-NE 2.77Å; D1240-R1243 PolarHBondContact OD2-NE 3.18Å; A1241-R1243 VanDerWaalsContact C-N 3.29Å; A1241-R1243 PolarHBondContact O-N 3.11Å; R1243-E1245 PolarHBondContact O-N 2.9Å; R1243-E1270 HydrophobicContact CB-CB 4.05Å; R1243-E1270 VanDerWaalsContact CD-O 3.27Å; R1243-E1270 WeakPolarHBondContact CD-O 3.45Å; R1243-E1270 IonicContact CZ-OE2 2.64Å; R1243-E1270 IonicContact NH1-OE2 3.95Å; R1243-E1270 PolarHBondContact NH1-OE2 2.74Å |
| 1244 | I | 78.6 | Confident | 75.9 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -85.7 | 108.5 | 174.2 | -61.7 | -177.2 | 0 | 0 | 0 | 108.6 | S1242 V1246 I1266 N1267 A1268 A1271 L1276 F1315 V1320 | S1242-I1244 VanDerWaalsContact C-N 3.32Å; I1244-V1246 HydrophobicContact CG2-CG2 4.35Å; I1244-I1266 HydrophobicContact CG2-CG2 3.58Å; I1244-N1267 WeakPolarHBondContact CA-O 2.9Å; I1244-A1268 HydrophobicContact CD1-CB 4.02Å; I1244-A1268 HydrophobicContact CG1-CB 3.88Å; I1244-A1268 HydrophobicContact CG2-CB 4.45Å; I1244-A1271 HydrophobicContact CD1-CB 3.85Å; I1244-A1271 HydrophobicContact CG1-CB 3.34Å; I1244-L1276 HydrophobicContact CD1-CD1 4.49Å; I1244-F1315 HydrophobicContact CD1-CB 3.4Å; I1244-F1315 HydrophobicContact CD1-CD1 3.66Å; I1244-F1315 HydrophobicContact CD1-CD2 3.55Å; I1244-F1315 HydrophobicContact CD1-CE1 4.2Å; I1244-F1315 HydrophobicContact CD1-CE2 4.12Å; I1244-F1315 HydrophobicContact CD1-CG 3.27Å; I1244-F1315 HydrophobicContact CD1-CZ 4.4Å; I1244-V1320 HydrophobicContact CB-CG1 3.93Å; I1244-V1320 HydrophobicContact CB-CG2 4.17Å; I1244-V1320 HydrophobicContact CD1-CG2 3.93Å; I1244-V1320 HydrophobicContact CG2-CG1 3.72Å; I1244-V1320 HydrophobicContact CG2-CG2 4.12Å | ||
| 1245 | E | 78.7 | Confident | 74.8 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 171.8 | -62.7 | -177.2 | 124.1 | 0 | 0 | 109.3 | R1243 I1266 N1267 | R1243-E1245 PolarHBondContact O-N 2.9Å; E1245-I1266 WeakPolarHBondContact O-CA 3.47Å; E1245-N1267 HydrophobicContact CB-CB 4.36Å; E1245-N1267 PolarHBondContact N-O 2.83Å; E1245-N1267 PolarHBondContact O-N 3.01Å |
| 1246 | V | 74 | Confident | 73.4 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.8 | 169.9 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | I1244 I1266 I1313 V1320 F1325 | I1244-V1246 HydrophobicContact CG2-CG2 4.35Å; V1246-I1266 HydrophobicContact CG1-CG1 4.27Å; V1246-I1266 HydrophobicContact CG2-CG1 4.28Å; V1246-I1266 HydrophobicContact CG2-CG2 4.48Å; V1246-I1313 HydrophobicContact CG1-CD1 4.02Å; V1246-I1313 HydrophobicContact CG2-CD1 4.11Å; V1246-V1320 HydrophobicContact CG2-CG1 3.49Å; V1246-V1320 VanDerWaalsContact CG2-CG1 3.49Å; V1246-F1325 HydrophobicContact CB-CE1 4.12Å; V1246-F1325 HydrophobicContact CB-CE2 4.15Å; V1246-F1325 HydrophobicContact CB-CZ 3.55Å; V1246-F1325 HydrophobicContact CG1-CD2 4.46Å; V1246-F1325 HydrophobicContact CG1-CE1 3.98Å; V1246-F1325 HydrophobicContact CG1-CE2 3.87Å; V1246-F1325 HydrophobicContact CG1-CZ 3.6Å; V1246-F1325 HydrophobicContact CG2-CE2 4.12Å; V1246-F1325 HydrophobicContact CG2-CZ 3.86Å |
| 1247 | S | 66.1 | Low | 72.2 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | trans | -79.2 | -173.4 | -177.6 | -44.5 | 0 | 0 | 0 | 0 | 111.7 | I1249 I1263 S1265 | S1247-I1249 PolarHBondContact O-N 2.81Å; S1247-I1263 VanDerWaalsContact CB-C 3.42Å; S1247-I1263 WeakPolarHBondContact CB-O 3.42Å; S1247-S1265 WeakPolarHBondContact CB-O 3.06Å; S1247-S1265 PolarHBondContact N-O 3.4Å; S1247-S1265 PolarHBondContact OG-O 2.82Å | ||
| 1248 | R | 66.1 | Low | 71.4 | Confident | 222 Ų | 222 | 54 Ų | 54 | 84% | 0.838 | 28% | 0.279 | S | S | * | . | trans | -77.3 | 114.2 | -170.8 | -148.5 | -174.5 | -151.7 | -159.6 | 8.6 | 110.7 | I1263 G1264 | R1248-I1263 PolarHBondContact N-O 3.08Å; R1248-G1264 WeakPolarHBondContact O-CA 3.27Å | ||
| 1249 | I | 68.9 | Low | 70.4 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61 | 130.5 | 179 | -60.1 | -170.6 | 0 | 0 | 0 | 110.4 | S1247 F1260 V1311 F1325 | S1247-I1249 PolarHBondContact O-N 2.81Å; I1249-F1260 HydrophobicContact CB-CE2 4.44Å; I1249-F1260 HydrophobicContact CB-CZ 4.32Å; I1249-F1260 HydrophobicContact CD1-CE2 3.56Å; I1249-F1260 HydrophobicContact CD1-CZ 3.71Å; I1249-F1260 HydrophobicContact CG1-CD2 4.32Å; I1249-F1260 HydrophobicContact CG1-CE2 3.63Å; I1249-F1260 HydrophobicContact CG1-CZ 3.92Å; I1249-F1260 HydrophobicContact CG2-CE1 3.89Å; I1249-F1260 HydrophobicContact CG2-CE2 4.17Å; I1249-F1260 HydrophobicContact CG2-CZ 3.57Å; I1249-V1311 HydrophobicContact CD1-CB 4.18Å; I1249-V1311 HydrophobicContact CD1-CG2 4.31Å; I1249-F1325 HydrophobicContact CD1-CB 3.28Å; I1249-F1325 HydrophobicContact CD1-CD1 4.44Å; I1249-F1325 HydrophobicContact CD1-CD2 4.37Å; I1249-F1325 HydrophobicContact CD1-CG 3.83Å; I1249-F1325 HydrophobicContact CG1-CB 4.32Å |
| 1250 | P | 63.1 | Low | 69.3 | Low | 50 Ų | 50 | 57 Ų | 57 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.1 | 178.7 | 29 | -35.7 | 0 | 0 | 0 | 112.7 | V1258 F1260 S1327 | P1250-V1258 HydrophobicContact CG-CG1 3.94Å; P1250-F1260 HydrophobicContact CG-CD1 4.47Å; P1250-S1327 PolarHBondContact O-OG 3.42Å |
| 1251 | D | 65.7 | Low | 67.4 | Low | 82 Ų | 82 | 58.9 Ų | 58.9 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 147.1 | 173.7 | -79.9 | -12 | 0 | 0 | 0 | 111.4 | S1327 R1328 L1330 | D1251-S1327 WeakPolarHBondContact CA-OG 3.12Å; D1251-R1328 CarbonylContact C-O 3.5Å; D1251-R1328 WeakPolarHBondContact CA-O 3.48Å; D1251-R1328 WeakPolarHBondContact CB-O 3.35Å; D1251-R1328 WeakPolarHBondContact OD1-CB 3.42Å; D1251-L1330 HydrophobicContact CB-CD1 3.72Å; D1251-L1330 HydrophobicContact CB-CG 4.08Å |
| 1252 | I | 64.9 | Low | 66 | Low | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 149.4 | -164.3 | -29.7 | 178.6 | 0 | 0 | 0 | 111.6 | V1258 P1303 H1309 S1327 R1328 V1329 L1330 | I1252-V1258 HydrophobicContact CG2-CG2 3.86Å; I1252-P1303 HydrophobicContact CG2-CB 3.8Å; I1252-P1303 HydrophobicContact CG2-CG 3.22Å; I1252-H1309 HydrophobicContact CD1-CB 3.73Å; I1252-S1327 WeakPolarHBondContact CG1-OG 3.42Å; I1252-R1328 PolarHBondContact N-O 3.23Å; I1252-V1329 HydrophobicContact CB-CG2 4.32Å; I1252-V1329 HydrophobicContact CD1-CG2 4.29Å; I1252-V1329 CarbonylContact O-C 3.55Å; I1252-V1329 VanDerWaalsContact O-CA 3.29Å; I1252-V1329 WeakPolarHBondContact O-CA 3.32Å; I1252-L1330 PolarHBondContact O-N 2.85Å |
| 1253 | Q | 58.8 | Low | 63.9 | Low | 51 Ų | 51 | 63.9 Ų | 63.9 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | trans | -128.1 | 138.2 | 162.8 | -86.8 | 170.4 | -6.1 | 0 | 0 | 110.9 | K1256 L1330 P1331 V1332 | Q1253-K1256 HydrophobicContact CB-CB 4.3Å; Q1253-K1256 HydrophobicContact CB-CG 4.32Å; Q1253-K1256 PolarHBondContact O-N 2.76Å; Q1253-L1330 HydrophobicContact CG-CB 4.27Å; Q1253-L1330 WeakPolarHBondContact CG-O 3.1Å; Q1253-P1331 PolarHBondContact NE2-O 2.86Å; Q1253-V1332 VanDerWaalsContact CD-CG2 3.41Å; Q1253-V1332 HydrophobicContact CG-CG2 4.05Å | ||
| 1254 | P | 62.3 | Low | 62.1 | Low | 49 Ų | 49 | 59.2 Ų | 59.2 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 140.8 | -177.2 | -21.4 | 34 | 0 | 0 | 0 | 112.3 | K1256 P1303 V1329 | P1254-K1256 PolarHBondContact O-N 3.17Å; P1254-K1256 VanDerWaalsContact O-N 3.12Å; P1254-P1303 WeakPolarHBondContact CA-O 3.44Å; P1254-V1329 HydrophobicContact CG-CG1 3.94Å |
| 1255 | S | 60.5 | Low | 61.3 | Low | 50 Ų | 50 | 59.5 Ų | 59.5 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.1 | 179.8 | -49.8 | 0 | 0 | 0 | 0 | 115.6 | P1303 | S1255-P1303 PolarHBondContact N-O 2.86Š|
| 1256 | K | 52.1 | Low | 61.3 | Low | 78 Ų | 78 | 53.3 Ų | 53.3 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -104.3 | 132.5 | 166.9 | -81.5 | -87 | -171.2 | 171 | 0 | 108.8 | Q1253 P1254 V1258 P1303 P1412 | Q1253-K1256 HydrophobicContact CB-CB 4.3Å; Q1253-K1256 HydrophobicContact CB-CG 4.32Å; Q1253-K1256 PolarHBondContact O-N 2.76Å; P1254-K1256 PolarHBondContact O-N 3.17Å; P1254-K1256 VanDerWaalsContact O-N 3.12Å; K1256-V1258 PolarHBondContact O-N 2.92Å; K1256-P1303 WeakPolarHBondContact O-CD 3.39Å; K1256-P1412 PolarHBondContact NZ-O 2.9Å |
| 1257 | P | 58.2 | Low | 61.4 | Low | 79 Ų | 79 | 52.9 Ų | 52.9 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | trans | -62 | 124.8 | 170.1 | 26.3 | -32.7 | 0 | 0 | 0 | 109.4 | V1302 | P1257-V1302 HydrophobicContact CB-CG2 4.13Š| ||
| 1258 | V | 67.8 | Low | 62 | Low | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.1 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | P1250 I1252 K1256 F1260 S1300 F1301 P1303 | P1250-V1258 HydrophobicContact CG-CG1 3.94Å; I1252-V1258 HydrophobicContact CG2-CG2 3.86Å; K1256-V1258 PolarHBondContact O-N 2.92Å; V1258-F1260 HydrophobicContact CG1-CD1 4.26Å; V1258-F1260 HydrophobicContact CG1-CE1 4.05Å; V1258-S1300 WeakPolarHBondContact O-CA 3.49Å; V1258-S1300 WeakPolarHBondContact O-CB 3.34Å; V1258-F1301 PolarHBondContact N-O 3.49Å; V1258-F1301 PolarHBondContact O-N 2.84Å; V1258-P1303 HydrophobicContact CG2-CG 4.11Å |
| 1259 | H | 64.7 | Low | 62.3 | Low | 83 Ų | 83 | 43.2 Ų | 43.2 | 38% | 0.384 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 148.2 | 175.4 | -76.7 | -103.5 | 0 | 0 | 0 | 109.9 | I1261 D1298 | H1259-I1261 HydrophobicContact CB-CD1 3.85Å; H1259-I1261 HydrophobicContact CB-CG1 4.08Å; H1259-D1298 IonicContact CE1-OD2 3.47Å; H1259-D1298 IonicContact CG-OD2 2.78Å; H1259-D1298 IonicContact ND1-OD2 2.69Å; H1259-D1298 PolarHBondContact ND1-OD2 3Å |
| 1260 | F | 67.4 | Low | 62.9 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -103.5 | 50.3 | -176.4 | -75.6 | 30.6 | 0 | 0 | 0 | 110 | I1249 P1250 V1258 G1264 S1265 D1298 I1299 F1301 V1311 | I1249-F1260 HydrophobicContact CB-CE2 4.44Å; I1249-F1260 HydrophobicContact CB-CZ 4.32Å; I1249-F1260 HydrophobicContact CD1-CE2 3.56Å; I1249-F1260 HydrophobicContact CD1-CZ 3.71Å; I1249-F1260 HydrophobicContact CG1-CD2 4.32Å; I1249-F1260 HydrophobicContact CG1-CE2 3.63Å; I1249-F1260 HydrophobicContact CG1-CZ 3.92Å; I1249-F1260 HydrophobicContact CG2-CE1 3.89Å; I1249-F1260 HydrophobicContact CG2-CE2 4.17Å; I1249-F1260 HydrophobicContact CG2-CZ 3.57Å; P1250-F1260 HydrophobicContact CG-CD1 4.47Å; V1258-F1260 HydrophobicContact CG1-CD1 4.26Å; V1258-F1260 HydrophobicContact CG1-CE1 4.05Å; F1260-G1264 CarbonylContact O-C 3.48Å; F1260-G1264 VanDerWaalsContact O-C 3.31Å; F1260-S1265 WeakPolarHBondContact O-CA 3.37Å; F1260-S1265 WeakPolarHBondContact O-CB 3.07Å; F1260-S1265 PolarHBondContact O-N 2.71Å; F1260-D1298 WeakPolarHBondContact CA-OD1 3.38Å; F1260-D1298 PolarHBondContact N-OD1 3.48Å; F1260-I1299 HydrophobicContact CB-CB 4.08Å; F1260-I1299 HydrophobicContact CD1-CB 4.12Å; F1260-I1299 VanDerWaalsContact CD1-O 3.31Å; F1260-I1299 WeakPolarHBondContact CD1-O 3.2Å; F1260-I1299 HydrophobicContact CD2-CB 3.65Å; F1260-I1299 HydrophobicContact CD2-CG1 3.84Å; F1260-I1299 HydrophobicContact CD2-CG2 4.35Å; F1260-I1299 HydrophobicContact CE1-CB 4.43Å; F1260-I1299 HydrophobicContact CE1-CG2 4.4Å; F1260-I1299 HydrophobicContact CE2-CB 3.98Å; F1260-I1299 HydrophobicContact CE2-CG1 4.21Å; F1260-I1299 HydrophobicContact CE2-CG2 4.17Å; F1260-I1299 HydrophobicContact CG-CB 3.71Å; F1260-I1299 HydrophobicContact CG-CG1 4.31Å; F1260-I1299 HydrophobicContact CZ-CB 4.35Å; F1260-I1299 HydrophobicContact CZ-CG2 4.2Å; F1260-I1299 PolarHBondContact N-O 3.2Å; F1260-F1301 HydrophobicContact CE1-CD1 4.47Å; F1260-F1301 AromaticContact CE1-CE1 3.69Å; F1260-F1301 HydrophobicContact CE1-CE1 3.69Å; F1260-F1301 AromaticContact CZ-CE1 3.92Å; F1260-F1301 HydrophobicContact CZ-CE1 3.92Å; F1260-V1311 HydrophobicContact CE2-CG1 4.43Å; F1260-V1311 HydrophobicContact CZ-CG1 4.37Å; F1260-V1311 HydrophobicContact CZ-CG2 4.28Å | ||
| 1261 | I | 46.5 | Very low | 63.6 | Low | 59 Ų | 59 | 45.3 Ų | 45.3 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | trans | -90.2 | 146.7 | -175.3 | -61.9 | 166.2 | 0 | 0 | 0 | 110.4 | H1259 I1263 D1298 L1399 T1417 | H1259-I1261 HydrophobicContact CB-CD1 3.85Å; H1259-I1261 HydrophobicContact CB-CG1 4.08Å; I1261-I1263 PolarHBondContact O-N 3.06Å; I1261-D1298 HydrophobicContact CG1-CB 4.45Å; I1261-L1399 HydrophobicContact CG2-CD2 4.19Å; I1261-T1417 HydrophobicContact CG2-CG2 3.65Å | ||
| 1262 | G | 53.3 | Low | 63.8 | Low | 43 Ų | 43 | 42.2 Ų | 42.2 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | 69.3 | -121.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1264 S1265 | G1262-G1264 PolarHBondContact O-N 3.06Å; G1262-S1265 WeakPolarHBondContact O-CB 3.45Å; G1262-S1265 PolarHBondContact O-N 3.26Å; G1262-S1265 PolarHBondContact O-OG 3.02Å |
| 1263 | I | 39.3 | Very low | 64 | Low | 149 Ų | 149 | 45.2 Ų | 45.2 | 76% | 0.764 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -72.5 | 8.1 | -176.7 | -21.5 | 178.2 | 0 | 0 | 0 | 113.4 | S1247 R1248 I1261 | S1247-I1263 VanDerWaalsContact CB-C 3.42Å; S1247-I1263 WeakPolarHBondContact CB-O 3.42Å; R1248-I1263 PolarHBondContact N-O 3.08Å; I1261-I1263 PolarHBondContact O-N 3.06Å |
| 1264 | G | 47.4 | Very low | 64.3 | Low | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -105.3 | -9.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1248 F1260 G1262 | R1248-G1264 WeakPolarHBondContact O-CA 3.27Å; F1260-G1264 CarbonylContact O-C 3.48Å; F1260-G1264 VanDerWaalsContact O-C 3.31Å; G1262-G1264 PolarHBondContact O-N 3.06Å |
| 1265 | S | 61.4 | Low | 64.6 | Low | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | trans | -70.4 | 152.8 | -167.2 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | S1247 F1260 G1262 | S1247-S1265 WeakPolarHBondContact CB-O 3.06Å; S1247-S1265 PolarHBondContact N-O 3.4Å; S1247-S1265 PolarHBondContact OG-O 2.82Å; F1260-S1265 WeakPolarHBondContact O-CA 3.37Å; F1260-S1265 WeakPolarHBondContact O-CB 3.07Å; F1260-S1265 PolarHBondContact O-N 2.71Å; G1262-S1265 WeakPolarHBondContact O-CB 3.45Å; G1262-S1265 PolarHBondContact O-N 3.26Å; G1262-S1265 PolarHBondContact O-OG 3.02Å | ||
| 1266 | I | 77.9 | Confident | 65.3 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.9 | 173.4 | -59.4 | 174.1 | 0 | 0 | 0 | 108.5 | I1244 E1245 V1246 L1276 R1296 Y1297 I1299 I1313 | I1244-I1266 HydrophobicContact CG2-CG2 3.58Å; E1245-I1266 WeakPolarHBondContact O-CA 3.47Å; V1246-I1266 HydrophobicContact CG1-CG1 4.27Å; V1246-I1266 HydrophobicContact CG2-CG1 4.28Å; V1246-I1266 HydrophobicContact CG2-CG2 4.48Å; I1266-L1276 HydrophobicContact CD1-CD2 3.91Å; I1266-L1276 HydrophobicContact CG2-CD1 4.43Å; I1266-L1276 HydrophobicContact CG2-CD2 4.29Å; I1266-R1296 CarbonylContact O-C 3.55Å; I1266-R1296 WeakPolarHBondContact O-CA 2.98Å; I1266-Y1297 PolarHBondContact N-O 3.4Å; I1266-Y1297 PolarHBondContact O-N 3.08Å; I1266-I1299 HydrophobicContact CD1-CD1 3.63Å; I1266-I1299 HydrophobicContact CD1-CG1 3.48Å; I1266-I1299 VanDerWaalsContact CD1-CG1 3.48Å; I1266-I1299 HydrophobicContact CG1-CG1 4.34Å; I1266-I1313 HydrophobicContact CD1-CD1 3.69Å; I1266-I1313 HydrophobicContact CD1-CG2 4.42Å; I1266-I1313 HydrophobicContact CG1-CD1 4.46Å |
| 1267 | N | 77.7 | Confident | 66.5 | Low | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112 | 175.9 | -176.2 | 41.4 | 0 | 0 | 0 | 110.3 | I1244 E1245 S1269 R1296 | I1244-N1267 WeakPolarHBondContact CA-O 2.9Å; E1245-N1267 HydrophobicContact CB-CB 4.36Å; E1245-N1267 PolarHBondContact N-O 2.83Å; E1245-N1267 PolarHBondContact O-N 3.01Å; N1267-S1269 PolarHBondContact ND2-OG 3.15Å; N1267-S1269 PolarHBondContact OD1-OG 3.18Å; N1267-R1296 HydrophobicContact CB-CG 4.35Å; N1267-R1296 WeakPolarHBondContact OD1-CG 3.44Å; N1267-R1296 PolarHBondContact OD1-NE 2.92Å |
| 1268 | A | 78.1 | Confident | 67.5 | Low | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | trans | -112 | 17.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1244 E1270 A1271 H1295 Y1297 | I1244-A1268 HydrophobicContact CD1-CB 4.02Å; I1244-A1268 HydrophobicContact CG1-CB 3.88Å; I1244-A1268 HydrophobicContact CG2-CB 4.45Å; A1268-E1270 PolarHBondContact O-N 3.12Å; A1268-A1271 HydrophobicContact CB-CB 4.14Å; A1268-A1271 WeakPolarHBondContact O-CB 3.41Å; A1268-A1271 PolarHBondContact O-N 3.22Å; A1268-H1295 HydrophobicContact CB-CB 4.4Å; A1268-H1295 WeakPolarHBondContact CB-O 3.32Å; A1268-H1295 PolarHBondContact N-O 3.47Å; A1268-Y1297 HydrophobicContact CB-CE2 4.15Å | ||
| 1269 | S | 73.3 | Confident | 67.8 | Low | 60 Ų | 60 | 43.1 Ų | 43.1 | 42% | 0.42 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.7 | -174.7 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | N1267 | N1267-S1269 PolarHBondContact ND2-OG 3.15Å; N1267-S1269 PolarHBondContact OD1-OG 3.18Å |
| 1270 | E | 79.9 | Confident | 68.6 | Low | 117 Ų | 117 | 39.2 Ų | 39.2 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -4.9 | 174.3 | -71.3 | -155.8 | -157.6 | 0 | 0 | 114.2 | R1243 A1268 G1272 | R1243-E1270 HydrophobicContact CB-CB 4.05Å; R1243-E1270 VanDerWaalsContact CD-O 3.27Å; R1243-E1270 WeakPolarHBondContact CD-O 3.45Å; R1243-E1270 IonicContact CZ-OE2 2.64Å; R1243-E1270 IonicContact NH1-OE2 3.95Å; R1243-E1270 PolarHBondContact NH1-OE2 2.74Å; A1268-E1270 PolarHBondContact O-N 3.12Å; E1270-G1272 PolarHBondContact O-N 2.84Å |
| 1271 | A | 77.9 | Confident | 69.2 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -78.2 | -5.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1239 D1240 I1244 A1268 F1315 | Y1239-A1271 CarbonylContact C-O 3.56Å; Y1239-A1271 WeakPolarHBondContact CA-O 3Å; Y1239-A1271 VanDerWaalsContact CB-O 3.31Å; Y1239-A1271 WeakPolarHBondContact CB-O 3.27Å; D1240-A1271 PolarHBondContact N-O 3.05Å; D1240-A1271 WeakPolarHBondContact O-CA 3.02Å; D1240-A1271 VanDerWaalsContact O-CB 3.31Å; D1240-A1271 WeakPolarHBondContact O-CB 3.29Å; I1244-A1271 HydrophobicContact CD1-CB 3.85Å; I1244-A1271 HydrophobicContact CG1-CB 3.34Å; A1268-A1271 HydrophobicContact CB-CB 4.14Å; A1268-A1271 WeakPolarHBondContact O-CB 3.41Å; A1268-A1271 PolarHBondContact O-N 3.22Å; A1271-F1315 HydrophobicContact CB-CD1 4.47Å; A1271-F1315 HydrophobicContact CB-CE1 3.92Å; A1271-F1315 HydrophobicContact CB-CZ 4.23Å |
| 1272 | G | 70.1 | Confident | 70.6 | Confident | 16 Ų | 16 | 44 Ų | 44 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | 77.2 | -159.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1270 | E1270-G1272 PolarHBondContact O-N 2.84Š| ||
| 1273 | M | 69.4 | Low | 71 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -89.2 | 133.2 | -176.3 | 63.7 | -179.7 | 74.4 | 0 | 0 | 112.8 | L1162 D1217 R1237 N1316 | L1162-M1273 HydrophobicContact CD1-CG 4.32Å; D1217-M1273 WeakPolarHBondContact OD1-CE 3.47Å; R1237-M1273 HydrophobicContact CB-CE 4.38Å; R1237-M1273 HydrophobicContact CB-CG 4.1Å; R1237-M1273 HydrophobicContact CB-SD 3.75Å; R1237-M1273 WeakPolarHBondContact CD-SD 3.39Å; R1237-M1273 HydrophobicContact CG-CE 3.78Å; R1237-M1273 HydrophobicContact CG-CG 4.46Å; R1237-M1273 HydrophobicContact CG-SD 3.51Å; R1237-M1273 VanDerWaalsContact CG-SD 3.51Å; M1273-N1316 PolarHBondContact O-ND2 2.85Å |
| 1274 | G | 65.3 | Low | 72.1 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | trans | -177.9 | 167.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F1315 N1316 | G1274-F1315 VanDerWaalsContact CA-CZ 3.47Å; G1274-N1316 VanDerWaalsContact CA-ND2 3.32Å; G1274-N1316 WeakPolarHBondContact CA-ND2 3.24Å; G1274-N1316 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 1275 | N | 68.9 | Low | 72.8 | Confident | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | trans | -84.7 | 126.7 | 168.6 | -89.8 | 24.6 | 0 | 0 | 0 | 109.3 | F1315 N1316 | N1275-F1315 WeakPolarHBondContact O-CA 3.06Å; N1275-F1315 WeakPolarHBondContact O-CD2 3.29Å; N1275-N1316 PolarHBondContact N-OD1 2.85Å; N1275-N1316 PolarHBondContact O-N 2.85Å | ||
| 1276 | L | 75.8 | Confident | 72.4 | Confident | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.3 | 163.2 | -167.9 | 74.8 | 0 | 0 | 0 | 108.9 | I1244 I1266 V1278 Y1297 I1299 I1313 F1315 | I1244-L1276 HydrophobicContact CD1-CD1 4.49Å; I1266-L1276 HydrophobicContact CD1-CD2 3.91Å; I1266-L1276 HydrophobicContact CG2-CD1 4.43Å; I1266-L1276 HydrophobicContact CG2-CD2 4.29Å; L1276-V1278 HydrophobicContact CD2-CG2 4.29Å; L1276-V1278 HydrophobicContact CG-CG2 4.26Å; L1276-Y1297 HydrophobicContact CB-CE1 4.42Å; L1276-Y1297 HydrophobicContact CD2-CD1 4.02Å; L1276-Y1297 HydrophobicContact CD2-CD2 3.84Å; L1276-Y1297 HydrophobicContact CD2-CE2 4.49Å; L1276-Y1297 HydrophobicContact CD2-CG 3.58Å; L1276-I1299 HydrophobicContact CD2-CD1 4.4Å; L1276-I1313 HydrophobicContact CD1-CG2 3.78Å; L1276-I1313 HydrophobicContact CG-CG2 4.44Å; L1276-F1315 HydrophobicContact CB-CD2 4.33Å; L1276-F1315 HydrophobicContact CD1-CD2 4.15Å |
| 1277 | E | 76.3 | Confident | 71.9 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.7 | -177.9 | -68 | 161 | -165.6 | 0 | 0 | 109 | I1313 R1314 G1317 | E1277-I1313 WeakPolarHBondContact O-CA 3.15Å; E1277-R1314 HydrophobicContact CB-CB 4.1Å; E1277-R1314 PolarHBondContact N-O 2.62Å; E1277-R1314 PolarHBondContact O-N 2.83Å; E1277-G1317 PolarHBondContact OE1-N 2.7Å |
| 1278 | V | 78.7 | Confident | 71.1 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.3 | -168.4 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | L1276 A1289 I1299 S1312 | L1276-V1278 HydrophobicContact CD2-CG2 4.29Å; L1276-V1278 HydrophobicContact CG-CG2 4.26Å; V1278-A1289 HydrophobicContact CG2-CB 4.09Å; V1278-I1299 HydrophobicContact CB-CD1 4.4Å; V1278-I1299 HydrophobicContact CG1-CD1 4.04Å; V1278-I1299 HydrophobicContact CG1-CG2 3.96Å; V1278-I1299 HydrophobicContact CG2-CD1 3.56Å; V1278-S1312 WeakPolarHBondContact CA-O 3.41Å |
| 1279 | A | 75.3 | Confident | 70.3 | Confident | 30 Ų | 30 | 62 Ų | 62 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 120.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1312 | A1279-S1312 PolarHBondContact N-O 2.83Å; A1279-S1312 PolarHBondContact O-N 3.23Å |
| 1280 | V | 80.4 | Confident | 69.7 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.7 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | D1282 G1283 K1284 V1285 F1301 H1309 T1310 V1311 | V1280-D1282 VanDerWaalsContact C-N 3.28Å; V1280-D1282 PolarHBondContact O-N 2.95Å; V1280-G1283 PolarHBondContact O-N 2.68Å; V1280-G1283 VanDerWaalsContact O-N 3.07Å; V1280-K1284 PolarHBondContact O-N 3.37Å; V1280-V1285 HydrophobicContact CB-CB 3.95Å; V1280-V1285 HydrophobicContact CB-CG1 4.26Å; V1280-V1285 HydrophobicContact CG1-CB 3.8Å; V1280-V1285 HydrophobicContact CG1-CG1 4.01Å; V1280-V1285 HydrophobicContact CG1-CG2 4.37Å; V1280-V1285 PolarHBondContact O-N 3.43Å; V1280-F1301 HydrophobicContact CG1-CD2 4.05Å; V1280-F1301 HydrophobicContact CG1-CE2 4.04Å; V1280-F1301 HydrophobicContact CG1-CG 4.32Å; V1280-F1301 HydrophobicContact CG1-CZ 4.3Å; V1280-F1301 HydrophobicContact CG2-CB 4.32Å; V1280-F1301 HydrophobicContact CG2-CD1 3.69Å; V1280-F1301 HydrophobicContact CG2-CD2 4.48Å; V1280-F1301 HydrophobicContact CG2-CE1 4.01Å; V1280-F1301 HydrophobicContact CG2-CG 3.94Å; V1280-H1309 HydrophobicContact CG1-CB 4.44Å; V1280-T1310 WeakPolarHBondContact CA-O 3.32Å; V1280-V1311 HydrophobicContact CG2-CG1 4.3Å; V1280-V1311 HydrophobicContact CG2-CG2 4.24Å |
| 1281 | N | 80.8 | Confident | 68.7 | Low | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | 47.9 | 49.4 | -173.4 | -62.9 | -26.3 | 0 | 0 | 0 | 112.5 | G1283 K1284 V1285 H1309 T1310 | N1281-G1283 VanDerWaalsContact C-N 3.27Å; N1281-G1283 PolarHBondContact O-N 3.15Å; N1281-K1284 HydrophobicContact CB-CB 4.41Å; N1281-K1284 WeakPolarHBondContact O-CB 3.01Å; N1281-K1284 WeakPolarHBondContact O-CG 3.42Å; N1281-K1284 PolarHBondContact O-N 2.73Å; N1281-V1285 HydrophobicContact CB-CG2 4.4Å; N1281-H1309 PolarHBondContact ND2-CD2 3.17Å; N1281-T1310 PolarHBondContact N-O 3.04Å; N1281-T1310 PolarHBondContact OD1-N 2.85Å; N1281-T1310 PolarHBondContact OD1-OG1 3.38Å |
| 1282 | D | 76.8 | Confident | 67.6 | Low | 135 Ų | 135 | 62.2 Ų | 62.2 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | 54 | 38.3 | -177.2 | -56.6 | -44.1 | 0 | 0 | 0 | 114.1 | V1280 | V1280-D1282 VanDerWaalsContact C-N 3.28Å; V1280-D1282 PolarHBondContact O-N 2.95Å |
| 1283 | G | 60.4 | Low | 66.6 | Low | 53 Ų | 53 | 62.7 Ų | 62.7 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 87.3 | 1.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1280 N1281 V1285 | V1280-G1283 PolarHBondContact O-N 2.68Å; V1280-G1283 VanDerWaalsContact O-N 3.07Å; N1281-G1283 VanDerWaalsContact C-N 3.27Å; N1281-G1283 PolarHBondContact O-N 3.15Å; G1283-V1285 VanDerWaalsContact C-N 3.27Å; G1283-V1285 PolarHBondContact O-N 3.44Å |
| 1284 | K | 62.4 | Low | 66.3 | Low | 188 Ų | 188 | 66.4 Ų | 66.4 | 82% | 0.817 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.6 | 174.8 | -67.2 | 176.8 | 179.5 | 174.7 | 0 | 113.5 | V1280 N1281 | V1280-K1284 PolarHBondContact O-N 3.37Å; N1281-K1284 HydrophobicContact CB-CB 4.41Å; N1281-K1284 WeakPolarHBondContact O-CB 3.01Å; N1281-K1284 WeakPolarHBondContact O-CG 3.42Å; N1281-K1284 PolarHBondContact O-N 2.73Å |
| 1285 | V | 62.1 | Low | 66.3 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.085 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 121.9 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | V1280 N1281 G1283 S1287 F1301 | V1280-V1285 HydrophobicContact CB-CB 3.95Å; V1280-V1285 HydrophobicContact CB-CG1 4.26Å; V1280-V1285 HydrophobicContact CG1-CB 3.8Å; V1280-V1285 HydrophobicContact CG1-CG1 4.01Å; V1280-V1285 HydrophobicContact CG1-CG2 4.37Å; V1280-V1285 PolarHBondContact O-N 3.43Å; N1281-V1285 HydrophobicContact CB-CG2 4.4Å; G1283-V1285 VanDerWaalsContact C-N 3.27Å; G1283-V1285 PolarHBondContact O-N 3.44Å; V1285-S1287 PolarHBondContact O-N 2.77Å; V1285-F1301 HydrophobicContact CG1-CB 4.15Å; V1285-F1301 HydrophobicContact CG1-CD2 4.11Å |
| 1286 | L | 54.2 | Low | 66.1 | Low | 165 Ų | 165 | 69.9 Ų | 69.9 | 86% | 0.864 | 37% | 0.374 | S | S | * | . | trans | -62 | 129.1 | 175.9 | -87 | 160.3 | 0 | 0 | 0 | 110 | F1301 | L1286-F1301 WeakPolarHBondContact O-CB 3.44Š| ||
| 1287 | S | 66.7 | Low | 65.7 | Low | 34 Ų | 34 | 70.1 Ų | 70.1 | 24% | 0.238 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | V1285 S1300 | V1285-S1287 PolarHBondContact O-N 2.77Å; S1287-S1300 CarbonylContact C-O 3.55Å; S1287-S1300 VanDerWaalsContact CA-O 3.29Å; S1287-S1300 WeakPolarHBondContact CA-O 3.3Å |
| 1288 | M | 59.8 | Low | 65.4 | Low | 107 Ų | 107 | 66.6 Ų | 66.6 | 53% | 0.527 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.3 | 178.5 | -171.4 | 170.3 | 67.1 | 0 | 0 | 109.9 | S1300 | M1288-S1300 PolarHBondContact N-O 2.83Å; M1288-S1300 PolarHBondContact O-N 2.65Å |
| 1289 | A | 61.3 | Low | 65.2 | Low | 44 Ų | 44 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 100.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1278 D1298 I1299 | V1278-A1289 HydrophobicContact CG2-CB 4.09Å; A1289-D1298 CarbonylContact C-O 3.53Å; A1289-D1298 WeakPolarHBondContact CA-O 3.15Å; A1289-I1299 HydrophobicContact CB-CD1 4.09Å |
| 1290 | Q | 60.9 | Low | 65 | Low | 54 Ų | 54 | 64.2 Ų | 64.2 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121 | -177.6 | -156.6 | -169.8 | 61.3 | 0 | 0 | 109.5 | L1292 Y1297 D1298 | Q1290-L1292 PolarHBondContact O-N 2.75Å; Q1290-Y1297 WeakPolarHBondContact O-CA 3.42Å; Q1290-D1298 HydrophobicContact CB-CB 4.35Å; Q1290-D1298 PolarHBondContact N-O 2.88Å; Q1290-D1298 PolarHBondContact O-N 3.46Å |
| 1291 | N | 58.5 | Low | 64.7 | Low | 93 Ų | 93 | 64.6 Ų | 64.6 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.3 | 176.8 | -173.3 | -11.9 | 0 | 0 | 0 | 109.8 | G1293 R1296 Y1297 | N1291-G1293 PolarHBondContact OD1-N 2.83Å; N1291-R1296 PolarHBondContact OD1-O 3.15Å; N1291-Y1297 HydrophobicContact CB-CD1 4.27Å; N1291-Y1297 HydrophobicContact CB-CE1 4.18Å |
| 1292 | L | 55.1 | Low | 64.1 | Low | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -0 | -179.9 | -64 | 177.1 | 0 | 0 | 0 | 113.1 | Q1290 R1296 D1298 T1451 | Q1290-L1292 PolarHBondContact O-N 2.75Å; L1292-R1296 HydrophobicContact CB-CB 4.2Å; L1292-R1296 PolarHBondContact N-O 3.03Å; L1292-D1298 HydrophobicContact CD1-CB 4.05Å; L1292-D1298 HydrophobicContact CD2-CB 4.02Å; L1292-D1298 HydrophobicContact CG-CB 4.04Å; L1292-T1451 VanDerWaalsContact O-CG2 3.3Å; L1292-T1451 WeakPolarHBondContact O-CG2 3.35Å |
| 1293 | G | 49.5 | Very low | 63.6 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | 165.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1291 H1295 R1296 | N1291-G1293 PolarHBondContact OD1-N 2.83Å; G1293-H1295 PolarHBondContact O-N 2.73Å; G1293-H1295 VanDerWaalsContact O-N 3.07Å; G1293-R1296 PolarHBondContact O-N 2.65Å |
| 1294 | H | 62.8 | Low | 63.7 | Low | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.667 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.1 | -178.9 | -64.8 | -162.2 | 0 | 0 | 0 | 113.8 | R1296 | H1294-R1296 PolarHBondContact O-N 3.46Š|
| 1295 | H | 65 | Low | 63.6 | Low | 72 Ų | 72 | 52.6 Ų | 52.6 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.6 | -174.4 | -52.1 | -92.5 | 0 | 0 | 0 | 114.6 | A1268 G1293 Y1297 | A1268-H1295 HydrophobicContact CB-CB 4.4Å; A1268-H1295 WeakPolarHBondContact CB-O 3.32Å; A1268-H1295 PolarHBondContact N-O 3.47Å; G1293-H1295 PolarHBondContact O-N 2.73Å; G1293-H1295 VanDerWaalsContact O-N 3.07Å; H1295-Y1297 WeakPolarHBondContact O-CD2 3.28Å; H1295-Y1297 WeakPolarHBondContact O-CE2 3.37Å |
| 1296 | R | 64.7 | Low | 63.9 | Low | 117 Ų | 117 | 56.2 Ų | 56.2 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.4 | 166.6 | -64.1 | -169 | 176 | -162.7 | -0.3 | 110.7 | I1266 N1267 N1291 L1292 G1293 H1294 | I1266-R1296 CarbonylContact O-C 3.55Å; I1266-R1296 WeakPolarHBondContact O-CA 2.98Å; N1267-R1296 HydrophobicContact CB-CG 4.35Å; N1267-R1296 WeakPolarHBondContact OD1-CG 3.44Å; N1267-R1296 PolarHBondContact OD1-NE 2.92Å; N1291-R1296 PolarHBondContact OD1-O 3.15Å; L1292-R1296 HydrophobicContact CB-CB 4.2Å; L1292-R1296 PolarHBondContact N-O 3.03Å; G1293-R1296 PolarHBondContact O-N 2.65Å; H1294-R1296 PolarHBondContact O-N 3.46Å |
| 1297 | Y | 69.2 | Low | 64.6 | Low | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.6 | -176.9 | -59 | -98 | 0 | 0 | 0 | 110.4 | I1266 A1268 L1276 Q1290 N1291 H1295 | I1266-Y1297 PolarHBondContact N-O 3.4Å; I1266-Y1297 PolarHBondContact O-N 3.08Å; A1268-Y1297 HydrophobicContact CB-CE2 4.15Å; L1276-Y1297 HydrophobicContact CB-CE1 4.42Å; L1276-Y1297 HydrophobicContact CD2-CD1 4.02Å; L1276-Y1297 HydrophobicContact CD2-CD2 3.84Å; L1276-Y1297 HydrophobicContact CD2-CE2 4.49Å; L1276-Y1297 HydrophobicContact CD2-CG 3.58Å; Q1290-Y1297 WeakPolarHBondContact O-CA 3.42Å; N1291-Y1297 HydrophobicContact CB-CD1 4.27Å; N1291-Y1297 HydrophobicContact CB-CE1 4.18Å; H1295-Y1297 WeakPolarHBondContact O-CD2 3.28Å; H1295-Y1297 WeakPolarHBondContact O-CE2 3.37Å |
| 1298 | D | 69.4 | Low | 64.5 | Low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144.2 | 161.3 | -177.3 | 26 | 0 | 0 | 0 | 109 | H1259 F1260 I1261 A1289 Q1290 L1292 | H1259-D1298 IonicContact CE1-OD2 3.47Å; H1259-D1298 IonicContact CG-OD2 2.78Å; H1259-D1298 IonicContact ND1-OD2 2.69Å; H1259-D1298 PolarHBondContact ND1-OD2 3Å; F1260-D1298 WeakPolarHBondContact CA-OD1 3.38Å; F1260-D1298 PolarHBondContact N-OD1 3.48Å; I1261-D1298 HydrophobicContact CG1-CB 4.45Å; A1289-D1298 CarbonylContact C-O 3.53Å; A1289-D1298 WeakPolarHBondContact CA-O 3.15Å; Q1290-D1298 HydrophobicContact CB-CB 4.35Å; Q1290-D1298 PolarHBondContact N-O 2.88Å; Q1290-D1298 PolarHBondContact O-N 3.46Å; L1292-D1298 HydrophobicContact CD1-CB 4.05Å; L1292-D1298 HydrophobicContact CD2-CB 4.02Å; L1292-D1298 HydrophobicContact CG-CB 4.04Å |
| 1299 | I | 74.7 | Confident | 65.1 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.7 | 173 | -56.6 | -54.9 | 0 | 0 | 0 | 106.8 | F1260 I1266 L1276 V1278 A1289 F1301 | F1260-I1299 HydrophobicContact CB-CB 4.08Å; F1260-I1299 HydrophobicContact CD1-CB 4.12Å; F1260-I1299 VanDerWaalsContact CD1-O 3.31Å; F1260-I1299 WeakPolarHBondContact CD1-O 3.2Å; F1260-I1299 HydrophobicContact CD2-CB 3.65Å; F1260-I1299 HydrophobicContact CD2-CG1 3.84Å; F1260-I1299 HydrophobicContact CD2-CG2 4.35Å; F1260-I1299 HydrophobicContact CE1-CB 4.43Å; F1260-I1299 HydrophobicContact CE1-CG2 4.4Å; F1260-I1299 HydrophobicContact CE2-CB 3.98Å; F1260-I1299 HydrophobicContact CE2-CG1 4.21Å; F1260-I1299 HydrophobicContact CE2-CG2 4.17Å; F1260-I1299 HydrophobicContact CG-CB 3.71Å; F1260-I1299 HydrophobicContact CG-CG1 4.31Å; F1260-I1299 HydrophobicContact CZ-CB 4.35Å; F1260-I1299 HydrophobicContact CZ-CG2 4.2Å; F1260-I1299 PolarHBondContact N-O 3.2Å; I1266-I1299 HydrophobicContact CD1-CD1 3.63Å; I1266-I1299 HydrophobicContact CD1-CG1 3.48Å; I1266-I1299 VanDerWaalsContact CD1-CG1 3.48Å; I1266-I1299 HydrophobicContact CG1-CG1 4.34Å; L1276-I1299 HydrophobicContact CD2-CD1 4.4Å; V1278-I1299 HydrophobicContact CB-CD1 4.4Å; V1278-I1299 HydrophobicContact CG1-CD1 4.04Å; V1278-I1299 HydrophobicContact CG1-CG2 3.96Å; V1278-I1299 HydrophobicContact CG2-CD1 3.56Å; A1289-I1299 HydrophobicContact CB-CD1 4.09Å; I1299-F1301 HydrophobicContact CG2-CD1 4.35Å |
| 1300 | S | 69.6 | Low | 66.1 | Low | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.2 | 174 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | V1258 S1287 M1288 | V1258-S1300 WeakPolarHBondContact O-CA 3.49Å; V1258-S1300 WeakPolarHBondContact O-CB 3.34Å; S1287-S1300 CarbonylContact C-O 3.55Å; S1287-S1300 VanDerWaalsContact CA-O 3.29Å; S1287-S1300 WeakPolarHBondContact CA-O 3.3Å; M1288-S1300 PolarHBondContact N-O 2.83Å; M1288-S1300 PolarHBondContact O-N 2.65Å |
| 1301 | F | 74.3 | Confident | 67.1 | Low | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 154.3 | 172.9 | 62.4 | -89.7 | 0 | 0 | 0 | 111 | V1258 F1260 V1280 V1285 L1286 I1299 P1303 H1309 V1311 | V1258-F1301 PolarHBondContact N-O 3.49Å; V1258-F1301 PolarHBondContact O-N 2.84Å; F1260-F1301 HydrophobicContact CE1-CD1 4.47Å; F1260-F1301 AromaticContact CE1-CE1 3.69Å; F1260-F1301 HydrophobicContact CE1-CE1 3.69Å; F1260-F1301 AromaticContact CZ-CE1 3.92Å; F1260-F1301 HydrophobicContact CZ-CE1 3.92Å; V1280-F1301 HydrophobicContact CG1-CD2 4.05Å; V1280-F1301 HydrophobicContact CG1-CE2 4.04Å; V1280-F1301 HydrophobicContact CG1-CG 4.32Å; V1280-F1301 HydrophobicContact CG1-CZ 4.3Å; V1280-F1301 HydrophobicContact CG2-CB 4.32Å; V1280-F1301 HydrophobicContact CG2-CD1 3.69Å; V1280-F1301 HydrophobicContact CG2-CD2 4.48Å; V1280-F1301 HydrophobicContact CG2-CE1 4.01Å; V1280-F1301 HydrophobicContact CG2-CG 3.94Å; V1285-F1301 HydrophobicContact CG1-CB 4.15Å; V1285-F1301 HydrophobicContact CG1-CD2 4.11Å; L1286-F1301 WeakPolarHBondContact O-CB 3.44Å; I1299-F1301 HydrophobicContact CG2-CD1 4.35Å; F1301-P1303 HydrophobicContact CD2-CB 4.27Å; F1301-P1303 HydrophobicContact CD2-CG 4.34Å; F1301-P1303 HydrophobicContact CE2-CB 4.11Å; F1301-P1303 HydrophobicContact CE2-CG 4.18Å; F1301-H1309 HydrophobicContact CE2-CB 4.46Å; F1301-H1309 AromaticContact CE2-CD2 3.9Å; F1301-V1311 HydrophobicContact CE1-CG2 4.09Å; F1301-V1311 HydrophobicContact CZ-CG2 4.22Å |
| 1302 | V | 69.1 | Low | 68.2 | Low | 56 Ų | 56 | 42.5 Ų | 42.5 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | trans | -103.2 | 111.7 | 173.6 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | P1257 T1304 | P1257-V1302 HydrophobicContact CB-CG2 4.13Å; V1302-T1304 HydrophobicContact CG1-CG2 4.31Å; V1302-T1304 PolarHBondContact O-N 2.9Å | ||
| 1303 | P | 65.7 | Low | 69.7 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -85.3 | 98.1 | 178.5 | 25.6 | -15 | 0 | 0 | 0 | 109.5 | I1252 P1254 S1255 K1256 V1258 F1301 E1305 H1309 | I1252-P1303 HydrophobicContact CG2-CB 3.8Å; I1252-P1303 HydrophobicContact CG2-CG 3.22Å; P1254-P1303 WeakPolarHBondContact CA-O 3.44Å; S1255-P1303 PolarHBondContact N-O 2.86Å; K1256-P1303 WeakPolarHBondContact O-CD 3.39Å; V1258-P1303 HydrophobicContact CG2-CG 4.11Å; F1301-P1303 HydrophobicContact CD2-CB 4.27Å; F1301-P1303 HydrophobicContact CD2-CG 4.34Å; F1301-P1303 HydrophobicContact CE2-CB 4.11Å; F1301-P1303 HydrophobicContact CE2-CG 4.18Å; P1303-E1305 PolarHBondContact O-N 2.79Å; P1303-H1309 WeakPolarHBondContact CB-NE2 3.36Å | ||
| 1304 | T | 62.3 | Low | 71.2 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | trans | -79.7 | -0.5 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | P282 R302 V1302 | P282-T1304 HydrophobicContact CG-CG2 4.2Å; R302-T1304 WeakPolarHBondContact CD-O 3.45Å; R302-T1304 PolarHBondContact NE-O 2.81Å; V1302-T1304 HydrophobicContact CG1-CG2 4.31Å; V1302-T1304 PolarHBondContact O-N 2.9Å | ||
| 1305 | E | 60.8 | Low | 72.1 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -119.8 | 131.6 | -170.8 | -56.2 | -97.4 | 142 | 0 | 0 | 110.1 | R302 P1303 I1307 H1309 | R302-E1305 IonicContact CZ-OE1 3.96Å; R302-E1305 IonicContact CZ-OE2 2.68Å; R302-E1305 IonicContact NE-OE1 3.62Å; R302-E1305 IonicContact NH1-OE1 2.76Å; R302-E1305 PolarHBondContact NH1-OE1 2.85Å; R302-E1305 IonicContact NH1-OE2 3.38Å; R302-E1305 PolarHBondContact NH1-OE2 2.81Å; P1303-E1305 PolarHBondContact O-N 2.79Å; E1305-I1307 HydrophobicContact CB-CD1 3.92Å; E1305-I1307 HydrophobicContact CB-CG1 3.75Å; E1305-I1307 HydrophobicContact CG-CD1 4.34Å; E1305-I1307 PolarHBondContact O-N 3.16Å; E1305-H1309 PolarHBondContact O-CE1 3.31Å; E1305-H1309 VanDerWaalsContact O-CE1 3.32Å |
| 1306 | S | 68 | Low | 72.7 | Confident | 90 Ų | 90 | 35.8 Ų | 35.8 | 63% | 0.629 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -78.8 | 42 | 176.8 | -48.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1307 | I | 69.3 | Low | 73 | Confident | 81 Ų | 81 | 31.8 Ų | 31.8 | 42% | 0.415 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -116 | 159.1 | -176.3 | 68.3 | -176.7 | 0 | 0 | 0 | 111.2 | E1305 H1309 | E1305-I1307 HydrophobicContact CB-CD1 3.92Å; E1305-I1307 HydrophobicContact CB-CG1 3.75Å; E1305-I1307 HydrophobicContact CG-CD1 4.34Å; E1305-I1307 PolarHBondContact O-N 3.16Å; I1307-H1309 PolarHBondContact O-N 2.91Å; I1307-H1309 PolarHBondContact O-ND1 2.81Å |
| 1308 | A | 63.9 | Low | 73.4 | Confident | 70 Ų | 70 | 32.8 Ų | 32.8 | 58% | 0.579 | 20% | 0.197 | S | C | * | . | trans | -63.9 | 118.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1309 | H | 72.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 146.4 | 179 | -73.5 | 52.1 | 0 | 0 | 0 | 111.2 | I1252 V1280 N1281 F1301 P1303 E1305 I1307 K1326 S1327 | I1252-H1309 HydrophobicContact CD1-CB 3.73Å; V1280-H1309 HydrophobicContact CG1-CB 4.44Å; N1281-H1309 PolarHBondContact ND2-CD2 3.17Å; F1301-H1309 HydrophobicContact CE2-CB 4.46Å; F1301-H1309 AromaticContact CE2-CD2 3.9Å; P1303-H1309 WeakPolarHBondContact CB-NE2 3.36Å; E1305-H1309 PolarHBondContact O-CE1 3.31Å; E1305-H1309 VanDerWaalsContact O-CE1 3.32Å; I1307-H1309 PolarHBondContact O-N 2.91Å; I1307-H1309 PolarHBondContact O-ND1 2.81Å; H1309-K1326 WeakPolarHBondContact O-CA 3.11Å; H1309-S1327 PolarHBondContact O-N 3.35Å |
| 1310 | T | 82.8 | Confident | 74.3 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.4 | 178.4 | -16 | 0 | 0 | 0 | 0 | 108.7 | V1280 N1281 P1324 F1325 K1326 | V1280-T1310 WeakPolarHBondContact CA-O 3.32Å; N1281-T1310 PolarHBondContact N-O 3.04Å; N1281-T1310 PolarHBondContact OD1-N 2.85Å; N1281-T1310 PolarHBondContact OD1-OG1 3.38Å; T1310-P1324 HydrophobicContact CG2-CB 4.04Å; T1310-P1324 HydrophobicContact CG2-CG 4.4Å; T1310-F1325 CarbonylContact C-O 3.46Å; T1310-F1325 VanDerWaalsContact CA-O 3.3Å; T1310-F1325 WeakPolarHBondContact CA-O 3.29Å; T1310-K1326 HydrophobicContact CG2-CG 3.87Å |
| 1311 | V | 82.3 | Confident | 74.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.4 | -176.7 | -173.3 | 0 | 0 | 0 | 0 | 109 | I1249 F1260 V1280 F1301 I1313 P1324 F1325 | I1249-V1311 HydrophobicContact CD1-CB 4.18Å; I1249-V1311 HydrophobicContact CD1-CG2 4.31Å; F1260-V1311 HydrophobicContact CE2-CG1 4.43Å; F1260-V1311 HydrophobicContact CZ-CG1 4.37Å; F1260-V1311 HydrophobicContact CZ-CG2 4.28Å; V1280-V1311 HydrophobicContact CG2-CG1 4.3Å; V1280-V1311 HydrophobicContact CG2-CG2 4.24Å; F1301-V1311 HydrophobicContact CE1-CG2 4.09Å; F1301-V1311 HydrophobicContact CZ-CG2 4.22Å; V1311-I1313 HydrophobicContact CG1-CD1 4.48Å; V1311-I1313 HydrophobicContact CG1-CG1 4.26Å; V1311-P1324 CarbonylContact O-C 3.56Å; V1311-P1324 WeakPolarHBondContact O-CA 3.06Å; V1311-F1325 PolarHBondContact N-O 2.84Å; V1311-F1325 PolarHBondContact O-N 2.84Å |
| 1312 | S | 81.7 | Confident | 74.5 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.2 | 177 | -69.6 | 0 | 0 | 0 | 0 | 109.9 | V1278 A1279 | V1278-S1312 WeakPolarHBondContact CA-O 3.41Å; A1279-S1312 PolarHBondContact N-O 2.83Å; A1279-S1312 PolarHBondContact O-N 3.23Å |
| 1313 | I | 85.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.1 | 179 | -55.5 | 169.1 | 0 | 0 | 0 | 109.2 | V1246 I1266 L1276 E1277 V1311 V1320 S1323 F1325 | V1246-I1313 HydrophobicContact CG1-CD1 4.02Å; V1246-I1313 HydrophobicContact CG2-CD1 4.11Å; I1266-I1313 HydrophobicContact CD1-CD1 3.69Å; I1266-I1313 HydrophobicContact CD1-CG2 4.42Å; I1266-I1313 HydrophobicContact CG1-CD1 4.46Å; L1276-I1313 HydrophobicContact CD1-CG2 3.78Å; L1276-I1313 HydrophobicContact CG-CG2 4.44Å; E1277-I1313 WeakPolarHBondContact O-CA 3.15Å; V1311-I1313 HydrophobicContact CG1-CD1 4.48Å; V1311-I1313 HydrophobicContact CG1-CG1 4.26Å; I1313-V1320 HydrophobicContact CB-CB 4.31Å; I1313-V1320 HydrophobicContact CG2-CB 4.02Å; I1313-V1320 HydrophobicContact CG2-CG1 4.44Å; I1313-V1320 HydrophobicContact CG2-CG2 3.79Å; I1313-V1320 PolarHBondContact O-N 2.61Å; I1313-S1323 PolarHBondContact N-OG 3.05Å; I1313-S1323 WeakPolarHBondContact O-CB 3.5Å; I1313-S1323 PolarHBondContact O-OG 2.94Å; I1313-F1325 HydrophobicContact CD1-CD2 4.05Å; I1313-F1325 HydrophobicContact CD1-CE2 3.84Å; I1313-F1325 HydrophobicContact CG1-CE2 4.5Å |
| 1314 | R | 82.1 | Confident | 75.5 | Confident | 96 Ų | 96 | 44.7 Ų | 44.7 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 162.5 | 173.6 | -48.5 | 168.7 | -176.6 | -84.6 | -7.7 | 109.7 | E1277 D1318 H1319 | E1277-R1314 HydrophobicContact CB-CB 4.1Å; E1277-R1314 PolarHBondContact N-O 2.62Å; E1277-R1314 PolarHBondContact O-N 2.83Å; R1314-D1318 CarbonylContact C-O 3.57Å; R1314-D1318 VanDerWaalsContact CA-O 3.27Å; R1314-D1318 WeakPolarHBondContact CA-O 3.4Å; R1314-D1318 WeakPolarHBondContact CB-O 3.33Å; R1314-H1319 VanDerWaalsContact CZ-CE1 3.42Å; R1314-H1319 PolarHBondContact NH1-CD2 2.59Å; R1314-H1319 PolarHBondContact NH1-CE1 2.91Å; R1314-H1319 PolarHBondContact NH1-NE2 3.24Å; R1314-H1319 PolarHBondContact NH2-CE1 2.99Å; R1314-H1319 PolarHBondContact NH2-NE2 3.14Å |
| 1315 | F | 81.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 118.3 | 173.9 | -171.9 | -109.7 | 0 | 0 | 0 | 109.4 | Y1239 A1241 I1244 A1271 G1274 N1275 L1276 G1317 D1318 V1320 | Y1239-F1315 AromaticContact CD2-CD1 3.88Å; Y1239-F1315 HydrophobicContact CD2-CD1 3.88Å; Y1239-F1315 HydrophobicContact CD2-CE1 4.07Å; Y1239-F1315 HydrophobicContact CE2-CD1 4.43Å; Y1239-F1315 HydrophobicContact CG-CE1 4.46Å; A1241-F1315 HydrophobicContact CB-CB 4.19Å; A1241-F1315 HydrophobicContact CB-CD1 4.38Å; I1244-F1315 HydrophobicContact CD1-CB 3.4Å; I1244-F1315 HydrophobicContact CD1-CD1 3.66Å; I1244-F1315 HydrophobicContact CD1-CD2 3.55Å; I1244-F1315 HydrophobicContact CD1-CE1 4.2Å; I1244-F1315 HydrophobicContact CD1-CE2 4.12Å; I1244-F1315 HydrophobicContact CD1-CG 3.27Å; I1244-F1315 HydrophobicContact CD1-CZ 4.4Å; A1271-F1315 HydrophobicContact CB-CD1 4.47Å; A1271-F1315 HydrophobicContact CB-CE1 3.92Å; A1271-F1315 HydrophobicContact CB-CZ 4.23Å; G1274-F1315 VanDerWaalsContact CA-CZ 3.47Å; N1275-F1315 WeakPolarHBondContact O-CA 3.06Å; N1275-F1315 WeakPolarHBondContact O-CD2 3.29Å; L1276-F1315 HydrophobicContact CB-CD2 4.33Å; L1276-F1315 HydrophobicContact CD1-CD2 4.15Å; F1315-G1317 PolarHBondContact O-N 2.64Å; F1315-D1318 PolarHBondContact N-O 2.87Å; F1315-D1318 PolarHBondContact O-N 2.5Å; F1315-D1318 VanDerWaalsContact O-N 3.14Å; F1315-V1320 HydrophobicContact CB-CG2 4.14Å |
| 1316 | N | 77 | Confident | 76.9 | Confident | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.1 | -168.3 | -61.2 | -35 | 0 | 0 | 0 | 113.2 | Y1239 M1273 G1274 N1275 D1318 | Y1239-N1316 VanDerWaalsContact CD1-ND2 3.27Å; Y1239-N1316 WeakPolarHBondContact CD1-ND2 3.31Å; Y1239-N1316 HydrophobicContact CD2-CB 4.36Å; Y1239-N1316 WeakPolarHBondContact CD2-ND2 3.29Å; Y1239-N1316 HydrophobicContact CE1-CB 3.91Å; Y1239-N1316 HydrophobicContact CE2-CB 3.76Å; M1273-N1316 PolarHBondContact O-ND2 2.85Å; G1274-N1316 VanDerWaalsContact CA-ND2 3.32Å; G1274-N1316 WeakPolarHBondContact CA-ND2 3.24Å; G1274-N1316 WeakPolarHBondContact CA-OD1 3.4Å; N1275-N1316 PolarHBondContact N-OD1 2.85Å; N1275-N1316 PolarHBondContact O-N 2.85Å; N1316-D1318 VanDerWaalsContact C-N 3.3Å; N1316-D1318 PolarHBondContact O-N 3.12Å |
| 1317 | G | 72.4 | Confident | 76.8 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -26.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | E1277 F1315 | E1277-G1317 PolarHBondContact OE1-N 2.7Å; F1315-G1317 PolarHBondContact O-N 2.64Å |
| 1318 | D | 77.2 | Confident | 76.5 | Confident | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.6 | 172.6 | -85.8 | -30.2 | 0 | 0 | 0 | 109.8 | S1164 K1167 Y1239 A1241 R1314 F1315 N1316 | S1164-D1318 PolarHBondContact OG-OD2 2.78Å; K1167-D1318 IonicContact NZ-OD1 2.71Å; K1167-D1318 PolarHBondContact NZ-OD1 3.2Å; K1167-D1318 IonicContact NZ-OD2 2.8Å; K1167-D1318 PolarHBondContact NZ-OD2 3.06Å; Y1239-D1318 PolarHBondContact OH-OD2 3.48Å; A1241-D1318 HydrophobicContact CB-CB 3.99Å; R1314-D1318 CarbonylContact C-O 3.57Å; R1314-D1318 VanDerWaalsContact CA-O 3.27Å; R1314-D1318 WeakPolarHBondContact CA-O 3.4Å; R1314-D1318 WeakPolarHBondContact CB-O 3.33Å; F1315-D1318 PolarHBondContact N-O 2.87Å; F1315-D1318 PolarHBondContact O-N 2.5Å; F1315-D1318 VanDerWaalsContact O-N 3.14Å; N1316-D1318 VanDerWaalsContact C-N 3.3Å; N1316-D1318 PolarHBondContact O-N 3.12Å |
| 1319 | H | 78.5 | Confident | 76.2 | Confident | 101 Ų | 101 | 50 Ų | 50 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.3 | -178.2 | -89.3 | -72.5 | 0 | 0 | 0 | 112.7 | R1314 | R1314-H1319 VanDerWaalsContact CZ-CE1 3.42Å; R1314-H1319 PolarHBondContact NH1-CD2 2.59Å; R1314-H1319 PolarHBondContact NH1-CE1 2.91Å; R1314-H1319 PolarHBondContact NH1-NE2 3.24Å; R1314-H1319 PolarHBondContact NH2-CE1 2.99Å; R1314-H1319 PolarHBondContact NH2-NE2 3.14Å |
| 1320 | V | 84.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.4 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | I1244 V1246 I1313 F1315 G1322 S1323 | I1244-V1320 HydrophobicContact CB-CG1 3.93Å; I1244-V1320 HydrophobicContact CB-CG2 4.17Å; I1244-V1320 HydrophobicContact CD1-CG2 3.93Å; I1244-V1320 HydrophobicContact CG2-CG1 3.72Å; I1244-V1320 HydrophobicContact CG2-CG2 4.12Å; V1246-V1320 HydrophobicContact CG2-CG1 3.49Å; V1246-V1320 VanDerWaalsContact CG2-CG1 3.49Å; I1313-V1320 HydrophobicContact CB-CB 4.31Å; I1313-V1320 HydrophobicContact CG2-CB 4.02Å; I1313-V1320 HydrophobicContact CG2-CG1 4.44Å; I1313-V1320 HydrophobicContact CG2-CG2 3.79Å; I1313-V1320 PolarHBondContact O-N 2.61Å; F1315-V1320 HydrophobicContact CB-CG2 4.14Å; V1320-G1322 PolarHBondContact O-N 2.81Å; V1320-S1323 VanDerWaalsContact O-CB 3.23Å; V1320-S1323 WeakPolarHBondContact O-CB 3.47Å; V1320-S1323 PolarHBondContact O-N 2.79Å; V1320-S1323 VanDerWaalsContact O-N 3.1Å |
| 1321 | P | 76.2 | Confident | 73.2 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 133.4 | 179.7 | -29 | 35.9 | 0 | 0 | 0 | 113.3 | A1241 S1323 F1325 | A1241-P1321 WeakPolarHBondContact O-CD 3.41Å; P1321-S1323 VanDerWaalsContact C-N 3.33Å; P1321-S1323 PolarHBondContact O-N 2.76Å; P1321-F1325 VanDerWaalsContact O-CZ 3.31Å; P1321-F1325 WeakPolarHBondContact O-CZ 3.24Å |
| 1322 | G | 72.2 | Confident | 71.6 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -14.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1320 P1324 F1325 | V1320-G1322 PolarHBondContact O-N 2.81Å; G1322-P1324 CarbonylContact O-C 3.59Å; G1322-F1325 VanDerWaalsContact C-CZ 3.4Å |
| 1323 | S | 80.9 | Confident | 69.6 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 16% | 0.161 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 139.6 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | I1313 V1320 P1321 | I1313-S1323 PolarHBondContact N-OG 3.05Å; I1313-S1323 WeakPolarHBondContact O-CB 3.5Å; I1313-S1323 PolarHBondContact O-OG 2.94Å; V1320-S1323 VanDerWaalsContact O-CB 3.23Å; V1320-S1323 WeakPolarHBondContact O-CB 3.47Å; V1320-S1323 PolarHBondContact O-N 2.79Å; V1320-S1323 VanDerWaalsContact O-N 3.1Å; P1321-S1323 VanDerWaalsContact C-N 3.33Å; P1321-S1323 PolarHBondContact O-N 2.76Å |
| 1324 | P | 73.3 | Confident | 68 | Low | 74 Ų | 74 | 69.7 Ų | 69.7 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | S | Bend | cis | -87.8 | 133.8 | -1.3 | 35.4 | -34.7 | 0 | 0 | 0 | 112.7 | T1310 V1311 G1322 | T1310-P1324 HydrophobicContact CG2-CB 4.04Å; T1310-P1324 HydrophobicContact CG2-CG 4.4Å; V1311-P1324 CarbonylContact O-C 3.56Å; V1311-P1324 WeakPolarHBondContact O-CA 3.06Å; G1322-P1324 CarbonylContact O-C 3.59Å |
| 1325 | F | 80.5 | Confident | 66.8 | Low | 39 Ų | 39 | 74.1 Ų | 74.1 | 17% | 0.171 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 158.1 | -178.3 | -56.6 | -95.5 | 0 | 0 | 0 | 111.3 | V1246 I1249 T1310 V1311 I1313 P1321 G1322 | V1246-F1325 HydrophobicContact CB-CE1 4.12Å; V1246-F1325 HydrophobicContact CB-CE2 4.15Å; V1246-F1325 HydrophobicContact CB-CZ 3.55Å; V1246-F1325 HydrophobicContact CG1-CD2 4.46Å; V1246-F1325 HydrophobicContact CG1-CE1 3.98Å; V1246-F1325 HydrophobicContact CG1-CE2 3.87Å; V1246-F1325 HydrophobicContact CG1-CZ 3.6Å; V1246-F1325 HydrophobicContact CG2-CE2 4.12Å; V1246-F1325 HydrophobicContact CG2-CZ 3.86Å; I1249-F1325 HydrophobicContact CD1-CB 3.28Å; I1249-F1325 HydrophobicContact CD1-CD1 4.44Å; I1249-F1325 HydrophobicContact CD1-CD2 4.37Å; I1249-F1325 HydrophobicContact CD1-CG 3.83Å; I1249-F1325 HydrophobicContact CG1-CB 4.32Å; T1310-F1325 CarbonylContact C-O 3.46Å; T1310-F1325 VanDerWaalsContact CA-O 3.3Å; T1310-F1325 WeakPolarHBondContact CA-O 3.29Å; V1311-F1325 PolarHBondContact N-O 2.84Å; V1311-F1325 PolarHBondContact O-N 2.84Å; I1313-F1325 HydrophobicContact CD1-CD2 4.05Å; I1313-F1325 HydrophobicContact CD1-CE2 3.84Å; I1313-F1325 HydrophobicContact CG1-CE2 4.5Å; P1321-F1325 VanDerWaalsContact O-CZ 3.31Å; P1321-F1325 WeakPolarHBondContact O-CZ 3.24Å; G1322-F1325 VanDerWaalsContact C-CZ 3.4Å |
| 1326 | K | 72.1 | Confident | 65.8 | Low | 166 Ų | 166 | 74.3 Ų | 74.3 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.9 | 177.2 | -75.4 | -179.6 | 178.1 | 178.8 | 0 | 111.7 | H1309 T1310 | H1309-K1326 WeakPolarHBondContact O-CA 3.11Å; T1310-K1326 HydrophobicContact CG2-CG 3.87Å |
| 1327 | S | 67.4 | Low | 65.4 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 7% | 0.07 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 159.6 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 113 | P1250 D1251 I1252 H1309 | P1250-S1327 PolarHBondContact O-OG 3.42Å; D1251-S1327 WeakPolarHBondContact CA-OG 3.12Å; I1252-S1327 WeakPolarHBondContact CG1-OG 3.42Å; H1309-S1327 PolarHBondContact O-N 3.35Å |
| 1328 | R | 62.9 | Low | 65.4 | Low | 182 Ų | 182 | 75.3 Ų | 75.3 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | trans | -113 | 141.8 | -166.1 | -174.5 | -168.3 | -58.1 | -134.6 | -0.7 | 110.9 | D1251 I1252 | D1251-R1328 CarbonylContact C-O 3.5Å; D1251-R1328 WeakPolarHBondContact CA-O 3.48Å; D1251-R1328 WeakPolarHBondContact CB-O 3.35Å; D1251-R1328 WeakPolarHBondContact OD1-CB 3.42Å; I1252-R1328 PolarHBondContact N-O 3.23Å | ||
| 1329 | V | 57.2 | Low | 65.3 | Low | 50 Ų | 50 | 75.9 Ų | 75.9 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -93.5 | 137.9 | -173.5 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | I1252 P1254 | I1252-V1329 HydrophobicContact CB-CG2 4.32Å; I1252-V1329 HydrophobicContact CD1-CG2 4.29Å; I1252-V1329 CarbonylContact O-C 3.55Å; I1252-V1329 VanDerWaalsContact O-CA 3.29Å; I1252-V1329 WeakPolarHBondContact O-CA 3.32Å; P1254-V1329 HydrophobicContact CG-CG1 3.94Å |
| 1330 | L | 51.1 | Low | 64.7 | Low | 80 Ų | 80 | 72.3 Ų | 72.3 | 42% | 0.419 | 41% | 0.408 | S | S | . | . | trans | -117.8 | 159.2 | 179.7 | -63.4 | 175.8 | 0 | 0 | 0 | 113.3 | D1251 I1252 Q1253 | D1251-L1330 HydrophobicContact CB-CD1 3.72Å; D1251-L1330 HydrophobicContact CB-CG 4.08Å; I1252-L1330 PolarHBondContact O-N 2.85Å; Q1253-L1330 HydrophobicContact CG-CB 4.27Å; Q1253-L1330 WeakPolarHBondContact CG-O 3.1Å | ||
| 1331 | P | 40.2 | Very low | 63.2 | Low | 119 Ų | 119 | 77.2 Ų | 77.2 | 77% | 0.773 | 45% | 0.449 | S | S | * | . | trans | -87.8 | 166.5 | 172.4 | -1.6 | 22.3 | 0 | 0 | 0 | 113 | Q1253 | Q1253-P1331 PolarHBondContact NE2-O 2.86Š| ||
| 1332 | V | 50 | Low | 62.2 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | trans | -121.5 | 133.4 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | Q1253 | Q1253-V1332 VanDerWaalsContact CD-CG2 3.41Å; Q1253-V1332 HydrophobicContact CG-CG2 4.05Å | ||
| 1333 | A | 39.5 | Very low | 62.2 | Low | 98 Ų | 98 | 75.3 Ų | 75.3 | 81% | 0.81 | 43% | 0.427 | S | S | * | . | trans | -161.4 | 76.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1334 | T | 52.2 | Low | 61.5 | Low | 84 Ų | 84 | 79.6 Ų | 79.6 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | trans | -144.6 | 165 | 167.8 | 37.5 | 0 | 0 | 0 | 0 | 110.9 | P1412 | T1334-P1412 VanDerWaalsContact OG1-CG 3.28Å; T1334-P1412 WeakPolarHBondContact OG1-CG 3.36Å | ||
| 1335 | K | 56.6 | Low | 61.5 | Low | 188 Ų | 188 | 79.6 Ų | 79.6 | 82% | 0.817 | 44% | 0.437 | S | S | * | . | trans | -105.7 | -13.3 | -170.3 | -79.9 | -171.9 | 177.4 | -179.9 | 0 | 116.7 | ||||
| 1336 | A | 60.7 | Low | 61.7 | Low | 6 Ų | 6 | 78.4 Ų | 78.4 | 5% | 0.05 | 43% | 0.433 | C | S | . | . | trans | -102.3 | 152.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1357 V1358 L1411 | A1336-E1357 WeakPolarHBondContact CA-O 3.39Å; A1336-E1357 WeakPolarHBondContact CB-O 3.41Å; A1336-V1358 HydrophobicContact CB-CG1 3.87Å; A1336-L1411 HydrophobicContact CB-CD1 4.31Å; A1336-L1411 HydrophobicContact CB-CD2 3.54Å | ||
| 1337 | L | 67.2 | Low | 62.2 | Low | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.1 | -165.6 | -81.5 | 159.3 | 0 | 0 | 0 | 113.1 | E1357 | L1337-E1357 HydrophobicContact CB-CB 4.3Å; L1337-E1357 PolarHBondContact N-O 3.12Å; L1337-E1357 PolarHBondContact O-N 3.05Å |
| 1338 | I | 73.8 | Confident | 63.1 | Low | 31 Ų | 31 | 72.5 Ų | 72.5 | 16% | 0.159 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.5 | -179.9 | -55.4 | 173.6 | 0 | 0 | 0 | 109.3 | A1340 L1356 V1404 L1411 F1416 | I1338-A1340 HydrophobicContact CG2-CB 4Å; I1338-L1356 HydrophobicContact CB-CD2 4.1Å; I1338-L1356 HydrophobicContact CG1-CD2 3.75Å; I1338-L1356 HydrophobicContact CG2-CD2 3.98Å; I1338-V1404 HydrophobicContact CD1-CB 4.43Å; I1338-L1411 HydrophobicContact CD1-CB 3.84Å; I1338-L1411 HydrophobicContact CG1-CB 4.11Å; I1338-L1411 HydrophobicContact CG1-CD1 4.25Å; I1338-F1416 HydrophobicContact CD1-CD1 4.35Å; I1338-F1416 HydrophobicContact CD1-CE1 4.15Å; I1338-F1416 HydrophobicContact CG2-CD1 4.47Å; I1338-F1416 HydrophobicContact CG2-CE1 3.79Å; I1338-F1416 HydrophobicContact CG2-CZ 4.12Å |
| 1339 | H | 73.9 | Confident | 63.9 | Low | 62 Ų | 62 | 66.6 Ų | 66.6 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 87.7 | 176.2 | -73.5 | -100.7 | 0 | 0 | 0 | 110.1 | E1355 | H1339-E1355 HydrophobicContact CB-CB 4.07Å; H1339-E1355 PolarHBondContact N-O 2.88Å; H1339-E1355 PolarHBondContact O-N 3.17Å |
| 1340 | A | 66.5 | Low | 65 | Low | 26 Ų | 26 | 70 Ų | 70 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | trans | -119.9 | 23.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1338 S1342 L1343 F1354 F1416 | I1338-A1340 HydrophobicContact CG2-CB 4Å; A1340-S1342 PolarHBondContact O-N 2.85Å; A1340-L1343 PolarHBondContact O-N 2.88Å; A1340-L1343 VanDerWaalsContact O-N 3.15Å; A1340-F1354 HydrophobicContact CB-CB 4Å; A1340-F1416 HydrophobicContact CB-CD2 4.25Å; A1340-F1416 HydrophobicContact CB-CE2 3.64Å; A1340-F1416 HydrophobicContact CB-CZ 3.88Å | ||
| 1341 | A | 52.4 | Low | 66.3 | Low | 105 Ų | 105 | 71 Ų | 71 | 87% | 0.868 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -63 | -23.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1343 | A1341-L1343 PolarHBondContact O-N 2.89Š|
| 1342 | S | 56.6 | Low | 68.3 | Low | 82 Ų | 82 | 65.6 Ų | 65.6 | 57% | 0.573 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -69.5 | -6.1 | 174.7 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | A1340 S1353 | A1340-S1342 PolarHBondContact O-N 2.85Å; S1342-S1353 PolarHBondContact OG-O 3.12Å |
| 1343 | L | 70.7 | Confident | 70.1 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -118.9 | 18.4 | -160.7 | -110.1 | 149.9 | 0 | 0 | 0 | 115.3 | A1340 A1341 K1345 V1346 A1352 S1353 F1354 F1392 C1418 | A1340-L1343 PolarHBondContact O-N 2.88Å; A1340-L1343 VanDerWaalsContact O-N 3.15Å; A1341-L1343 PolarHBondContact O-N 2.89Å; L1343-K1345 PolarHBondContact O-N 3.11Å; L1343-V1346 HydrophobicContact CD2-CG1 3.65Å; L1343-V1346 HydrophobicContact CG-CG1 4.18Å; L1343-A1352 HydrophobicContact CD2-CB 4.14Å; L1343-S1353 VanDerWaalsContact CD1-C 3.48Å; L1343-S1353 WeakPolarHBondContact CD1-O 3.42Å; L1343-F1354 HydrophobicContact CD1-CB 3.67Å; L1343-F1354 HydrophobicContact CD1-CD1 3.48Å; L1343-F1354 VanDerWaalsContact CD1-CD1 3.48Å; L1343-F1354 HydrophobicContact CD1-CE1 4.48Å; L1343-F1354 HydrophobicContact CD1-CG 4Å; L1343-F1392 HydrophobicContact CD1-CE1 4.24Å; L1343-F1392 HydrophobicContact CD2-CE1 3.93Å; L1343-F1392 HydrophobicContact CD2-CZ 3.73Å; L1343-C1418 HydrophobicContact CB-CB 4.39Å; L1343-C1418 HydrophobicContact CD2-CB 3.31Å; L1343-C1418 HydrophobicContact CG-CB 4.46Å; L1343-C1418 WeakPolarHBondContact O-CA 3.43Å; L1343-C1418 WeakPolarHBondContact O-CB 3.22Å |
| 1344 | E | 66.7 | Low | 72.2 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -59.4 | -45.2 | 173.7 | -97.5 | -140.4 | 112 | 0 | 0 | 112.7 | K1419 | E1344-K1419 WeakPolarHBondContact O-CB 3.46Å; E1344-K1419 PolarHBondContact O-N 2.79Å; E1344-K1419 IonicContact OE1-NZ 3.92Å |
| 1345 | K | 74.2 | Confident | 73.7 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135 | -178.5 | -61.2 | 176.6 | -179.2 | 178.1 | 0 | 109 | L1343 K1419 Y1421 N1453 N1496 | L1343-K1345 PolarHBondContact O-N 3.11Å; K1345-K1419 WeakPolarHBondContact CA-O 2.84Å; K1345-Y1421 HydrophobicContact CB-CD1 4.11Å; K1345-Y1421 HydrophobicContact CB-CE1 4.12Å; K1345-N1453 PolarHBondContact NZ-OD1 3.39Å; K1345-N1496 WeakPolarHBondContact CD-OD1 3.38Å; K1345-N1496 PolarHBondContact NZ-OD1 2.9Å |
| 1346 | V | 83.3 | Confident | 74.9 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.6 | 179.3 | -68.8 | 0 | 0 | 0 | 0 | 111.1 | L1343 A1352 P1394 C1418 K1419 A1420 Y1421 | L1343-V1346 HydrophobicContact CD2-CG1 3.65Å; L1343-V1346 HydrophobicContact CG-CG1 4.18Å; V1346-A1352 HydrophobicContact CB-CB 4.14Å; V1346-A1352 HydrophobicContact CG1-CB 3.7Å; V1346-P1394 HydrophobicContact CB-CG 4.27Å; V1346-P1394 HydrophobicContact CG2-CG 3.67Å; V1346-C1418 HydrophobicContact CG2-CB 4.29Å; V1346-K1419 PolarHBondContact N-O 3.32Å; V1346-A1420 HydrophobicContact CG2-CB 4.3Å; V1346-A1420 CarbonylContact O-C 3.56Å; V1346-A1420 VanDerWaalsContact O-CA 3.23Å; V1346-A1420 WeakPolarHBondContact O-CA 3.44Å; V1346-Y1421 VanDerWaalsContact O-CD1 3.28Å; V1346-Y1421 WeakPolarHBondContact O-CD1 3.41Å; V1346-Y1421 PolarHBondContact O-N 2.86Å |
| 1347 | A | 82.8 | Confident | 75.8 | Confident | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1349 Q1350 Y1421 | A1347-G1349 PolarHBondContact O-N 2.75Å; A1347-Q1350 HydrophobicContact CB-CB 4.11Å; A1347-Q1350 HydrophobicContact CB-CG 3.79Å; A1347-Q1350 PolarHBondContact O-N 3.01Å; A1347-Y1421 CarbonylContact C-O 3.22Å; A1347-Y1421 WeakPolarHBondContact CA-O 3.47Å; A1347-Y1421 HydrophobicContact CB-CE1 4.31Å; A1347-Y1421 HydrophobicContact CB-CE2 4.12Å |
| 1348 | V | 86.4 | Confident | 76.4 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 131.6 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | Q1350 V1397 A1420 Y1421 D1422 | V1348-Q1350 VanDerWaalsContact C-N 3.31Å; V1348-Q1350 PolarHBondContact O-N 3.42Å; V1348-V1397 HydrophobicContact CG2-CG2 4Å; V1348-A1420 HydrophobicContact CG2-CB 4.09Å; V1348-Y1421 WeakPolarHBondContact CG2-O 3.2Å; V1348-Y1421 PolarHBondContact N-O 3.14Å; V1348-D1422 HydrophobicContact CB-CB 4.25Å; V1348-D1422 HydrophobicContact CG2-CB 4.26Å |
| 1349 | G | 79.5 | Confident | 76.2 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -17.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1347 P1394 | A1347-G1349 PolarHBondContact O-N 2.75Å; G1349-P1394 PolarHBondContact N-O 3.01Å |
| 1350 | Q | 80.6 | Confident | 76.3 | Confident | 120 Ų | 120 | 52.4 Ų | 52.4 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -82.7 | 151.7 | 173.9 | -70 | -71.1 | 8.6 | 0 | 0 | 111.8 | A1347 V1348 P1394 | A1347-Q1350 HydrophobicContact CB-CB 4.11Å; A1347-Q1350 HydrophobicContact CB-CG 3.79Å; A1347-Q1350 PolarHBondContact O-N 3.01Å; V1348-Q1350 VanDerWaalsContact C-N 3.31Å; V1348-Q1350 PolarHBondContact O-N 3.42Å; Q1350-P1394 WeakPolarHBondContact O-CD 3.36Å |
| 1351 | P | 78.8 | Confident | 76.6 | Confident | 101 Ų | 101 | 54 Ų | 54 | 66% | 0.656 | 33% | 0.326 | S | S | * | . | trans | -69.9 | 129.3 | 169.6 | -14.9 | 30.3 | 0 | 0 | 0 | 111.4 | ||||
| 1352 | A | 82.6 | Confident | 77.8 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1343 V1346 E1391 F1392 | L1343-A1352 HydrophobicContact CD2-CB 4.14Å; V1346-A1352 HydrophobicContact CB-CB 4.14Å; V1346-A1352 HydrophobicContact CG1-CB 3.7Å; A1352-E1391 WeakPolarHBondContact O-CA 3.45Å; A1352-F1392 HydrophobicContact CB-CD1 4.33Å; A1352-F1392 HydrophobicContact CB-CE1 3.95Å; A1352-F1392 HydrophobicContact CB-CE2 4.38Å; A1352-F1392 HydrophobicContact CB-CZ 3.98Å; A1352-F1392 PolarHBondContact N-O 3.3Å; A1352-F1392 PolarHBondContact O-N 2.71Å |
| 1353 | S | 86.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147.6 | -177.2 | 77 | 0 | 0 | 0 | 0 | 116.4 | S1342 L1343 K1389 V1390 | S1342-S1353 PolarHBondContact OG-O 3.12Å; L1343-S1353 VanDerWaalsContact CD1-C 3.48Å; L1343-S1353 WeakPolarHBondContact CD1-O 3.42Å; S1353-K1389 WeakPolarHBondContact OG-CE 3.4Å; S1353-V1390 WeakPolarHBondContact CA-O 3.42Å; S1353-V1390 WeakPolarHBondContact CB-O 3.31Å |
| 1354 | F | 83.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162.6 | 173 | 56.8 | -76.1 | 0 | 0 | 0 | 111.1 | A1340 L1343 L1356 L1366 I1368 V1390 F1392 I1402 V1404 F1416 | A1340-F1354 HydrophobicContact CB-CB 4Å; L1343-F1354 HydrophobicContact CD1-CB 3.67Å; L1343-F1354 HydrophobicContact CD1-CD1 3.48Å; L1343-F1354 VanDerWaalsContact CD1-CD1 3.48Å; L1343-F1354 HydrophobicContact CD1-CE1 4.48Å; L1343-F1354 HydrophobicContact CD1-CG 4Å; F1354-L1356 HydrophobicContact CD2-CD2 4.02Å; F1354-L1356 HydrophobicContact CD2-CG 4.11Å; F1354-L1356 HydrophobicContact CE2-CD1 4.12Å; F1354-L1356 HydrophobicContact CE2-CD2 3.93Å; F1354-L1356 HydrophobicContact CE2-CG 4Å; F1354-L1366 HydrophobicContact CE2-CD1 4.23Å; F1354-L1366 HydrophobicContact CZ-CD1 4.02Å; F1354-L1366 HydrophobicContact CZ-CD2 4.4Å; F1354-I1368 HydrophobicContact CE1-CD1 4.38Å; F1354-V1390 HydrophobicContact CD1-CB 4.12Å; F1354-V1390 HydrophobicContact CD1-CG1 4.28Å; F1354-V1390 HydrophobicContact CD2-CB 4.27Å; F1354-V1390 HydrophobicContact CE1-CB 3.81Å; F1354-V1390 HydrophobicContact CE1-CG1 3.54Å; F1354-V1390 HydrophobicContact CE2-CB 3.96Å; F1354-V1390 HydrophobicContact CE2-CG1 4.23Å; F1354-V1390 HydrophobicContact CE2-CG2 4.14Å; F1354-V1390 HydrophobicContact CG-CB 4.36Å; F1354-V1390 HydrophobicContact CZ-CB 3.74Å; F1354-V1390 HydrophobicContact CZ-CG1 3.52Å; F1354-V1390 HydrophobicContact CZ-CG2 4.25Å; F1354-V1390 PolarHBondContact N-O 3.22Å; F1354-V1390 VanDerWaalsContact N-O 3.09Å; F1354-V1390 PolarHBondContact O-N 2.85Å; F1354-F1392 HydrophobicContact CD1-CE1 4.41Å; F1354-F1392 HydrophobicContact CE1-CD1 4.42Å; F1354-F1392 HydrophobicContact CE1-CE1 4.18Å; F1354-I1402 HydrophobicContact CE1-CD1 4.23Å; F1354-I1402 HydrophobicContact CE1-CG2 4.24Å; F1354-I1402 HydrophobicContact CE2-CG2 4.41Å; F1354-I1402 HydrophobicContact CZ-CG2 3.69Å; F1354-V1404 HydrophobicContact CE2-CG2 4.36Å; F1354-F1416 AromaticContact CD2-CZ 3.98Å; F1354-F1416 HydrophobicContact CD2-CZ 3.98Å; F1354-F1416 HydrophobicContact CE1-CZ 4.42Å; F1354-F1416 HydrophobicContact CE2-CE1 4.46Å; F1354-F1416 AromaticContact CE2-CZ 3.85Å; F1354-F1416 HydrophobicContact CE2-CZ 3.85Å; F1354-F1416 HydrophobicContact CG-CZ 4.31Å; F1354-F1416 HydrophobicContact CZ-CZ 4.07Å |
| 1355 | E | 83.4 | Confident | 80 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 150 | 173.4 | -66.4 | -172.1 | 161.8 | 0 | 0 | 111.9 | H1339 K1387 | H1339-E1355 HydrophobicContact CB-CB 4.07Å; H1339-E1355 PolarHBondContact N-O 2.88Å; H1339-E1355 PolarHBondContact O-N 3.17Å; E1355-K1387 WeakPolarHBondContact OE2-CD 3.41Å; E1355-K1387 WeakPolarHBondContact OE2-CE 3.32Å; E1355-K1387 IonicContact OE2-NZ 2.67Å; E1355-K1387 PolarHBondContact OE2-NZ 3.1Å |
| 1356 | L | 83.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.1 | 172.5 | -62.1 | 175.3 | 0 | 0 | 0 | 109.5 | I1338 F1354 L1364 L1366 K1387 V1388 V1390 V1404 | I1338-L1356 HydrophobicContact CB-CD2 4.1Å; I1338-L1356 HydrophobicContact CG1-CD2 3.75Å; I1338-L1356 HydrophobicContact CG2-CD2 3.98Å; F1354-L1356 HydrophobicContact CD2-CD2 4.02Å; F1354-L1356 HydrophobicContact CD2-CG 4.11Å; F1354-L1356 HydrophobicContact CE2-CD1 4.12Å; F1354-L1356 HydrophobicContact CE2-CD2 3.93Å; F1354-L1356 HydrophobicContact CE2-CG 4Å; L1356-L1364 HydrophobicContact CD1-CD1 3.95Å; L1356-L1364 HydrophobicContact CD1-CD2 3.89Å; L1356-L1366 HydrophobicContact CD1-CD1 3.77Å; L1356-K1387 WeakPolarHBondContact O-CA 3.35Å; L1356-V1388 HydrophobicContact CB-CB 4.38Å; L1356-V1388 PolarHBondContact N-O 2.79Å; L1356-V1388 PolarHBondContact O-N 2.86Å; L1356-V1390 HydrophobicContact CD1-CG2 3.79Å; L1356-V1390 HydrophobicContact CG-CG2 4.3Å; L1356-V1404 HydrophobicContact CD1-CG1 3.78Å; L1356-V1404 HydrophobicContact CD2-CG1 4.04Å |
| 1357 | E | 80.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.4 | 171.9 | -164.8 | -168.1 | 162 | 0 | 0 | 108.1 | L380 A1336 L1337 | L380-E1357 WeakPolarHBondContact CB-OE1 3.35Å; A1336-E1357 WeakPolarHBondContact CA-O 3.39Å; A1336-E1357 WeakPolarHBondContact CB-O 3.41Å; L1337-E1357 HydrophobicContact CB-CB 4.3Å; L1337-E1357 PolarHBondContact N-O 3.12Å; L1337-E1357 PolarHBondContact O-N 3.05Å |
| 1358 | V | 77.8 | Confident | 81.2 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -135.9 | 135.4 | -173.7 | -80.9 | 0 | 0 | 0 | 0 | 111.4 | A1336 D1360 L1364 G1386 V1388 Y1406 L1411 | A1336-V1358 HydrophobicContact CB-CG1 3.87Å; V1358-D1360 PolarHBondContact O-N 2.85Å; V1358-L1364 HydrophobicContact CG1-CD1 4.27Å; V1358-G1386 PolarHBondContact N-O 2.75Å; V1358-V1388 HydrophobicContact CG2-CG2 3.66Å; V1358-Y1406 HydrophobicContact CB-CD2 4.04Å; V1358-Y1406 HydrophobicContact CB-CE2 4.01Å; V1358-Y1406 HydrophobicContact CG1-CD2 3.66Å; V1358-Y1406 HydrophobicContact CG1-CE2 4.14Å; V1358-L1411 HydrophobicContact CG1-CD1 4.32Å | ||
| 1359 | P | 70.7 | Confident | 81.1 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -67.1 | -17.5 | -178.7 | -22.5 | 33.2 | 0 | 0 | 0 | 115.9 | ||
| 1360 | D | 76.4 | Confident | 81.3 | Confident | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | trans | -150.3 | 131.2 | -177.3 | -168.8 | -24.8 | 0 | 0 | 0 | 107.8 | V1358 D1362 A1363 Y1406 | V1358-D1360 PolarHBondContact O-N 2.85Å; D1360-D1362 PolarHBondContact OD1-N 2.87Å; D1360-A1363 HydrophobicContact CB-CB 4.42Å; D1360-Y1406 HydrophobicContact CB-CE2 4.41Å; D1360-Y1406 WeakPolarHBondContact O-CE2 3.47Å | ||
| 1361 | E | 73 | Confident | 81.1 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -81.9 | -22.7 | 179.1 | -67.3 | -159.4 | -178.8 | 0 | 0 | 113.4 | A1363 K1380 V1388 | E1361-A1363 VanDerWaalsContact C-N 3.32Å; E1361-K1380 WeakPolarHBondContact OE2-CD 3.25Å; E1361-K1380 WeakPolarHBondContact OE2-CE 3.48Å; E1361-K1380 IonicContact OE2-NZ 2.71Å; E1361-K1380 PolarHBondContact OE2-NZ 3.4Å; E1361-V1388 HydrophobicContact CG-CG2 3.72Å |
| 1362 | D | 76.5 | Confident | 81.1 | Confident | 152 Ų | 152 | 47 Ų | 47 | 81% | 0.813 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.1 | -174.6 | -73.8 | -16.3 | 0 | 0 | 0 | 112.1 | D1360 | D1360-D1362 PolarHBondContact OD1-N 2.87Š|
| 1363 | A | 75.8 | Confident | 80.9 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1360 E1361 Y1406 D1407 | D1360-A1363 HydrophobicContact CB-CB 4.42Å; E1361-A1363 VanDerWaalsContact C-N 3.32Å; A1363-Y1406 HydrophobicContact CB-CD2 4.34Å; A1363-Y1406 HydrophobicContact CB-CE2 4Å; A1363-Y1406 WeakPolarHBondContact O-CA 3.42Å; A1363-D1407 PolarHBondContact O-N 3.4Å |
| 1364 | L | 80.6 | Confident | 80.4 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.6 | -176.4 | -178.6 | 74.3 | 0 | 0 | 0 | 112 | L1356 V1358 V1404 | L1356-L1364 HydrophobicContact CD1-CD1 3.95Å; L1356-L1364 HydrophobicContact CD1-CD2 3.89Å; V1358-L1364 HydrophobicContact CG1-CD1 4.27Å; L1364-V1404 HydrophobicContact CD1-CG1 3.79Å |
| 1365 | D | 84.3 | Confident | 80.4 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.6 | 166.7 | 175.6 | 37.7 | 0 | 0 | 0 | 110.2 | R1405 | D1365-R1405 HydrophobicContact CB-CB 4.35Å; D1365-R1405 PolarHBondContact N-O 3.32Å; D1365-R1405 PolarHBondContact O-N 3.47Å; D1365-R1405 IonicContact OD2-NH1 3.44Å |
| 1366 | L | 88 | Confident | 80.5 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 118.5 | -171.7 | -162.3 | 164.7 | 0 | 0 | 0 | 110.9 | F1354 L1356 I1368 W1378 V1390 I1402 D1403 V1404 | F1354-L1366 HydrophobicContact CE2-CD1 4.23Å; F1354-L1366 HydrophobicContact CZ-CD1 4.02Å; F1354-L1366 HydrophobicContact CZ-CD2 4.4Å; L1356-L1366 HydrophobicContact CD1-CD1 3.77Å; L1366-I1368 HydrophobicContact CD2-CD1 4.19Å; L1366-I1368 HydrophobicContact CD2-CG1 3.6Å; L1366-W1378 HydrophobicContact CB-CH2 4.13Å; L1366-W1378 HydrophobicContact CB-CZ2 3.61Å; L1366-W1378 HydrophobicContact CD1-CH2 4.48Å; L1366-W1378 HydrophobicContact CD2-CD2 4.21Å; L1366-W1378 HydrophobicContact CD2-CG 4.32Å; L1366-W1378 HydrophobicContact CD2-CZ2 4.48Å; L1366-W1378 HydrophobicContact CG-CZ2 4.41Å; L1366-W1378 PolarHBondContact O-NE1 2.81Å; L1366-V1390 HydrophobicContact CD1-CB 4.48Å; L1366-V1390 HydrophobicContact CD1-CG1 4Å; L1366-V1390 HydrophobicContact CD1-CG2 3.79Å; L1366-I1402 HydrophobicContact CD2-CG2 4.41Å; L1366-D1403 WeakPolarHBondContact CA-O 3.41Å; L1366-V1404 HydrophobicContact CD1-CG1 4.19Å; L1366-V1404 HydrophobicContact CD1-CG2 4.36Å; L1366-V1404 HydrophobicContact CG-CG1 4.29Å; L1366-V1404 HydrophobicContact CG-CG2 4.13Å |
| 1367 | T | 88.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.4 | 177 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | L1375 D1403 | T1367-L1375 HydrophobicContact CG2-CD2 3.83Å; T1367-D1403 PolarHBondContact N-O 2.86Å; T1367-D1403 PolarHBondContact O-N 3.26Å |
| 1368 | I | 90.1 | Very high | 80.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.9 | 168.1 | -52.1 | -169.1 | 0 | 0 | 0 | 107.9 | F1354 L1366 L1375 I1376 W1378 F1392 Y1400 Q1401 I1402 | F1354-I1368 HydrophobicContact CE1-CD1 4.38Å; L1366-I1368 HydrophobicContact CD2-CD1 4.19Å; L1366-I1368 HydrophobicContact CD2-CG1 3.6Å; I1368-L1375 WeakPolarHBondContact O-CA 2.95Å; I1368-I1376 HydrophobicContact CB-CB 4.17Å; I1368-I1376 HydrophobicContact CG2-CB 3.95Å; I1368-I1376 HydrophobicContact CG2-CG1 4.47Å; I1368-I1376 HydrophobicContact CG2-CG2 4.25Å; I1368-I1376 PolarHBondContact O-N 3.47Å; I1368-W1378 HydrophobicContact CD1-CB 3.93Å; I1368-W1378 HydrophobicContact CD1-CG 4.33Å; I1368-F1392 HydrophobicContact CD1-CB 3.87Å; I1368-F1392 HydrophobicContact CD1-CD1 3.43Å; I1368-F1392 VanDerWaalsContact CD1-CD1 3.43Å; I1368-F1392 HydrophobicContact CD1-CD2 4.14Å; I1368-F1392 HydrophobicContact CD1-CE1 3.93Å; I1368-F1392 HydrophobicContact CD1-CG 3.55Å; I1368-F1392 HydrophobicContact CD1-CZ 4.46Å; I1368-F1392 HydrophobicContact CG2-CD2 4.21Å; I1368-F1392 HydrophobicContact CG2-CE2 4.24Å; I1368-Y1400 HydrophobicContact CG2-CD1 4.28Å; I1368-Q1401 CarbonylContact C-O 3.55Å; I1368-Q1401 WeakPolarHBondContact CA-O 3.42Å; I1368-I1402 HydrophobicContact CD1-CG1 4.48Å; I1368-I1402 HydrophobicContact CG1-CG1 4.19Å; I1368-I1402 HydrophobicContact CG1-CG2 4.33Å; I1368-I1402 HydrophobicContact CG2-CG1 4.12Å |
| 1369 | K | 83.5 | Confident | 81.2 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.6 | 175.5 | -67.8 | 172.1 | -172.8 | 165.6 | 0 | 110.3 | A1374 L1375 Y1400 Q1401 | K1369-A1374 CarbonylContact C-O 3.53Å; K1369-A1374 WeakPolarHBondContact CA-O 3.45Å; K1369-L1375 HydrophobicContact CG-CD2 3.85Å; K1369-Y1400 CarbonylContact O-C 3.56Å; K1369-Y1400 VanDerWaalsContact O-CA 3.23Å; K1369-Y1400 WeakPolarHBondContact O-CA 3.45Å; K1369-Y1400 WeakPolarHBondContact O-CB 3.34Å; K1369-Q1401 HydrophobicContact CB-CB 4.49Å; K1369-Q1401 PolarHBondContact N-O 3.22Å; K1369-Q1401 PolarHBondContact O-N 3.17Å |
| 1370 | D | 84.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | trans | -76.1 | 176.4 | 172 | 88 | -12.3 | 0 | 0 | 0 | 111.8 | S1372 G1373 A1374 I1376 Y1400 | D1370-S1372 PolarHBondContact O-N 3.28Å; D1370-S1372 VanDerWaalsContact O-N 3.08Å; D1370-S1372 VanDerWaalsContact OD1-CA 3.3Å; D1370-S1372 WeakPolarHBondContact OD1-CA 3.38Å; D1370-S1372 WeakPolarHBondContact OD1-CB 3.29Å; D1370-S1372 PolarHBondContact OD1-N 2.89Å; D1370-S1372 PolarHBondContact OD1-OG 2.95Å; D1370-S1372 PolarHBondContact OD2-OG 2.89Å; D1370-G1373 PolarHBondContact O-N 2.71Å; D1370-G1373 PolarHBondContact OD1-N 3.39Å; D1370-G1373 VanDerWaalsContact OD1-N 3.09Å; D1370-A1374 PolarHBondContact N-O 3.14Å; D1370-A1374 PolarHBondContact OD1-N 3.37Å; D1370-I1376 HydrophobicContact CB-CD1 3.95Å; D1370-I1376 HydrophobicContact CB-CG1 3.85Å; D1370-Y1400 HydrophobicContact CB-CD1 4.29Å; D1370-Y1400 HydrophobicContact CB-CE1 3.87Å | ||
| 1371 | P | 76.7 | Confident | 81.6 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 41% | 0.409 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.2 | 179.7 | -22.5 | 34.1 | 0 | 0 | 0 | 115.2 | Y1400 | P1371-Y1400 HydrophobicContact CG-CD2 4.17Å; P1371-Y1400 HydrophobicContact CG-CE2 3.87Å |
| 1372 | S | 79 | Confident | 81 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.1 | 172.2 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | D1370 | D1370-S1372 PolarHBondContact O-N 3.28Å; D1370-S1372 VanDerWaalsContact O-N 3.08Å; D1370-S1372 VanDerWaalsContact OD1-CA 3.3Å; D1370-S1372 WeakPolarHBondContact OD1-CA 3.38Å; D1370-S1372 WeakPolarHBondContact OD1-CB 3.29Å; D1370-S1372 PolarHBondContact OD1-N 2.89Å; D1370-S1372 PolarHBondContact OD1-OG 2.95Å; D1370-S1372 PolarHBondContact OD2-OG 2.89Å |
| 1373 | G | 76.5 | Confident | 79.8 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 87.2 | 3.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1370 | D1370-G1373 PolarHBondContact O-N 2.71Å; D1370-G1373 PolarHBondContact OD1-N 3.39Å; D1370-G1373 VanDerWaalsContact OD1-N 3.09Å |
| 1374 | A | 76.9 | Confident | 78.7 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 142.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1369 D1370 | K1369-A1374 CarbonylContact C-O 3.53Å; K1369-A1374 WeakPolarHBondContact CA-O 3.45Å; D1370-A1374 PolarHBondContact N-O 3.14Å; D1370-A1374 PolarHBondContact OD1-N 3.37Å |
| 1375 | L | 83.6 | Confident | 77.8 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 60% | 0.602 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.9 | -178.6 | -71 | 170.3 | 0 | 0 | 0 | 111.6 | T1367 I1368 K1369 | T1367-L1375 HydrophobicContact CG2-CD2 3.83Å; I1368-L1375 WeakPolarHBondContact O-CA 2.95Å; K1369-L1375 HydrophobicContact CG-CD2 3.85Å |
| 1376 | I | 84.6 | Confident | 76.9 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.7 | 176.6 | -68.6 | -74.2 | 0 | 0 | 0 | 108.9 | I1368 D1370 F1392 Y1400 | I1368-I1376 HydrophobicContact CB-CB 4.17Å; I1368-I1376 HydrophobicContact CG2-CB 3.95Å; I1368-I1376 HydrophobicContact CG2-CG1 4.47Å; I1368-I1376 HydrophobicContact CG2-CG2 4.25Å; I1368-I1376 PolarHBondContact O-N 3.47Å; D1370-I1376 HydrophobicContact CB-CD1 3.95Å; D1370-I1376 HydrophobicContact CB-CG1 3.85Å; I1376-F1392 HydrophobicContact CG2-CB 4.24Å; I1376-F1392 HydrophobicContact CG2-CD2 4.21Å; I1376-Y1400 HydrophobicContact CD1-CE1 4.01Å; I1376-Y1400 HydrophobicContact CG1-CD1 4.16Å; I1376-Y1400 HydrophobicContact CG1-CE1 3.85Å |
| 1377 | P | 83 | Confident | 76 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 136.4 | 172.3 | 29.4 | -34 | 0 | 0 | 0 | 110.4 | ||
| 1378 | W | 89.7 | Confident | 75.7 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 163.2 | 177.3 | 60 | -90.8 | 0 | 0 | 0 | 109.6 | L1366 I1368 K1380 V1390 E1391 F1392 | L1366-W1378 HydrophobicContact CB-CH2 4.13Å; L1366-W1378 HydrophobicContact CB-CZ2 3.61Å; L1366-W1378 HydrophobicContact CD1-CH2 4.48Å; L1366-W1378 HydrophobicContact CD2-CD2 4.21Å; L1366-W1378 HydrophobicContact CD2-CG 4.32Å; L1366-W1378 HydrophobicContact CD2-CZ2 4.48Å; L1366-W1378 HydrophobicContact CG-CZ2 4.41Å; L1366-W1378 PolarHBondContact O-NE1 2.81Å; I1368-W1378 HydrophobicContact CD1-CB 3.93Å; I1368-W1378 HydrophobicContact CD1-CG 4.33Å; W1378-K1380 HydrophobicContact CZ3-CB 4.09Å; W1378-K1380 HydrophobicContact CZ3-CG 4.42Å; W1378-V1390 HydrophobicContact CB-CG1 4.38Å; W1378-V1390 HydrophobicContact CD2-CG1 4.3Å; W1378-V1390 HydrophobicContact CE3-CG1 3.83Å; W1378-E1391 CarbonylContact C-O 3.35Å; W1378-E1391 VanDerWaalsContact CA-O 3.25Å; W1378-E1391 WeakPolarHBondContact CA-O 3.35Å; W1378-E1391 WeakPolarHBondContact CB-O 3.21Å; W1378-F1392 HydrophobicContact CB-CB 4.07Å |
| 1379 | S | 84.2 | Confident | 75.4 | Confident | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.9 | 176.8 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | E1391 | S1379-E1391 PolarHBondContact N-O 3.36Å; S1379-E1391 PolarHBondContact O-N 3.38Å |
| 1380 | K | 80.8 | Confident | 75.5 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.5 | 164.9 | 54.9 | 174 | -179.4 | 175.2 | 0 | 111.6 | E1361 W1378 V1388 K1389 | E1361-K1380 WeakPolarHBondContact OE2-CD 3.25Å; E1361-K1380 WeakPolarHBondContact OE2-CE 3.48Å; E1361-K1380 IonicContact OE2-NZ 2.71Å; E1361-K1380 PolarHBondContact OE2-NZ 3.4Å; W1378-K1380 HydrophobicContact CZ3-CB 4.09Å; W1378-K1380 HydrophobicContact CZ3-CG 4.42Å; K1380-V1388 HydrophobicContact CB-CG1 3.51Å; K1380-V1388 HydrophobicContact CD-CG1 4.04Å; K1380-V1388 HydrophobicContact CG-CG1 4.43Å; K1380-K1389 CarbonylContact C-O 3.58Å; K1380-K1389 VanDerWaalsContact CA-O 3.31Å; K1380-K1389 WeakPolarHBondContact CA-O 2.94Å |
| 1381 | S | 75.7 | Confident | 75.7 | Confident | 51 Ų | 51 | 64 Ų | 64 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.6 | 157.7 | 43.1 | 0 | 0 | 0 | 0 | 108.5 | K1389 | S1381-K1389 PolarHBondContact N-O 2.87Å; S1381-K1389 PolarHBondContact O-N 2.89Å |
| 1382 | G | 59.1 | Low | 76.4 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 151.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1383 | S | 51.2 | Low | 76.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.2 | 163.7 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | D1385 G1386 K1387 | S1383-D1385 PolarHBondContact O-N 2.81Å; S1383-G1386 PolarHBondContact O-N 3.2Å; S1383-K1387 PolarHBondContact N-O 2.81Å |
| 1384 | D | 53.6 | Low | 77.1 | Confident | 182 Ų | 182 | 56.9 Ų | 56.9 | 97% | 0.973 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -2 | -169 | -71.5 | -43.7 | 0 | 0 | 0 | 115.6 | ||
| 1385 | D | 61.4 | Low | 77.5 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.4 | -178.8 | -77.5 | -50.9 | 0 | 0 | 0 | 115.3 | T381 A382 S1383 | T381-D1385 HydrophobicContact CG2-CB 3.42Å; T381-D1385 VanDerWaalsContact CG2-CB 3.42Å; A382-D1385 WeakPolarHBondContact CA-OD1 3.02Å; A382-D1385 PolarHBondContact N-OD2 3.49Å; S1383-D1385 PolarHBondContact O-N 2.81Å |
| 1386 | G | 64.7 | Low | 77.6 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 25.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | V1358 S1383 | V1358-G1386 PolarHBondContact N-O 2.75Å; S1383-G1386 PolarHBondContact O-N 3.2Å |
| 1387 | K | 69.9 | Low | 77.6 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 10% | 0.1 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.9 | 166.7 | -100.1 | -179.8 | -171.5 | -174.3 | 0 | 111.5 | L380 T381 E1355 L1356 S1383 | L380-K1387 VanDerWaalsContact O-CE 3.31Å; L380-K1387 WeakPolarHBondContact O-CE 3.33Å; T381-K1387 HydrophobicContact CG2-CB 3.8Å; T381-K1387 HydrophobicContact CG2-CD 3.57Å; T381-K1387 HydrophobicContact CG2-CG 3.5Å; T381-K1387 WeakPolarHBondContact OG1-CD 3.42Å; T381-K1387 WeakPolarHBondContact OG1-CE 3.12Å; T381-K1387 PolarHBondContact OG1-NZ 3.33Å; E1355-K1387 WeakPolarHBondContact OE2-CD 3.41Å; E1355-K1387 WeakPolarHBondContact OE2-CE 3.32Å; E1355-K1387 IonicContact OE2-NZ 2.67Å; E1355-K1387 PolarHBondContact OE2-NZ 3.1Å; L1356-K1387 WeakPolarHBondContact O-CA 3.35Å; S1383-K1387 PolarHBondContact N-O 2.81Å |
| 1388 | V | 81.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116.4 | 174.3 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | L1356 V1358 E1361 K1380 V1390 | L1356-V1388 HydrophobicContact CB-CB 4.38Å; L1356-V1388 PolarHBondContact N-O 2.79Å; L1356-V1388 PolarHBondContact O-N 2.86Å; V1358-V1388 HydrophobicContact CG2-CG2 3.66Å; E1361-V1388 HydrophobicContact CG-CG2 3.72Å; K1380-V1388 HydrophobicContact CB-CG1 3.51Å; K1380-V1388 HydrophobicContact CD-CG1 4.04Å; K1380-V1388 HydrophobicContact CG-CG1 4.43Å; V1388-V1390 HydrophobicContact CG1-CG2 4.22Å |
| 1389 | K | 84.5 | Confident | 76.8 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.4 | 166.8 | -167.7 | -169.1 | -174.7 | -158.3 | 0 | 108.5 | S1353 K1380 S1381 E1391 | S1353-K1389 WeakPolarHBondContact OG-CE 3.4Å; K1380-K1389 CarbonylContact C-O 3.58Å; K1380-K1389 VanDerWaalsContact CA-O 3.31Å; K1380-K1389 WeakPolarHBondContact CA-O 2.94Å; S1381-K1389 PolarHBondContact N-O 2.87Å; S1381-K1389 PolarHBondContact O-N 2.89Å; K1389-E1391 WeakPolarHBondContact CE-OE1 3.42Å; K1389-E1391 IonicContact NZ-OE1 2.63Å; K1389-E1391 PolarHBondContact NZ-OE1 3.45Å |
| 1390 | V | 86.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.3 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | S1353 F1354 L1356 L1366 W1378 V1388 | S1353-V1390 WeakPolarHBondContact CA-O 3.42Å; S1353-V1390 WeakPolarHBondContact CB-O 3.31Å; F1354-V1390 HydrophobicContact CD1-CB 4.12Å; F1354-V1390 HydrophobicContact CD1-CG1 4.28Å; F1354-V1390 HydrophobicContact CD2-CB 4.27Å; F1354-V1390 HydrophobicContact CE1-CB 3.81Å; F1354-V1390 HydrophobicContact CE1-CG1 3.54Å; F1354-V1390 HydrophobicContact CE2-CB 3.96Å; F1354-V1390 HydrophobicContact CE2-CG1 4.23Å; F1354-V1390 HydrophobicContact CE2-CG2 4.14Å; F1354-V1390 HydrophobicContact CG-CB 4.36Å; F1354-V1390 HydrophobicContact CZ-CB 3.74Å; F1354-V1390 HydrophobicContact CZ-CG1 3.52Å; F1354-V1390 HydrophobicContact CZ-CG2 4.25Å; F1354-V1390 PolarHBondContact N-O 3.22Å; F1354-V1390 VanDerWaalsContact N-O 3.09Å; F1354-V1390 PolarHBondContact O-N 2.85Å; L1356-V1390 HydrophobicContact CD1-CG2 3.79Å; L1356-V1390 HydrophobicContact CG-CG2 4.3Å; L1366-V1390 HydrophobicContact CD1-CB 4.48Å; L1366-V1390 HydrophobicContact CD1-CG1 4Å; L1366-V1390 HydrophobicContact CD1-CG2 3.79Å; W1378-V1390 HydrophobicContact CB-CG1 4.38Å; W1378-V1390 HydrophobicContact CD2-CG1 4.3Å; W1378-V1390 HydrophobicContact CE3-CG1 3.83Å; V1388-V1390 HydrophobicContact CG1-CG2 4.22Å |
| 1391 | E | 87.4 | Confident | 76.9 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.9 | -177.3 | -80.3 | 170.6 | 172.4 | 0 | 0 | 111.7 | A1352 W1378 S1379 K1389 | A1352-E1391 WeakPolarHBondContact O-CA 3.45Å; W1378-E1391 CarbonylContact C-O 3.35Å; W1378-E1391 VanDerWaalsContact CA-O 3.25Å; W1378-E1391 WeakPolarHBondContact CA-O 3.35Å; W1378-E1391 WeakPolarHBondContact CB-O 3.21Å; S1379-E1391 PolarHBondContact N-O 3.36Å; S1379-E1391 PolarHBondContact O-N 3.38Å; K1389-E1391 WeakPolarHBondContact CE-OE1 3.42Å; K1389-E1391 IonicContact NZ-OE1 2.63Å; K1389-E1391 PolarHBondContact NZ-OE1 3.45Å |
| 1392 | F | 90.5 | Very high | 77.5 | Confident | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 160.9 | 174 | 70.8 | -78.4 | 0 | 0 | 0 | 111.2 | L1343 A1352 F1354 I1368 I1376 W1378 P1394 Y1400 I1402 | L1343-F1392 HydrophobicContact CD1-CE1 4.24Å; L1343-F1392 HydrophobicContact CD2-CE1 3.93Å; L1343-F1392 HydrophobicContact CD2-CZ 3.73Å; A1352-F1392 HydrophobicContact CB-CD1 4.33Å; A1352-F1392 HydrophobicContact CB-CE1 3.95Å; A1352-F1392 HydrophobicContact CB-CE2 4.38Å; A1352-F1392 HydrophobicContact CB-CZ 3.98Å; A1352-F1392 PolarHBondContact N-O 3.3Å; A1352-F1392 PolarHBondContact O-N 2.71Å; F1354-F1392 HydrophobicContact CD1-CE1 4.41Å; F1354-F1392 HydrophobicContact CE1-CD1 4.42Å; F1354-F1392 HydrophobicContact CE1-CE1 4.18Å; I1368-F1392 HydrophobicContact CD1-CB 3.87Å; I1368-F1392 HydrophobicContact CD1-CD1 3.43Å; I1368-F1392 VanDerWaalsContact CD1-CD1 3.43Å; I1368-F1392 HydrophobicContact CD1-CD2 4.14Å; I1368-F1392 HydrophobicContact CD1-CE1 3.93Å; I1368-F1392 HydrophobicContact CD1-CG 3.55Å; I1368-F1392 HydrophobicContact CD1-CZ 4.46Å; I1368-F1392 HydrophobicContact CG2-CD2 4.21Å; I1368-F1392 HydrophobicContact CG2-CE2 4.24Å; I1376-F1392 HydrophobicContact CG2-CB 4.24Å; I1376-F1392 HydrophobicContact CG2-CD2 4.21Å; W1378-F1392 HydrophobicContact CB-CB 4.07Å; F1392-P1394 HydrophobicContact CE2-CG 4.12Å; F1392-Y1400 HydrophobicContact CE2-CD1 4.3Å; F1392-I1402 HydrophobicContact CE1-CD1 4.15Å; F1392-I1402 HydrophobicContact CZ-CD1 4.06Å |
| 1393 | A | 86.7 | Confident | 78.8 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | trans | -115.8 | 118 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1394 | P | 85.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | trans | -64.9 | 134.5 | 173.4 | -15.6 | 29.3 | 0 | 0 | 0 | 110.7 | V1346 G1349 Q1350 F1392 Y1400 A1420 | V1346-P1394 HydrophobicContact CB-CG 4.27Å; V1346-P1394 HydrophobicContact CG2-CG 3.67Å; G1349-P1394 PolarHBondContact N-O 3.01Å; Q1350-P1394 WeakPolarHBondContact O-CD 3.36Å; F1392-P1394 HydrophobicContact CE2-CG 4.12Å; P1394-Y1400 HydrophobicContact CB-CE1 4.19Å; P1394-Y1400 HydrophobicContact CB-CE2 4.15Å; P1394-A1420 HydrophobicContact CB-CB 3.83Å; P1394-A1420 HydrophobicContact CG-CB 4.48Å | ||
| 1395 | K | 84 | Confident | 81.7 | Confident | 150 Ų | 150 | 39.8 Ų | 39.8 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | trans | -108.2 | -13.7 | -175.3 | -64.8 | -173.7 | 179.3 | 179.4 | 0 | 114.6 | Y1400 | K1395-Y1400 PolarHBondContact N-OH 3.08Š| ||
| 1396 | S | 86.5 | Confident | 82.6 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -148.6 | 151.1 | -177.6 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | Y1400 A1420 | S1396-Y1400 PolarHBondContact N-OH 3.2Å; S1396-Y1400 WeakPolarHBondContact O-CE2 3.18Å; S1396-Y1400 PolarHBondContact O-OH 3.49Å; S1396-Y1400 PolarHBondContact OG-OH 2.86Å; S1396-A1420 WeakPolarHBondContact O-CB 3.12Å |
| 1397 | V | 85.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -65.9 | 141.1 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111 | V1348 D1422 | V1348-V1397 HydrophobicContact CG2-CG2 4Å; V1397-D1422 HydrophobicContact CG2-CB 3.29Å |
| 1398 | G | 77.1 | Confident | 83.5 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | -167.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | A1420 | G1398-A1420 PolarHBondContact N-O 3.31Å; G1398-A1420 WeakPolarHBondContact O-CB 3.08Å; G1398-A1420 PolarHBondContact O-N 2.92Å |
| 1399 | L | 78.7 | Confident | 82.7 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.4 | -179 | -154.3 | 76.8 | 0 | 0 | 0 | 110.4 | I1261 T1417 K1419 | I1261-L1399 HydrophobicContact CG2-CD2 4.19Å; L1399-T1417 HydrophobicContact CD2-CG2 3.91Å; L1399-T1417 HydrophobicContact CG-CG2 4.08Å; L1399-K1419 HydrophobicContact CD1-CG 3.67Å |
| 1400 | Y | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.7 | 173.2 | -72.5 | -121.3 | 0 | 0 | 0 | 108.3 | I1368 K1369 D1370 P1371 I1376 F1392 P1394 K1395 S1396 T1417 C1418 A1420 | I1368-Y1400 HydrophobicContact CG2-CD1 4.28Å; K1369-Y1400 CarbonylContact O-C 3.56Å; K1369-Y1400 VanDerWaalsContact O-CA 3.23Å; K1369-Y1400 WeakPolarHBondContact O-CA 3.45Å; K1369-Y1400 WeakPolarHBondContact O-CB 3.34Å; D1370-Y1400 HydrophobicContact CB-CD1 4.29Å; D1370-Y1400 HydrophobicContact CB-CE1 3.87Å; P1371-Y1400 HydrophobicContact CG-CD2 4.17Å; P1371-Y1400 HydrophobicContact CG-CE2 3.87Å; I1376-Y1400 HydrophobicContact CD1-CE1 4.01Å; I1376-Y1400 HydrophobicContact CG1-CD1 4.16Å; I1376-Y1400 HydrophobicContact CG1-CE1 3.85Å; F1392-Y1400 HydrophobicContact CE2-CD1 4.3Å; P1394-Y1400 HydrophobicContact CB-CE1 4.19Å; P1394-Y1400 HydrophobicContact CB-CE2 4.15Å; K1395-Y1400 PolarHBondContact N-OH 3.08Å; S1396-Y1400 PolarHBondContact N-OH 3.2Å; S1396-Y1400 WeakPolarHBondContact O-CE2 3.18Å; S1396-Y1400 PolarHBondContact O-OH 3.49Å; S1396-Y1400 PolarHBondContact OG-OH 2.86Å; Y1400-T1417 WeakPolarHBondContact O-CA 3.4Å; Y1400-T1417 WeakPolarHBondContact O-CB 3.34Å; Y1400-T1417 WeakPolarHBondContact O-CG2 3.09Å; Y1400-C1418 PolarHBondContact N-O 2.93Å; Y1400-C1418 PolarHBondContact O-N 2.98Å; Y1400-A1420 HydrophobicContact CD2-CB 3.78Å; Y1400-A1420 HydrophobicContact CE2-CB 3.38Å |
| 1401 | Q | 81.9 | Confident | 81.3 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.3 | 179.3 | -170.9 | 179.8 | 4.6 | 0 | 0 | 110.4 | I1368 K1369 P1415 T1417 | I1368-Q1401 CarbonylContact C-O 3.55Å; I1368-Q1401 WeakPolarHBondContact CA-O 3.42Å; K1369-Q1401 HydrophobicContact CB-CB 4.49Å; K1369-Q1401 PolarHBondContact N-O 3.22Å; K1369-Q1401 PolarHBondContact O-N 3.17Å; Q1401-P1415 HydrophobicContact CG-CB 4.26Å; Q1401-T1417 HydrophobicContact CB-CG2 4.43Å; Q1401-T1417 HydrophobicContact CG-CG2 4.44Å |
| 1402 | I | 87.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.7 | -175.5 | -58.6 | 167.1 | 0 | 0 | 0 | 107.8 | F1354 L1366 I1368 F1392 V1404 S1414 P1415 F1416 | F1354-I1402 HydrophobicContact CE1-CD1 4.23Å; F1354-I1402 HydrophobicContact CE1-CG2 4.24Å; F1354-I1402 HydrophobicContact CE2-CG2 4.41Å; F1354-I1402 HydrophobicContact CZ-CG2 3.69Å; L1366-I1402 HydrophobicContact CD2-CG2 4.41Å; I1368-I1402 HydrophobicContact CD1-CG1 4.48Å; I1368-I1402 HydrophobicContact CG1-CG1 4.19Å; I1368-I1402 HydrophobicContact CG1-CG2 4.33Å; I1368-I1402 HydrophobicContact CG2-CG1 4.12Å; F1392-I1402 HydrophobicContact CE1-CD1 4.15Å; F1392-I1402 HydrophobicContact CZ-CD1 4.06Å; I1402-V1404 HydrophobicContact CG2-CG2 3.81Å; I1402-S1414 PolarHBondContact O-OG 2.87Å; I1402-P1415 CarbonylContact O-C 3.46Å; I1402-P1415 VanDerWaalsContact O-CA 3.25Å; I1402-P1415 WeakPolarHBondContact O-CA 3.3Å; I1402-F1416 HydrophobicContact CB-CD1 4.38Å; I1402-F1416 HydrophobicContact CB-CD2 4.24Å; I1402-F1416 HydrophobicContact CB-CE1 4.12Å; I1402-F1416 HydrophobicContact CB-CE2 3.99Å; I1402-F1416 HydrophobicContact CB-CG 4.44Å; I1402-F1416 HydrophobicContact CB-CZ 3.92Å; I1402-F1416 HydrophobicContact CD1-CD2 4.14Å; I1402-F1416 HydrophobicContact CD1-CE2 3.54Å; I1402-F1416 HydrophobicContact CD1-CZ 4.05Å; I1402-F1416 HydrophobicContact CG1-CE2 4.34Å; I1402-F1416 HydrophobicContact CG2-CD1 4.39Å; I1402-F1416 HydrophobicContact CG2-CE1 3.69Å; I1402-F1416 HydrophobicContact CG2-CE2 4.07Å; I1402-F1416 HydrophobicContact CG2-CZ 3.51Å; I1402-F1416 PolarHBondContact N-O 2.87Å; I1402-F1416 PolarHBondContact O-N 2.84Å |
| 1403 | D | 85.7 | Confident | 78.4 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126 | 173.4 | -170.3 | 2.2 | 0 | 0 | 0 | 108.6 | L1366 T1367 R1405 S1410 S1414 P1415 | L1366-D1403 WeakPolarHBondContact CA-O 3.41Å; T1367-D1403 PolarHBondContact N-O 2.86Å; T1367-D1403 PolarHBondContact O-N 3.26Å; D1403-R1405 IonicContact OD1-NE 2.71Å; D1403-R1405 IonicContact OD2-CZ 2.97Å; D1403-R1405 IonicContact OD2-NE 3.38Å; D1403-R1405 PolarHBondContact OD2-NE 3.18Å; D1403-R1405 IonicContact OD2-NH2 2.8Å; D1403-R1405 PolarHBondContact OD2-NH2 3.01Å; D1403-S1410 PolarHBondContact OD1-OG 2.84Å; D1403-S1414 WeakPolarHBondContact CA-OG 3.36Å; D1403-P1415 HydrophobicContact CB-CB 4.13Å |
| 1404 | V | 85.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.7 | -173 | -166 | 0 | 0 | 0 | 0 | 107.9 | I1338 F1354 L1356 L1364 L1366 I1402 S1410 L1411 S1414 F1416 | I1338-V1404 HydrophobicContact CD1-CB 4.43Å; F1354-V1404 HydrophobicContact CE2-CG2 4.36Å; L1356-V1404 HydrophobicContact CD1-CG1 3.78Å; L1356-V1404 HydrophobicContact CD2-CG1 4.04Å; L1364-V1404 HydrophobicContact CD1-CG1 3.79Å; L1366-V1404 HydrophobicContact CD1-CG1 4.19Å; L1366-V1404 HydrophobicContact CD1-CG2 4.36Å; L1366-V1404 HydrophobicContact CG-CG1 4.29Å; L1366-V1404 HydrophobicContact CG-CG2 4.13Å; I1402-V1404 HydrophobicContact CG2-CG2 3.81Å; V1404-S1410 WeakPolarHBondContact O-CA 3.49Å; V1404-L1411 HydrophobicContact CG1-CD1 3.88Å; V1404-L1411 PolarHBondContact O-N 3.41Å; V1404-S1414 PolarHBondContact N-OG 2.9Å; V1404-F1416 HydrophobicContact CG2-CE1 3.8Å |
| 1405 | R | 80.3 | Confident | 76.8 | Confident | 77 Ų | 77 | 55 Ų | 55 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.5 | -175 | -53.7 | 179.5 | -171.4 | 163 | 3.2 | 110.1 | D1365 D1403 V1409 | D1365-R1405 HydrophobicContact CB-CB 4.35Å; D1365-R1405 PolarHBondContact N-O 3.32Å; D1365-R1405 PolarHBondContact O-N 3.47Å; D1365-R1405 IonicContact OD2-NH1 3.44Å; D1403-R1405 IonicContact OD1-NE 2.71Å; D1403-R1405 IonicContact OD2-CZ 2.97Å; D1403-R1405 IonicContact OD2-NE 3.38Å; D1403-R1405 PolarHBondContact OD2-NE 3.18Å; D1403-R1405 IonicContact OD2-NH2 2.8Å; D1403-R1405 PolarHBondContact OD2-NH2 3.01Å; R1405-V1409 CarbonylContact C-O 3.59Å; R1405-V1409 WeakPolarHBondContact CA-O 2.92Å |
| 1406 | Y | 80.7 | Confident | 76.4 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 121.4 | 176.4 | -180 | -84.1 | 0 | 0 | 0 | 107.4 | V1358 D1360 A1363 D1408 V1409 L1411 | V1358-Y1406 HydrophobicContact CB-CD2 4.04Å; V1358-Y1406 HydrophobicContact CB-CE2 4.01Å; V1358-Y1406 HydrophobicContact CG1-CD2 3.66Å; V1358-Y1406 HydrophobicContact CG1-CE2 4.14Å; D1360-Y1406 HydrophobicContact CB-CE2 4.41Å; D1360-Y1406 WeakPolarHBondContact O-CE2 3.47Å; A1363-Y1406 HydrophobicContact CB-CD2 4.34Å; A1363-Y1406 HydrophobicContact CB-CE2 4Å; A1363-Y1406 WeakPolarHBondContact O-CA 3.42Å; Y1406-D1408 PolarHBondContact O-N 2.81Å; Y1406-V1409 PolarHBondContact N-O 2.9Å; Y1406-V1409 PolarHBondContact O-N 3Å; Y1406-L1411 HydrophobicContact CG-CD2 4.46Å |
| 1407 | D | 78.6 | Confident | 75.8 | Confident | 125 Ų | 125 | 48.7 Ų | 48.7 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 52.6 | -177.8 | -158.2 | 26.5 | 0 | 0 | 0 | 111.7 | A1363 V1409 | A1363-D1407 PolarHBondContact O-N 3.4Å; D1407-V1409 PolarHBondContact O-N 2.8Å |
| 1408 | D | 74.6 | Confident | 75.3 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 79% | 0.786 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 1.2 | -172.1 | -91.7 | -38.5 | 0 | 0 | 0 | 117.1 | Y1406 | Y1406-D1408 PolarHBondContact O-N 2.81Š|
| 1409 | V | 64.5 | Low | 75.5 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | R1405 Y1406 D1407 L1411 | R1405-V1409 CarbonylContact C-O 3.59Å; R1405-V1409 WeakPolarHBondContact CA-O 2.92Å; Y1406-V1409 PolarHBondContact N-O 2.9Å; Y1406-V1409 PolarHBondContact O-N 3Å; D1407-V1409 PolarHBondContact O-N 2.8Å; V1409-L1411 PolarHBondContact O-N 3.22Å |
| 1410 | S | 69.4 | Low | 75.8 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 132.7 | 173.7 | -66 | 0 | 0 | 0 | 0 | 112.3 | D1403 V1404 | D1403-S1410 PolarHBondContact OD1-OG 2.84Å; V1404-S1410 WeakPolarHBondContact O-CA 3.49Å |
| 1411 | L | 71.1 | Confident | 76 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.1 | -174.3 | -73.7 | -174.8 | 0 | 0 | 0 | 113.3 | A1336 I1338 V1358 V1404 Y1406 V1409 G1413 S1414 | A1336-L1411 HydrophobicContact CB-CD1 4.31Å; A1336-L1411 HydrophobicContact CB-CD2 3.54Å; I1338-L1411 HydrophobicContact CD1-CB 3.84Å; I1338-L1411 HydrophobicContact CG1-CB 4.11Å; I1338-L1411 HydrophobicContact CG1-CD1 4.25Å; V1358-L1411 HydrophobicContact CG1-CD1 4.32Å; V1404-L1411 HydrophobicContact CG1-CD1 3.88Å; V1404-L1411 PolarHBondContact O-N 3.41Å; Y1406-L1411 HydrophobicContact CG-CD2 4.46Å; V1409-L1411 PolarHBondContact O-N 3.22Å; L1411-G1413 PolarHBondContact O-N 3.27Å; L1411-S1414 WeakPolarHBondContact O-CB 3.47Å; L1411-S1414 PolarHBondContact O-N 2.92Å |
| 1412 | P | 59 | Low | 76.2 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 89.4 | -175.5 | -22.1 | 35.3 | 0 | 0 | 0 | 114.5 | K1256 T1334 | K1256-P1412 PolarHBondContact NZ-O 2.9Å; T1334-P1412 VanDerWaalsContact OG1-CG 3.28Å; T1334-P1412 WeakPolarHBondContact OG1-CG 3.36Å |
| 1413 | G | 58.9 | Low | 76 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 130.9 | 2.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1411 F1416 | L1411-G1413 PolarHBondContact O-N 3.27Å; G1413-F1416 WeakPolarHBondContact O-CB 3.35Å |
| 1414 | S | 71.2 | Confident | 75.8 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | trans | -116.1 | 147.6 | 176.7 | -148.3 | 0 | 0 | 0 | 0 | 111.8 | I1402 D1403 V1404 L1411 | I1402-S1414 PolarHBondContact O-OG 2.87Å; D1403-S1414 WeakPolarHBondContact CA-OG 3.36Å; V1404-S1414 PolarHBondContact N-OG 2.9Å; L1411-S1414 WeakPolarHBondContact O-CB 3.47Å; L1411-S1414 PolarHBondContact O-N 2.92Å | ||
| 1415 | P | 67 | Low | 75.8 | Confident | 69 Ų | 69 | 48.4 Ų | 48.4 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -70.3 | 141.5 | -5.7 | 29.5 | -35.4 | 0 | 0 | 0 | 112.9 | Q1401 I1402 D1403 | Q1401-P1415 HydrophobicContact CG-CB 4.26Å; I1402-P1415 CarbonylContact O-C 3.46Å; I1402-P1415 VanDerWaalsContact O-CA 3.25Å; I1402-P1415 WeakPolarHBondContact O-CA 3.3Å; D1403-P1415 HydrophobicContact CB-CB 4.13Å |
| 1416 | F | 75.8 | Confident | 76 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 179.1 | 171.9 | 63 | -84.8 | 0 | 0 | 0 | 111 | I1338 A1340 F1354 I1402 V1404 G1413 | I1338-F1416 HydrophobicContact CD1-CD1 4.35Å; I1338-F1416 HydrophobicContact CD1-CE1 4.15Å; I1338-F1416 HydrophobicContact CG2-CD1 4.47Å; I1338-F1416 HydrophobicContact CG2-CE1 3.79Å; I1338-F1416 HydrophobicContact CG2-CZ 4.12Å; A1340-F1416 HydrophobicContact CB-CD2 4.25Å; A1340-F1416 HydrophobicContact CB-CE2 3.64Å; A1340-F1416 HydrophobicContact CB-CZ 3.88Å; F1354-F1416 AromaticContact CD2-CZ 3.98Å; F1354-F1416 HydrophobicContact CD2-CZ 3.98Å; F1354-F1416 HydrophobicContact CE1-CZ 4.42Å; F1354-F1416 HydrophobicContact CE2-CE1 4.46Å; F1354-F1416 AromaticContact CE2-CZ 3.85Å; F1354-F1416 HydrophobicContact CE2-CZ 3.85Å; F1354-F1416 HydrophobicContact CG-CZ 4.31Å; F1354-F1416 HydrophobicContact CZ-CZ 4.07Å; I1402-F1416 HydrophobicContact CB-CD1 4.38Å; I1402-F1416 HydrophobicContact CB-CD2 4.24Å; I1402-F1416 HydrophobicContact CB-CE1 4.12Å; I1402-F1416 HydrophobicContact CB-CE2 3.99Å; I1402-F1416 HydrophobicContact CB-CG 4.44Å; I1402-F1416 HydrophobicContact CB-CZ 3.92Å; I1402-F1416 HydrophobicContact CD1-CD2 4.14Å; I1402-F1416 HydrophobicContact CD1-CE2 3.54Å; I1402-F1416 HydrophobicContact CD1-CZ 4.05Å; I1402-F1416 HydrophobicContact CG1-CE2 4.34Å; I1402-F1416 HydrophobicContact CG2-CD1 4.39Å; I1402-F1416 HydrophobicContact CG2-CE1 3.69Å; I1402-F1416 HydrophobicContact CG2-CE2 4.07Å; I1402-F1416 HydrophobicContact CG2-CZ 3.51Å; I1402-F1416 PolarHBondContact N-O 2.87Å; I1402-F1416 PolarHBondContact O-N 2.84Å; V1404-F1416 HydrophobicContact CG2-CE1 3.8Å; G1413-F1416 WeakPolarHBondContact O-CB 3.35Å |
| 1417 | T | 72.9 | Confident | 76 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.5 | -177.2 | 60.3 | 0 | 0 | 0 | 0 | 113 | I1261 L1399 Y1400 Q1401 | I1261-T1417 HydrophobicContact CG2-CG2 3.65Å; L1399-T1417 HydrophobicContact CD2-CG2 3.91Å; L1399-T1417 HydrophobicContact CG-CG2 4.08Å; Y1400-T1417 WeakPolarHBondContact O-CA 3.4Å; Y1400-T1417 WeakPolarHBondContact O-CB 3.34Å; Y1400-T1417 WeakPolarHBondContact O-CG2 3.09Å; Q1401-T1417 HydrophobicContact CB-CG2 4.43Å; Q1401-T1417 HydrophobicContact CG-CG2 4.44Å |
| 1418 | C | 76 | Confident | 76.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155.7 | 164.2 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | L1343 V1346 Y1400 | L1343-C1418 HydrophobicContact CB-CB 4.39Å; L1343-C1418 HydrophobicContact CD2-CB 3.31Å; L1343-C1418 HydrophobicContact CG-CB 4.46Å; L1343-C1418 WeakPolarHBondContact O-CA 3.43Å; L1343-C1418 WeakPolarHBondContact O-CB 3.22Å; V1346-C1418 HydrophobicContact CG2-CB 4.29Å; Y1400-C1418 PolarHBondContact N-O 2.93Å; Y1400-C1418 PolarHBondContact O-N 2.98Å |
| 1419 | K | 80.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 106.9 | 177.8 | -63 | 150.7 | -175.4 | 159.5 | 0 | 109.6 | E1344 K1345 V1346 L1399 T1451 | E1344-K1419 WeakPolarHBondContact O-CB 3.46Å; E1344-K1419 PolarHBondContact O-N 2.79Å; E1344-K1419 IonicContact OE1-NZ 3.92Å; K1345-K1419 WeakPolarHBondContact CA-O 2.84Å; V1346-K1419 PolarHBondContact N-O 3.32Å; L1399-K1419 HydrophobicContact CD1-CG 3.67Å; K1419-T1451 VanDerWaalsContact CB-OG1 3.28Å; K1419-T1451 WeakPolarHBondContact CB-OG1 3.1Å; K1419-T1451 WeakPolarHBondContact CD-OG1 3.4Å |
| 1420 | A | 85 | Confident | 77.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1346 V1348 P1394 S1396 G1398 Y1400 | V1346-A1420 HydrophobicContact CG2-CB 4.3Å; V1346-A1420 CarbonylContact O-C 3.56Å; V1346-A1420 VanDerWaalsContact O-CA 3.23Å; V1346-A1420 WeakPolarHBondContact O-CA 3.44Å; V1348-A1420 HydrophobicContact CG2-CB 4.09Å; P1394-A1420 HydrophobicContact CB-CB 3.83Å; P1394-A1420 HydrophobicContact CG-CB 4.48Å; S1396-A1420 WeakPolarHBondContact O-CB 3.12Å; G1398-A1420 PolarHBondContact N-O 3.31Å; G1398-A1420 WeakPolarHBondContact O-CB 3.08Å; G1398-A1420 PolarHBondContact O-N 2.92Å; Y1400-A1420 HydrophobicContact CD2-CB 3.78Å; Y1400-A1420 HydrophobicContact CE2-CB 3.38Å |
| 1421 | Y | 88.6 | Confident | 77.5 | Confident | 24 Ų | 24 | 40 Ų | 40 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155.8 | 178.9 | 75.4 | -94.6 | 0 | 0 | 0 | 111.9 | K1345 V1346 A1347 V1348 A1449 F1495 N1496 E1498 | K1345-Y1421 HydrophobicContact CB-CD1 4.11Å; K1345-Y1421 HydrophobicContact CB-CE1 4.12Å; V1346-Y1421 VanDerWaalsContact O-CD1 3.28Å; V1346-Y1421 WeakPolarHBondContact O-CD1 3.41Å; V1346-Y1421 PolarHBondContact O-N 2.86Å; A1347-Y1421 CarbonylContact C-O 3.22Å; A1347-Y1421 WeakPolarHBondContact CA-O 3.47Å; A1347-Y1421 HydrophobicContact CB-CE1 4.31Å; A1347-Y1421 HydrophobicContact CB-CE2 4.12Å; V1348-Y1421 WeakPolarHBondContact CG2-O 3.2Å; V1348-Y1421 PolarHBondContact N-O 3.14Å; Y1421-A1449 CarbonylContact C-O 3.48Å; Y1421-A1449 WeakPolarHBondContact CA-O 3.5Å; Y1421-A1449 VanDerWaalsContact CB-O 3.31Å; Y1421-A1449 WeakPolarHBondContact CB-O 3.27Å; Y1421-F1495 HydrophobicContact CD2-CD1 4.32Å; Y1421-F1495 HydrophobicContact CD2-CE1 4.31Å; Y1421-N1496 VanDerWaalsContact CD1-ND2 3.35Å; Y1421-N1496 WeakPolarHBondContact CD1-ND2 3.35Å; Y1421-N1496 HydrophobicContact CE1-CB 4.33Å; Y1421-N1496 HydrophobicContact CE2-CB 4.09Å; Y1421-N1496 VanDerWaalsContact CG-ND2 3.34Å; Y1421-E1498 PolarHBondContact OH-OE1 2.81Å |
| 1422 | D | 86.2 | Confident | 77.6 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -137.3 | 98.8 | 178.1 | -178.7 | -9.8 | 0 | 0 | 0 | 107.8 | V1348 V1397 G1424 Q1425 A1449 | V1348-D1422 HydrophobicContact CB-CB 4.25Å; V1348-D1422 HydrophobicContact CG2-CB 4.26Å; V1397-D1422 HydrophobicContact CG2-CB 3.29Å; D1422-G1424 PolarHBondContact O-N 2.87Å; D1422-G1424 WeakPolarHBondContact OD1-CA 3.03Å; D1422-G1424 PolarHBondContact OD1-N 2.85Å; D1422-Q1425 HydrophobicContact CB-CG 3.76Å; D1422-Q1425 VanDerWaalsContact CG-CG 3.49Å; D1422-Q1425 PolarHBondContact O-N 2.86Å; D1422-Q1425 PolarHBondContact OD1-N 2.93Å; D1422-Q1425 VanDerWaalsContact OD2-CG 3.24Å; D1422-Q1425 WeakPolarHBondContact OD2-CG 3.38Å; D1422-Q1425 PolarHBondContact OD2-NE2 2.94Å; D1422-A1449 PolarHBondContact N-O 2.89Å; D1422-A1449 WeakPolarHBondContact O-CA 3.21Å; D1422-A1449 WeakPolarHBondContact O-CB 3.38Å | ||
| 1423 | S | 83 | Confident | 78.1 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -56.7 | -29.6 | 175.3 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | Q1425 V1426 E1498 P1501 | S1423-Q1425 PolarHBondContact O-N 2.86Å; S1423-V1426 WeakPolarHBondContact O-CB 3.26Å; S1423-V1426 PolarHBondContact O-N 3.5Å; S1423-V1426 VanDerWaalsContact O-N 3.15Å; S1423-E1498 VanDerWaalsContact CB-OE2 3.23Å; S1423-E1498 WeakPolarHBondContact CB-OE2 3.49Å; S1423-E1498 PolarHBondContact OG-OE2 3.12Å; S1423-P1501 WeakPolarHBondContact O-CD 2.94Å |
| 1424 | G | 81.7 | Confident | 78.7 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -65.1 | -16.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1422 | D1422-G1424 PolarHBondContact O-N 2.87Å; D1422-G1424 WeakPolarHBondContact OD1-CA 3.03Å; D1422-G1424 PolarHBondContact OD1-N 2.85Å |
| 1425 | Q | 86.5 | Confident | 78.3 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -89.5 | -13.1 | 173.6 | -57.6 | -71.5 | -30.3 | 0 | 0 | 113.3 | D1422 S1423 K1427 K1448 A1449 | D1422-Q1425 HydrophobicContact CB-CG 3.76Å; D1422-Q1425 VanDerWaalsContact CG-CG 3.49Å; D1422-Q1425 PolarHBondContact O-N 2.86Å; D1422-Q1425 PolarHBondContact OD1-N 2.93Å; D1422-Q1425 VanDerWaalsContact OD2-CG 3.24Å; D1422-Q1425 WeakPolarHBondContact OD2-CG 3.38Å; D1422-Q1425 PolarHBondContact OD2-NE2 2.94Å; S1423-Q1425 PolarHBondContact O-N 2.86Å; Q1425-K1427 PolarHBondContact O-N 3Å; Q1425-K1448 HydrophobicContact CB-CB 3.85Å; Q1425-K1448 WeakPolarHBondContact CB-O 3.41Å; Q1425-K1448 HydrophobicContact CG-CB 4.28Å; Q1425-K1448 WeakPolarHBondContact CG-O 3.48Å; Q1425-A1449 HydrophobicContact CB-CB 4.27Å |
| 1426 | V | 84.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -68.4 | 130.4 | 173.3 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | S1423 I1444 A1446 A1449 M1454 F1495 V1500 | S1423-V1426 WeakPolarHBondContact O-CB 3.26Å; S1423-V1426 PolarHBondContact O-N 3.5Å; S1423-V1426 VanDerWaalsContact O-N 3.15Å; V1426-I1444 HydrophobicContact CG1-CG2 3.51Å; V1426-A1446 HydrophobicContact CG1-CB 4.44Å; V1426-A1446 HydrophobicContact CG2-CB 4.23Å; V1426-A1449 HydrophobicContact CB-CB 4.48Å; V1426-A1449 HydrophobicContact CG2-CB 3.34Å; V1426-M1454 HydrophobicContact CG1-SD 4.39Å; V1426-F1495 HydrophobicContact CG2-CB 4.13Å; V1426-F1495 HydrophobicContact CG2-CD1 4.04Å; V1426-F1495 HydrophobicContact CG2-CD2 4.18Å; V1426-F1495 HydrophobicContact CG2-CE1 4.46Å; V1426-F1495 HydrophobicContact CG2-CG 3.87Å; V1426-V1500 HydrophobicContact CB-CB 3.94Å; V1426-V1500 HydrophobicContact CB-CG1 3.73Å; V1426-V1500 HydrophobicContact CG1-CB 4.06Å; V1426-V1500 HydrophobicContact CG1-CG1 3.9Å; V1426-V1500 HydrophobicContact CG1-CG2 4.23Å; V1426-V1500 HydrophobicContact CG2-CG1 3.88Å | ||
| 1427 | K | 82.3 | Confident | 78.2 | Confident | 131 Ų | 131 | 46.3 Ų | 46.3 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.8 | 175.2 | -65.7 | -174.4 | 176.4 | -172 | 0 | 111.1 | Q1425 I1444 D1445 | Q1425-K1427 PolarHBondContact O-N 3Å; K1427-I1444 WeakPolarHBondContact O-CA 3.41Å; K1427-D1445 HydrophobicContact CB-CB 4.39Å; K1427-D1445 PolarHBondContact N-O 2.87Å; K1427-D1445 PolarHBondContact O-N 2.84Å |
| 1428 | L | 85.5 | Confident | 78.2 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.7 | 153.5 | -88.7 | 69.1 | 0 | 0 | 0 | 108.7 | I1444 V1493 V1500 M1505 | L1428-I1444 HydrophobicContact CD1-CG1 4.32Å; L1428-I1444 HydrophobicContact CD1-CG2 4.44Å; L1428-I1444 HydrophobicContact CG-CG1 4.4Å; L1428-V1493 HydrophobicContact CD1-CB 4.09Å; L1428-V1493 HydrophobicContact CD1-CG1 4.28Å; L1428-V1493 HydrophobicContact CD1-CG2 4.09Å; L1428-V1493 HydrophobicContact CD2-CG2 4.15Å; L1428-V1500 HydrophobicContact CD1-CG2 3.51Å; L1428-M1505 HydrophobicContact CD2-CB 3.7Å; L1428-M1505 HydrophobicContact CD2-CE 4.5Å; L1428-M1505 HydrophobicContact CD2-SD 4.29Å |
| 1429 | L | 81.5 | Confident | 78.2 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.335 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 148.6 | 163 | -65.4 | 175.9 | 0 | 0 | 0 | 109.4 | V1443 | L1429-V1443 HydrophobicContact CB-CB 4.32Å; L1429-V1443 WeakPolarHBondContact CB-O 3.32Å; L1429-V1443 HydrophobicContact CD1-CB 4.09Å; L1429-V1443 HydrophobicContact CD1-CG1 4.19Å; L1429-V1443 PolarHBondContact N-O 3.04Å |
| 1430 | P | 73.4 | Confident | 78.3 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 148.4 | -178 | -26.1 | 34.8 | 0 | 0 | 0 | 113.5 | ||
| 1431 | A | 77.4 | Confident | 78.3 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 142.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1440 S1441 F1442 M1505 V1507 | A1431-V1440 HydrophobicContact CB-CG1 3.96Å; A1431-S1441 CarbonylContact C-O 3.58Å; A1431-S1441 WeakPolarHBondContact CA-O 3.48Å; A1431-F1442 HydrophobicContact CB-CB 4.31Å; A1431-M1505 HydrophobicContact CB-CE 4.23Å; A1431-M1505 HydrophobicContact CB-SD 4.42Å; A1431-V1507 HydrophobicContact CB-CG1 4.46Å; A1431-V1507 HydrophobicContact CB-CG2 3.75Å |
| 1432 | V | 74 | Confident | 78.3 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 61% | 0.612 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.6 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | S1441 | V1432-S1441 PolarHBondContact N-O 2.89Å; V1432-S1441 PolarHBondContact O-N 2.8Å; V1432-S1441 PolarHBondContact O-OG 3.08Å |
| 1433 | G | 68.6 | Low | 78.3 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | trans | 85 | 134.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1434 | N | 72.2 | Confident | 78.6 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -151.6 | 15.5 | 179.5 | 70.9 | -38 | 0 | 0 | 0 | 112.6 | V1509 V1510 | N1434-V1509 CarbonylContact O-C 3.59Å; N1434-V1509 VanDerWaalsContact O-CA 3.27Å; N1434-V1509 WeakPolarHBondContact O-CA 3.34Å; N1434-V1510 WeakPolarHBondContact O-CG2 3.16Å; N1434-V1510 PolarHBondContact O-N 2.83Å | ||
| 1435 | T | 63 | Low | 78.8 | Confident | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 142.2 | -174.5 | 30.8 | 0 | 0 | 0 | 0 | 111.5 | G1437 E1438 V1510 T1512 | T1435-G1437 PolarHBondContact O-N 2.85Å; T1435-E1438 WeakPolarHBondContact O-CB 3.45Å; T1435-E1438 PolarHBondContact O-N 2.8Å; T1435-E1438 VanDerWaalsContact O-N 3.08Å; T1435-E1438 WeakPolarHBondContact OG1-CB 3.2Å; T1435-E1438 WeakPolarHBondContact OG1-CG 3.35Å; T1435-V1510 CarbonylContact C-O 3.55Å; T1435-V1510 WeakPolarHBondContact CA-O 3.48Å; T1435-V1510 HydrophobicContact CG2-CG2 4.09Å; T1435-T1512 HydrophobicContact CG2-CG2 3.52Å |
| 1436 | L | 72.5 | Confident | 78.7 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 129.8 | -177.8 | -168.6 | 149.6 | 0 | 0 | 0 | 110.9 | E1438 A1486 V1509 V1510 | L1436-E1438 PolarHBondContact O-N 2.98Å; L1436-A1486 HydrophobicContact CD1-CB 3.81Å; L1436-V1509 HydrophobicContact CB-CG1 4.12Å; L1436-V1510 PolarHBondContact N-O 3.4Å |
| 1437 | G | 66.5 | Low | 78.4 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -16.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1435 T1482 P1483 | T1435-G1437 PolarHBondContact O-N 2.85Å; G1437-T1482 VanDerWaalsContact O-CG2 3.25Å; G1437-T1482 WeakPolarHBondContact O-CG2 3.47Å; G1437-P1483 PolarHBondContact N-O 3.34Å |
| 1438 | E | 73.7 | Confident | 78.4 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -86.5 | 137 | 172.2 | -77.5 | -75.6 | 146.1 | 0 | 0 | 110.4 | T1435 L1436 V1440 P1483 | T1435-E1438 WeakPolarHBondContact O-CB 3.45Å; T1435-E1438 PolarHBondContact O-N 2.8Å; T1435-E1438 VanDerWaalsContact O-N 3.08Å; T1435-E1438 WeakPolarHBondContact OG1-CB 3.2Å; T1435-E1438 WeakPolarHBondContact OG1-CG 3.35Å; L1436-E1438 PolarHBondContact O-N 2.98Å; E1438-V1440 PolarHBondContact O-N 3.48Å; E1438-V1440 VanDerWaalsContact O-N 3.12Å; E1438-P1483 WeakPolarHBondContact O-CD 3.48Å |
| 1439 | P | 75 | Confident | 78.2 | Confident | 68 Ų | 68 | 48 Ų | 48 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | trans | -68 | 112 | -179.3 | 27.2 | -33.5 | 0 | 0 | 0 | 111.7 | ||||
| 1440 | V | 83.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 134.9 | 167.5 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | A1431 E1438 M1480 F1481 P1483 V1507 | A1431-V1440 HydrophobicContact CB-CG1 3.96Å; E1438-V1440 PolarHBondContact O-N 3.48Å; E1438-V1440 VanDerWaalsContact O-N 3.12Å; V1440-M1480 CarbonylContact O-C 3.57Å; V1440-M1480 WeakPolarHBondContact O-CA 3.48Å; V1440-F1481 HydrophobicContact CB-CD1 4.12Å; V1440-F1481 HydrophobicContact CB-CD2 4.34Å; V1440-F1481 HydrophobicContact CB-CE1 3.81Å; V1440-F1481 HydrophobicContact CB-CE2 4.03Å; V1440-F1481 HydrophobicContact CB-CG 4.39Å; V1440-F1481 HydrophobicContact CB-CZ 3.77Å; V1440-F1481 WeakPolarHBondContact CB-O 3.26Å; V1440-F1481 HydrophobicContact CG1-CD1 4.18Å; V1440-F1481 HydrophobicContact CG1-CE1 3.5Å; V1440-F1481 VanDerWaalsContact CG1-CE1 3.5Å; V1440-F1481 HydrophobicContact CG1-CE2 4.39Å; V1440-F1481 HydrophobicContact CG1-CZ 3.62Å; V1440-F1481 HydrophobicContact CG2-CE2 4.03Å; V1440-F1481 HydrophobicContact CG2-CZ 4.03Å; V1440-F1481 PolarHBondContact N-O 2.93Å; V1440-F1481 PolarHBondContact O-N 2.87Å; V1440-P1483 HydrophobicContact CG2-CG 3.82Å; V1440-V1507 HydrophobicContact CG1-CG1 4.08Å; V1440-V1507 HydrophobicContact CG1-CG2 4.49Å; V1440-V1507 HydrophobicContact CG2-CG1 4.39Å |
| 1441 | S | 85.6 | Confident | 77.7 | Confident | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.9 | 173.8 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | A1431 V1432 V1479 | A1431-S1441 CarbonylContact C-O 3.58Å; A1431-S1441 WeakPolarHBondContact CA-O 3.48Å; V1432-S1441 PolarHBondContact N-O 2.89Å; V1432-S1441 PolarHBondContact O-N 2.8Å; V1432-S1441 PolarHBondContact O-OG 3.08Å; S1441-V1479 CarbonylContact C-O 3.39Å; S1441-V1479 VanDerWaalsContact CA-O 3.25Å; S1441-V1479 WeakPolarHBondContact CA-O 3.35Å |
| 1442 | F | 88.4 | Confident | 77.2 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 162.8 | 172.9 | 62.5 | -86 | 0 | 0 | 0 | 109.8 | A1431 I1444 I1456 K1478 V1479 F1481 V1491 M1505 | A1431-F1442 HydrophobicContact CB-CB 4.31Å; F1442-I1444 HydrophobicContact CD2-CG1 4.22Å; F1442-I1444 HydrophobicContact CE2-CD1 4.1Å; F1442-I1444 HydrophobicContact CE2-CG1 4.01Å; F1442-I1456 HydrophobicContact CZ-CG2 4.12Å; F1442-K1478 CarbonylContact O-C 3.56Å; F1442-K1478 WeakPolarHBondContact O-CA 3Å; F1442-V1479 HydrophobicContact CD1-CB 4.06Å; F1442-V1479 HydrophobicContact CD1-CG1 4.45Å; F1442-V1479 HydrophobicContact CD2-CB 4.12Å; F1442-V1479 HydrophobicContact CD2-CG2 4.27Å; F1442-V1479 HydrophobicContact CE1-CB 3.61Å; F1442-V1479 HydrophobicContact CE1-CG1 3.6Å; F1442-V1479 HydrophobicContact CE1-CG2 4.49Å; F1442-V1479 HydrophobicContact CE2-CB 3.67Å; F1442-V1479 HydrophobicContact CE2-CG1 4.21Å; F1442-V1479 HydrophobicContact CE2-CG2 3.68Å; F1442-V1479 HydrophobicContact CG-CB 4.29Å; F1442-V1479 HydrophobicContact CZ-CB 3.39Å; F1442-V1479 HydrophobicContact CZ-CG1 3.44Å; F1442-V1479 VanDerWaalsContact CZ-CG1 3.44Å; F1442-V1479 HydrophobicContact CZ-CG2 3.8Å; F1442-V1479 PolarHBondContact N-O 2.75Å; F1442-V1479 PolarHBondContact O-N 3.1Å; F1442-F1481 HydrophobicContact CD1-CE1 4.43Å; F1442-F1481 HydrophobicContact CE1-CD1 4.23Å; F1442-F1481 HydrophobicContact CE1-CE1 4.21Å; F1442-V1491 HydrophobicContact CE1-CG1 3.82Å; F1442-V1491 HydrophobicContact CE1-CG2 4.3Å; F1442-V1491 HydrophobicContact CE2-CG1 3.77Å; F1442-V1491 HydrophobicContact CZ-CG1 3.27Å; F1442-M1505 HydrophobicContact CB-CE 3.9Å; F1442-M1505 HydrophobicContact CD1-CE 3.77Å; F1442-M1505 HydrophobicContact CD2-CE 3.93Å; F1442-M1505 HydrophobicContact CE1-CE 4.21Å; F1442-M1505 HydrophobicContact CE2-CE 4.36Å; F1442-M1505 HydrophobicContact CG-CE 3.62Å; F1442-M1505 HydrophobicContact CZ-CE 4.49Å |
| 1443 | V | 85.5 | Confident | 77.1 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.4 | -177.9 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | L1429 F1477 K1478 | L1429-V1443 HydrophobicContact CB-CB 4.32Å; L1429-V1443 WeakPolarHBondContact CB-O 3.32Å; L1429-V1443 HydrophobicContact CD1-CB 4.09Å; L1429-V1443 HydrophobicContact CD1-CG1 4.19Å; L1429-V1443 PolarHBondContact N-O 3.04Å; V1443-F1477 WeakPolarHBondContact CA-O 3.46Å; V1443-K1478 HydrophobicContact CG2-CB 4.1Å; V1443-K1478 HydrophobicContact CG2-CG 4.11Å |
| 1444 | I | 89.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.1 | 170 | -52.1 | 164 | 0 | 0 | 0 | 107.6 | V1426 K1427 L1428 F1442 M1454 I1456 R1476 F1477 V1479 V1493 | V1426-I1444 HydrophobicContact CG1-CG2 3.51Å; K1427-I1444 WeakPolarHBondContact O-CA 3.41Å; L1428-I1444 HydrophobicContact CD1-CG1 4.32Å; L1428-I1444 HydrophobicContact CD1-CG2 4.44Å; L1428-I1444 HydrophobicContact CG-CG1 4.4Å; F1442-I1444 HydrophobicContact CD2-CG1 4.22Å; F1442-I1444 HydrophobicContact CE2-CD1 4.1Å; F1442-I1444 HydrophobicContact CE2-CG1 4.01Å; I1444-M1454 HydrophobicContact CB-CE 4.29Å; I1444-M1454 HydrophobicContact CD1-SD 4.49Å; I1444-M1454 HydrophobicContact CG2-CE 3.72Å; I1444-M1454 HydrophobicContact CG2-SD 3.66Å; I1444-I1456 HydrophobicContact CD1-CD1 3.53Å; I1444-I1456 HydrophobicContact CD1-CG1 3.78Å; I1444-R1476 CarbonylContact O-C 3.6Å; I1444-R1476 WeakPolarHBondContact O-CA 3.48Å; I1444-F1477 PolarHBondContact N-O 2.86Å; I1444-F1477 PolarHBondContact O-N 2.8Å; I1444-V1479 HydrophobicContact CD1-CG2 3.8Å; I1444-V1479 HydrophobicContact CG1-CG2 4.33Å; I1444-V1493 HydrophobicContact CD1-CG1 3.97Å; I1444-V1493 HydrophobicContact CD1-CG2 3.99Å |
| 1445 | D | 85.2 | Confident | 77.2 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 99.5 | 178.6 | -166.7 | -21 | 0 | 0 | 0 | 109.2 | K1427 A1447 R1476 | K1427-D1445 HydrophobicContact CB-CB 4.39Å; K1427-D1445 PolarHBondContact N-O 2.87Å; K1427-D1445 PolarHBondContact O-N 2.84Å; D1445-A1447 VanDerWaalsContact OD1-CB 3.23Å; D1445-A1447 WeakPolarHBondContact OD1-CB 3.33Å; D1445-A1447 PolarHBondContact OD1-N 2.83Å; D1445-R1476 HydrophobicContact CB-CG 4.18Å; D1445-R1476 IonicContact OD1-NE 2.8Å; D1445-R1476 IonicContact OD2-CZ 3.45Å; D1445-R1476 IonicContact OD2-NE 2.75Å; D1445-R1476 PolarHBondContact OD2-NE 2.85Å; D1445-R1476 IonicContact OD2-NH2 3.21Å; D1445-R1476 PolarHBondContact OD2-NH2 2.9Å |
| 1446 | A | 85 | Confident | 78.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | trans | -101.9 | 12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1426 K1448 A1449 M1454 A1475 F1495 | V1426-A1446 HydrophobicContact CG1-CB 4.44Å; V1426-A1446 HydrophobicContact CG2-CB 4.23Å; A1446-K1448 PolarHBondContact O-N 2.98Å; A1446-A1449 HydrophobicContact CB-CB 4.33Å; A1446-A1449 PolarHBondContact O-N 2.95Å; A1446-M1454 HydrophobicContact CB-CE 4.05Å; A1446-A1475 HydrophobicContact CB-CB 4.46Å; A1446-A1475 PolarHBondContact N-O 3.38Å; A1446-F1495 HydrophobicContact CB-CE2 4.35Å | ||
| 1447 | A | 77.5 | Confident | 78.3 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -19.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | D1445 S1474 | D1445-A1447 VanDerWaalsContact OD1-CB 3.23Å; D1445-A1447 WeakPolarHBondContact OD1-CB 3.33Å; D1445-A1447 PolarHBondContact OD1-N 2.83Å; A1447-S1474 VanDerWaalsContact CB-O 3.22Å; A1447-S1474 WeakPolarHBondContact CB-O 3.38Å |
| 1448 | K | 82.8 | Confident | 78.9 | Confident | 151 Ų | 151 | 43.4 Ų | 43.4 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -1.1 | 179.6 | -65 | -169.8 | 179.6 | -168.4 | 0 | 114.5 | Q1425 A1446 | Q1425-K1448 HydrophobicContact CB-CB 3.85Å; Q1425-K1448 WeakPolarHBondContact CB-O 3.41Å; Q1425-K1448 HydrophobicContact CG-CB 4.28Å; Q1425-K1448 WeakPolarHBondContact CG-O 3.48Å; A1446-K1448 PolarHBondContact O-N 2.98Å |
| 1449 | A | 80.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1421 D1422 Q1425 V1426 A1446 F1495 | Y1421-A1449 CarbonylContact C-O 3.48Å; Y1421-A1449 WeakPolarHBondContact CA-O 3.5Å; Y1421-A1449 VanDerWaalsContact CB-O 3.31Å; Y1421-A1449 WeakPolarHBondContact CB-O 3.27Å; D1422-A1449 PolarHBondContact N-O 2.89Å; D1422-A1449 WeakPolarHBondContact O-CA 3.21Å; D1422-A1449 WeakPolarHBondContact O-CB 3.38Å; Q1425-A1449 HydrophobicContact CB-CB 4.27Å; V1426-A1449 HydrophobicContact CB-CB 4.48Å; V1426-A1449 HydrophobicContact CG2-CB 3.34Å; A1446-A1449 HydrophobicContact CB-CB 4.33Å; A1446-A1449 PolarHBondContact O-N 2.95Å; A1449-F1495 HydrophobicContact CB-CD1 4.34Å; A1449-F1495 HydrophobicContact CB-CE1 3.71Å; A1449-F1495 HydrophobicContact CB-CZ 3.85Å |
| 1450 | G | 73.3 | Confident | 78.9 | Confident | 31 Ų | 31 | 36 Ų | 36 | 32% | 0.32 | 20% | 0.202 | S | C | . | . | trans | 88.7 | -157.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1451 | T | 71.6 | Confident | 78.1 | Confident | 34 Ų | 34 | 41 Ų | 41 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -90.7 | 122.6 | 179.9 | 54 | 0 | 0 | 0 | 0 | 111.2 | L1292 K1419 N1496 | L1292-T1451 VanDerWaalsContact O-CG2 3.3Å; L1292-T1451 WeakPolarHBondContact O-CG2 3.35Å; K1419-T1451 VanDerWaalsContact CB-OG1 3.28Å; K1419-T1451 WeakPolarHBondContact CB-OG1 3.1Å; K1419-T1451 WeakPolarHBondContact CD-OG1 3.4Å; T1451-N1496 PolarHBondContact O-ND2 2.6Å |
| 1452 | G | 67.2 | Low | 76.5 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | trans | -157.2 | 164.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1496 | G1452-N1496 WeakPolarHBondContact CA-ND2 3.17Å; G1452-N1496 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 1453 | N | 71.1 | Confident | 75.3 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | trans | -80.6 | 147.9 | 167.8 | -62.1 | 20.2 | 0 | 0 | 0 | 107.7 | K1345 F1495 N1496 | K1345-N1453 PolarHBondContact NZ-OD1 3.39Å; N1453-F1495 CarbonylContact O-C 3.58Å; N1453-F1495 VanDerWaalsContact O-CA 3.32Å; N1453-F1495 WeakPolarHBondContact O-CA 3.41Å; N1453-N1496 PolarHBondContact N-OD1 2.93Å; N1453-N1496 PolarHBondContact O-N 2.73Å | ||
| 1454 | M | 73 | Confident | 74.1 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.8 | 178.7 | -167.4 | 134 | 63.3 | 0 | 0 | 110.4 | V1426 I1444 A1446 I1456 F1477 V1493 K1494 F1495 | V1426-M1454 HydrophobicContact CG1-SD 4.39Å; I1444-M1454 HydrophobicContact CB-CE 4.29Å; I1444-M1454 HydrophobicContact CD1-SD 4.49Å; I1444-M1454 HydrophobicContact CG2-CE 3.72Å; I1444-M1454 HydrophobicContact CG2-SD 3.66Å; A1446-M1454 HydrophobicContact CB-CE 4.05Å; M1454-I1456 HydrophobicContact CG-CD1 4.42Å; M1454-I1456 HydrophobicContact CG-CG1 4.23Å; M1454-F1477 HydrophobicContact CE-CD2 3.26Å; M1454-F1477 HydrophobicContact CE-CE2 3.45Å; M1454-F1477 VanDerWaalsContact CE-CE2 3.45Å; M1454-F1477 HydrophobicContact CE-CG 4.05Å; M1454-F1477 HydrophobicContact CE-CZ 4.36Å; M1454-V1493 HydrophobicContact CG-CG1 4.13Å; M1454-V1493 HydrophobicContact SD-CG1 4.22Å; M1454-K1494 WeakPolarHBondContact CA-O 3.04Å; M1454-F1495 HydrophobicContact CB-CD2 4.24Å; M1454-F1495 HydrophobicContact CG-CD2 4.47Å; M1454-F1495 HydrophobicContact SD-CD2 3.86Å |
| 1455 | E | 70.9 | Confident | 73.4 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.3 | 179.8 | -69.9 | 144 | -138.6 | 0 | 0 | 108.9 | F1457 V1493 K1494 | E1455-F1457 HydrophobicContact CB-CE2 4.44Å; E1455-V1493 VanDerWaalsContact O-CA 3.3Å; E1455-V1493 WeakPolarHBondContact O-CA 3.35Å; E1455-K1494 HydrophobicContact CB-CB 4.25Å; E1455-K1494 PolarHBondContact N-O 3.21Å; E1455-K1494 PolarHBondContact O-N 2.99Å |
| 1456 | I | 81.1 | Confident | 72.6 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 102.3 | -170 | -54.4 | 163.3 | 0 | 0 | 0 | 108.7 | F1442 I1444 M1454 N1467 V1469 V1479 V1493 | F1442-I1456 HydrophobicContact CZ-CG2 4.12Å; I1444-I1456 HydrophobicContact CD1-CD1 3.53Å; I1444-I1456 HydrophobicContact CD1-CG1 3.78Å; M1454-I1456 HydrophobicContact CG-CD1 4.42Å; M1454-I1456 HydrophobicContact CG-CG1 4.23Å; I1456-N1467 PolarHBondContact O-ND2 2.77Å; I1456-V1469 HydrophobicContact CD1-CG1 4.23Å; I1456-V1469 HydrophobicContact CD1-CG2 3.87Å; I1456-V1479 HydrophobicContact CD1-CG2 3.89Å; I1456-V1479 HydrophobicContact CG2-CG1 4.1Å; I1456-V1479 HydrophobicContact CG2-CG2 4.26Å; I1456-V1493 HydrophobicContact CG1-CG1 4.41Å; I1456-V1493 HydrophobicContact CG1-CG2 4.43Å; I1456-V1493 HydrophobicContact CG2-CG2 4.25Å |
| 1457 | F | 76.6 | Confident | 72.3 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139 | 173.5 | -69.9 | -96.7 | 0 | 0 | 0 | 110 | E1455 V1491 S1492 | E1455-F1457 HydrophobicContact CB-CE2 4.44Å; F1457-V1491 CarbonylContact O-C 3.53Å; F1457-V1491 WeakPolarHBondContact O-CA 3.19Å; F1457-S1492 PolarHBondContact N-O 3.12Å; F1457-S1492 PolarHBondContact O-N 3.22Å |
| 1458 | V | 79.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.2 | 166.2 | -176 | 0 | 0 | 0 | 0 | 106.7 | N1464 V1465 N1467 F1481 H1489 V1490 V1491 | V1458-N1464 CarbonylContact O-C 3.52Å; V1458-N1464 PolarHBondContact O-OD1 2.87Å; V1458-V1465 HydrophobicContact CB-CB 4.22Å; V1458-V1465 HydrophobicContact CG1-CB 3.96Å; V1458-V1465 HydrophobicContact CG1-CG1 4.3Å; V1458-V1465 PolarHBondContact O-N 2.84Å; V1458-N1467 HydrophobicContact CG2-CB 3.94Å; V1458-F1481 HydrophobicContact CG1-CD1 4.02Å; V1458-F1481 HydrophobicContact CG1-CD2 4.15Å; V1458-F1481 HydrophobicContact CG1-CE1 4.02Å; V1458-F1481 HydrophobicContact CG1-CE2 4.16Å; V1458-F1481 HydrophobicContact CG1-CG 4.08Å; V1458-F1481 HydrophobicContact CG1-CZ 4.09Å; V1458-F1481 HydrophobicContact CG2-CD1 4.14Å; V1458-H1489 HydrophobicContact CG1-CB 4.45Å; V1458-V1490 CarbonylContact C-O 3.56Å; V1458-V1490 VanDerWaalsContact CA-O 3.29Å; V1458-V1490 WeakPolarHBondContact CA-O 3.37Å; V1458-V1491 HydrophobicContact CG1-CG2 4.15Å; V1458-V1491 HydrophobicContact CG2-CG1 4.39Å; V1458-V1491 HydrophobicContact CG2-CG2 4.15Å |
| 1459 | S | 71.9 | Confident | 71.8 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156.5 | -178.2 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | R1463 H1489 V1490 | S1459-R1463 CarbonylContact C-O 3.46Å; S1459-R1463 WeakPolarHBondContact CA-O 3.46Å; S1459-R1463 WeakPolarHBondContact CB-O 3.36Å; S1459-H1489 CarbonylContact O-C 3.55Å; S1459-H1489 VanDerWaalsContact O-CA 3.31Å; S1459-H1489 WeakPolarHBondContact O-CA 3.22Å; S1459-V1490 PolarHBondContact N-O 3.23Å; S1459-V1490 PolarHBondContact O-N 2.85Å |
| 1460 | V | 76.5 | Confident | 71.3 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 124.2 | 172.2 | 69.8 | 0 | 0 | 0 | 0 | 109.2 | G1462 R1463 V1465 K1487 | V1460-G1462 PolarHBondContact O-N 2.83Å; V1460-R1463 PolarHBondContact N-O 2.67Å; V1460-R1463 VanDerWaalsContact O-CB 3.31Å; V1460-R1463 WeakPolarHBondContact O-CB 3.35Å; V1460-R1463 PolarHBondContact O-N 2.73Å; V1460-V1465 HydrophobicContact CB-CG2 4.06Å; V1460-V1465 HydrophobicContact CG1-CG2 3.58Å; V1460-K1487 HydrophobicContact CG2-CB 3.63Å; V1460-K1487 HydrophobicContact CG2-CD 3.87Å; V1460-K1487 HydrophobicContact CG2-CG 4.42Å |
| 1461 | D | 67 | Low | 70.8 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 57% | 0.572 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 41.7 | -167.4 | -46.1 | -42.5 | 0 | 0 | 0 | 113.6 | R1463 K1487 | D1461-R1463 PolarHBondContact O-N 2.93Å; D1461-R1463 VanDerWaalsContact O-N 3.14Å; D1461-R1463 IonicContact OD2-CZ 3.96Å; D1461-R1463 IonicContact OD2-NH2 2.61Å; D1461-R1463 PolarHBondContact OD2-NH2 3.21Å; D1461-K1487 IonicContact OD1-NZ 3.74Å; D1461-K1487 IonicContact OD2-NZ 3.01Å; D1461-K1487 PolarHBondContact OD2-NZ 3.36Å |
| 1462 | G | 52.2 | Low | 70.4 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 4.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1460 | V1460-G1462 PolarHBondContact O-N 2.83Š|
| 1463 | R | 62.9 | Low | 69.7 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.9 | 173.6 | -62.1 | 172.5 | -78.8 | 152.8 | -1.7 | 109.3 | S1459 V1460 D1461 V1465 E1485 | S1459-R1463 CarbonylContact C-O 3.46Å; S1459-R1463 WeakPolarHBondContact CA-O 3.46Å; S1459-R1463 WeakPolarHBondContact CB-O 3.36Å; V1460-R1463 PolarHBondContact N-O 2.67Å; V1460-R1463 VanDerWaalsContact O-CB 3.31Å; V1460-R1463 WeakPolarHBondContact O-CB 3.35Å; V1460-R1463 PolarHBondContact O-N 2.73Å; D1461-R1463 PolarHBondContact O-N 2.93Å; D1461-R1463 VanDerWaalsContact O-N 3.14Å; D1461-R1463 IonicContact OD2-CZ 3.96Å; D1461-R1463 IonicContact OD2-NH2 2.61Å; D1461-R1463 PolarHBondContact OD2-NH2 3.21Å; R1463-V1465 PolarHBondContact O-N 2.83Å; R1463-E1485 IonicContact CZ-OE1 3.86Å; R1463-E1485 VanDerWaalsContact CZ-OE1 3.22Å; R1463-E1485 IonicContact CZ-OE2 3.67Å; R1463-E1485 IonicContact NH1-OE1 3.76Å; R1463-E1485 PolarHBondContact NH1-OE1 3.12Å; R1463-E1485 VanDerWaalsContact NH2-CD 3.28Å; R1463-E1485 IonicContact NH2-OE1 2.83Å; R1463-E1485 PolarHBondContact NH2-OE1 2.89Å; R1463-E1485 IonicContact NH2-OE2 3.51Å; R1463-E1485 PolarHBondContact NH2-OE2 2.78Å |
| 1464 | N | 61.5 | Low | 69.6 | Low | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.6 | 178.1 | -137 | 10.9 | 0 | 0 | 0 | 110.2 | V1458 | V1458-N1464 CarbonylContact O-C 3.52Å; V1458-N1464 PolarHBondContact O-OD1 2.87Å |
| 1465 | V | 73.2 | Confident | 69.4 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | trans | -106.4 | 125.8 | -178.4 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | V1458 V1460 R1463 N1467 F1481 | V1458-V1465 HydrophobicContact CB-CB 4.22Å; V1458-V1465 HydrophobicContact CG1-CB 3.96Å; V1458-V1465 HydrophobicContact CG1-CG1 4.3Å; V1458-V1465 PolarHBondContact O-N 2.84Å; V1460-V1465 HydrophobicContact CB-CG2 4.06Å; V1460-V1465 HydrophobicContact CG1-CG2 3.58Å; R1463-V1465 PolarHBondContact O-N 2.83Å; V1465-N1467 PolarHBondContact O-N 3.01Å; V1465-F1481 HydrophobicContact CG1-CB 4.44Å; V1465-F1481 HydrophobicContact CG1-CD2 4.14Å | ||
| 1466 | P | 70.2 | Confident | 69.7 | Low | 118 Ų | 118 | 66.7 Ų | 66.7 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | trans | -56.7 | 125.1 | 179.5 | -26.6 | 35.3 | 0 | 0 | 0 | 112.3 | F1481 | P1466-F1481 WeakPolarHBondContact O-CB 3.5Š| ||
| 1467 | N | 78.7 | Confident | 69.7 | Low | 58 Ų | 58 | 68.3 Ų | 68.3 | 31% | 0.31 | 39% | 0.39 | S | S | . | . | trans | -118.3 | 159.6 | 175.8 | 62.4 | -0.1 | 0 | 0 | 0 | 110.7 | I1456 V1458 V1465 V1479 M1480 F1481 | I1456-N1467 PolarHBondContact O-ND2 2.77Å; V1458-N1467 HydrophobicContact CG2-CB 3.94Å; V1465-N1467 PolarHBondContact O-N 3.01Å; N1467-V1479 HydrophobicContact CB-CG1 4.13Å; N1467-M1480 CarbonylContact C-O 3.59Å; N1467-M1480 WeakPolarHBondContact CA-O 3.22Å; N1467-F1481 HydrophobicContact CB-CB 4.37Å | ||
| 1468 | Q | 72.8 | Confident | 69.9 | Low | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.7 | 179.4 | -160.8 | 177.5 | 43.5 | 0 | 0 | 109 | V1479 M1480 | Q1468-V1479 CarbonylContact O-C 3.28Å; Q1468-V1479 WeakPolarHBondContact O-CA 3.42Å; Q1468-M1480 PolarHBondContact N-O 3.07Å; Q1468-M1480 PolarHBondContact O-N 3.36Å |
| 1469 | V | 76.3 | Confident | 70.3 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122 | -175.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | I1456 F1477 V1479 | I1456-V1469 HydrophobicContact CD1-CG1 4.23Å; I1456-V1469 HydrophobicContact CD1-CG2 3.87Å; V1469-F1477 HydrophobicContact CG1-CB 4.14Å; V1469-F1477 HydrophobicContact CG1-CD1 4.22Å; V1469-V1479 HydrophobicContact CG2-CG1 4.36Å; V1469-V1479 HydrophobicContact CG2-CG2 4.36Å |
| 1470 | Q | 69.2 | Low | 70.9 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.5 | -179.3 | -175.4 | 175.1 | 43.8 | 0 | 0 | 109.4 | E1472 F1477 K1478 | Q1470-E1472 PolarHBondContact O-N 3.43Å; Q1470-F1477 CarbonylContact O-C 3.55Å; Q1470-F1477 WeakPolarHBondContact O-CA 3.34Å; Q1470-K1478 PolarHBondContact N-O 2.64Å; Q1470-K1478 PolarHBondContact O-N 3.36Å |
| 1471 | A | 62.7 | Low | 71.5 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1477 | A1471-F1477 HydrophobicContact CB-CD1 4.29Å; A1471-F1477 HydrophobicContact CB-CE1 4.42Å |
| 1472 | E | 64.6 | Low | 72.3 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -1 | 175 | -65.6 | -165.7 | 148.5 | 0 | 0 | 112.6 | Q1470 R1476 K1478 | Q1470-E1472 PolarHBondContact O-N 3.43Å; E1472-R1476 HydrophobicContact CB-CB 4.2Å; E1472-R1476 PolarHBondContact N-O 2.63Å; E1472-K1478 HydrophobicContact CG-CB 3.94Å; E1472-K1478 WeakPolarHBondContact OE1-CD 3.46Å |
| 1473 | G | 52.1 | Low | 73.4 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.8 | 170.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1475 R1476 | G1473-A1475 PolarHBondContact O-N 3.09Å; G1473-A1475 VanDerWaalsContact O-N 3.08Å; G1473-R1476 WeakPolarHBondContact O-CB 3.14Å; G1473-R1476 PolarHBondContact O-N 2.97Å |
| 1474 | S | 68.5 | Low | 74.2 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.2 | -178.2 | -53 | 0 | 0 | 0 | 0 | 115.2 | A1447 R1476 | A1447-S1474 VanDerWaalsContact CB-O 3.22Å; A1447-S1474 WeakPolarHBondContact CB-O 3.38Å; S1474-R1476 PolarHBondContact O-N 3.44Å |
| 1475 | A | 69.3 | Low | 74.8 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1446 G1473 F1477 | A1446-A1475 HydrophobicContact CB-CB 4.46Å; A1446-A1475 PolarHBondContact N-O 3.38Å; G1473-A1475 PolarHBondContact O-N 3.09Å; G1473-A1475 VanDerWaalsContact O-N 3.08Å; A1475-F1477 HydrophobicContact CB-CE2 4.27Å; A1475-F1477 WeakPolarHBondContact O-CD2 3.4Å; A1475-F1477 VanDerWaalsContact O-CE2 3.29Å; A1475-F1477 WeakPolarHBondContact O-CE2 3.32Å |
| 1476 | R | 76.3 | Confident | 74.7 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 33% | 0.328 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 139.2 | 161.1 | -72.4 | 177.2 | 146.8 | -127.6 | -11.1 | 111.5 | I1444 D1445 E1472 G1473 S1474 | I1444-R1476 CarbonylContact O-C 3.6Å; I1444-R1476 WeakPolarHBondContact O-CA 3.48Å; D1445-R1476 HydrophobicContact CB-CG 4.18Å; D1445-R1476 IonicContact OD1-NE 2.8Å; D1445-R1476 IonicContact OD2-CZ 3.45Å; D1445-R1476 IonicContact OD2-NE 2.75Å; D1445-R1476 PolarHBondContact OD2-NE 2.85Å; D1445-R1476 IonicContact OD2-NH2 3.21Å; D1445-R1476 PolarHBondContact OD2-NH2 2.9Å; E1472-R1476 HydrophobicContact CB-CB 4.2Å; E1472-R1476 PolarHBondContact N-O 2.63Å; G1473-R1476 WeakPolarHBondContact O-CB 3.14Å; G1473-R1476 PolarHBondContact O-N 2.97Å; S1474-R1476 PolarHBondContact O-N 3.44Å |
| 1477 | F | 81.3 | Confident | 74.7 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 112.5 | -178.9 | -55.3 | -94 | 0 | 0 | 0 | 109 | V1443 I1444 M1454 V1469 Q1470 A1471 A1475 | V1443-F1477 WeakPolarHBondContact CA-O 3.46Å; I1444-F1477 PolarHBondContact N-O 2.86Å; I1444-F1477 PolarHBondContact O-N 2.8Å; M1454-F1477 HydrophobicContact CE-CD2 3.26Å; M1454-F1477 HydrophobicContact CE-CE2 3.45Å; M1454-F1477 VanDerWaalsContact CE-CE2 3.45Å; M1454-F1477 HydrophobicContact CE-CG 4.05Å; M1454-F1477 HydrophobicContact CE-CZ 4.36Å; V1469-F1477 HydrophobicContact CG1-CB 4.14Å; V1469-F1477 HydrophobicContact CG1-CD1 4.22Å; Q1470-F1477 CarbonylContact O-C 3.55Å; Q1470-F1477 WeakPolarHBondContact O-CA 3.34Å; A1471-F1477 HydrophobicContact CB-CD1 4.29Å; A1471-F1477 HydrophobicContact CB-CE1 4.42Å; A1475-F1477 HydrophobicContact CB-CE2 4.27Å; A1475-F1477 WeakPolarHBondContact O-CD2 3.4Å; A1475-F1477 VanDerWaalsContact O-CE2 3.29Å; A1475-F1477 WeakPolarHBondContact O-CE2 3.32Å |
| 1478 | K | 82.4 | Confident | 74.3 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121 | 169 | -176.8 | 174.3 | 179.2 | -178.3 | 0 | 108.6 | F1442 V1443 Q1470 E1472 M1480 | F1442-K1478 CarbonylContact O-C 3.56Å; F1442-K1478 WeakPolarHBondContact O-CA 3Å; V1443-K1478 HydrophobicContact CG2-CB 4.1Å; V1443-K1478 HydrophobicContact CG2-CG 4.11Å; Q1470-K1478 PolarHBondContact N-O 2.64Å; Q1470-K1478 PolarHBondContact O-N 3.36Å; E1472-K1478 HydrophobicContact CG-CB 3.94Å; E1472-K1478 WeakPolarHBondContact OE1-CD 3.46Å; K1478-M1480 HydrophobicContact CD-SD 4.45Å; K1478-M1480 HydrophobicContact CG-CG 4.27Å |
| 1479 | V | 86.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.6 | 176 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | S1441 F1442 I1444 I1456 N1467 Q1468 V1469 | S1441-V1479 CarbonylContact C-O 3.39Å; S1441-V1479 VanDerWaalsContact CA-O 3.25Å; S1441-V1479 WeakPolarHBondContact CA-O 3.35Å; F1442-V1479 HydrophobicContact CD1-CB 4.06Å; F1442-V1479 HydrophobicContact CD1-CG1 4.45Å; F1442-V1479 HydrophobicContact CD2-CB 4.12Å; F1442-V1479 HydrophobicContact CD2-CG2 4.27Å; F1442-V1479 HydrophobicContact CE1-CB 3.61Å; F1442-V1479 HydrophobicContact CE1-CG1 3.6Å; F1442-V1479 HydrophobicContact CE1-CG2 4.49Å; F1442-V1479 HydrophobicContact CE2-CB 3.67Å; F1442-V1479 HydrophobicContact CE2-CG1 4.21Å; F1442-V1479 HydrophobicContact CE2-CG2 3.68Å; F1442-V1479 HydrophobicContact CG-CB 4.29Å; F1442-V1479 HydrophobicContact CZ-CB 3.39Å; F1442-V1479 HydrophobicContact CZ-CG1 3.44Å; F1442-V1479 VanDerWaalsContact CZ-CG1 3.44Å; F1442-V1479 HydrophobicContact CZ-CG2 3.8Å; F1442-V1479 PolarHBondContact N-O 2.75Å; F1442-V1479 PolarHBondContact O-N 3.1Å; I1444-V1479 HydrophobicContact CD1-CG2 3.8Å; I1444-V1479 HydrophobicContact CG1-CG2 4.33Å; I1456-V1479 HydrophobicContact CD1-CG2 3.89Å; I1456-V1479 HydrophobicContact CG2-CG1 4.1Å; I1456-V1479 HydrophobicContact CG2-CG2 4.26Å; N1467-V1479 HydrophobicContact CB-CG1 4.13Å; Q1468-V1479 CarbonylContact O-C 3.28Å; Q1468-V1479 WeakPolarHBondContact O-CA 3.42Å; V1469-V1479 HydrophobicContact CG2-CG1 4.36Å; V1469-V1479 HydrophobicContact CG2-CG2 4.36Å |
| 1480 | M | 85.3 | Confident | 74.5 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 22% | 0.217 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145 | 178.8 | -53.7 | -170.2 | -68.1 | 0 | 0 | 110.9 | V1440 N1467 Q1468 K1478 | V1440-M1480 CarbonylContact O-C 3.57Å; V1440-M1480 WeakPolarHBondContact O-CA 3.48Å; N1467-M1480 CarbonylContact C-O 3.59Å; N1467-M1480 WeakPolarHBondContact CA-O 3.22Å; Q1468-M1480 PolarHBondContact N-O 3.07Å; Q1468-M1480 PolarHBondContact O-N 3.36Å; K1478-M1480 HydrophobicContact CD-SD 4.45Å; K1478-M1480 HydrophobicContact CG-CG 4.27Å |
| 1481 | F | 88.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.4 | 169.8 | 68.8 | -88.9 | 0 | 0 | 0 | 110.2 | V1440 F1442 V1458 V1465 P1466 N1467 P1483 H1489 V1491 V1507 | V1440-F1481 HydrophobicContact CB-CD1 4.12Å; V1440-F1481 HydrophobicContact CB-CD2 4.34Å; V1440-F1481 HydrophobicContact CB-CE1 3.81Å; V1440-F1481 HydrophobicContact CB-CE2 4.03Å; V1440-F1481 HydrophobicContact CB-CG 4.39Å; V1440-F1481 HydrophobicContact CB-CZ 3.77Å; V1440-F1481 WeakPolarHBondContact CB-O 3.26Å; V1440-F1481 HydrophobicContact CG1-CD1 4.18Å; V1440-F1481 HydrophobicContact CG1-CE1 3.5Å; V1440-F1481 VanDerWaalsContact CG1-CE1 3.5Å; V1440-F1481 HydrophobicContact CG1-CE2 4.39Å; V1440-F1481 HydrophobicContact CG1-CZ 3.62Å; V1440-F1481 HydrophobicContact CG2-CE2 4.03Å; V1440-F1481 HydrophobicContact CG2-CZ 4.03Å; V1440-F1481 PolarHBondContact N-O 2.93Å; V1440-F1481 PolarHBondContact O-N 2.87Å; F1442-F1481 HydrophobicContact CD1-CE1 4.43Å; F1442-F1481 HydrophobicContact CE1-CD1 4.23Å; F1442-F1481 HydrophobicContact CE1-CE1 4.21Å; V1458-F1481 HydrophobicContact CG1-CD1 4.02Å; V1458-F1481 HydrophobicContact CG1-CD2 4.15Å; V1458-F1481 HydrophobicContact CG1-CE1 4.02Å; V1458-F1481 HydrophobicContact CG1-CE2 4.16Å; V1458-F1481 HydrophobicContact CG1-CG 4.08Å; V1458-F1481 HydrophobicContact CG1-CZ 4.09Å; V1458-F1481 HydrophobicContact CG2-CD1 4.14Å; V1465-F1481 HydrophobicContact CG1-CB 4.44Å; V1465-F1481 HydrophobicContact CG1-CD2 4.14Å; P1466-F1481 WeakPolarHBondContact O-CB 3.5Å; N1467-F1481 HydrophobicContact CB-CB 4.37Å; F1481-P1483 HydrophobicContact CD2-CB 4.39Å; F1481-P1483 HydrophobicContact CE2-CB 4.14Å; F1481-P1483 HydrophobicContact CE2-CG 4.44Å; F1481-P1483 WeakPolarHBondContact O-CD 3.02Å; F1481-H1489 HydrophobicContact CE2-CB 4.06Å; F1481-H1489 AromaticContact CE2-CD2 3.51Å; F1481-H1489 AromaticContact CE2-CG 3.86Å; F1481-H1489 HydrophobicContact CZ-CB 4.06Å; F1481-V1491 HydrophobicContact CE1-CG2 4.27Å; F1481-V1507 HydrophobicContact CZ-CB 4.26Å; F1481-V1507 HydrophobicContact CZ-CG1 4.4Å; F1481-V1507 HydrophobicContact CZ-CG2 4.25Å |
| 1482 | T | 83.2 | Confident | 76 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | trans | -106.1 | 103.5 | 179 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | G1437 | G1437-T1482 VanDerWaalsContact O-CG2 3.25Å; G1437-T1482 WeakPolarHBondContact O-CG2 3.47Å | ||
| 1483 | P | 75.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -73.1 | 131.5 | -175.3 | 30.8 | -35.5 | 0 | 0 | 0 | 112 | G1437 E1438 V1440 F1481 H1489 V1509 | G1437-P1483 PolarHBondContact N-O 3.34Å; E1438-P1483 WeakPolarHBondContact O-CD 3.48Å; V1440-P1483 HydrophobicContact CG2-CG 3.82Å; F1481-P1483 HydrophobicContact CD2-CB 4.39Å; F1481-P1483 HydrophobicContact CE2-CB 4.14Å; F1481-P1483 HydrophobicContact CE2-CG 4.44Å; F1481-P1483 WeakPolarHBondContact O-CD 3.02Å; P1483-H1489 WeakPolarHBondContact CB-NE2 3.09Å; P1483-V1509 HydrophobicContact CB-CB 4.28Å; P1483-V1509 HydrophobicContact CB-CG1 3.84Å; P1483-V1509 HydrophobicContact CB-CG2 3.64Å; P1483-V1509 HydrophobicContact CG-CB 4.34Å; P1483-V1509 HydrophobicContact CG-CG1 3.62Å; P1483-V1509 HydrophobicContact CG-CG2 3.74Å | ||
| 1484 | Q | 80.3 | Confident | 78.1 | Confident | 146 Ų | 146 | 45 Ų | 45 | 68% | 0.682 | 24% | 0.242 | S | C | * | . | trans | -99.6 | -11.5 | -179.7 | -58.3 | -65.4 | -38.5 | 0 | 0 | 113 | ||||
| 1485 | E | 74.2 | Confident | 78.7 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -125.9 | 137.5 | -178.7 | -63.6 | -174.3 | -147 | 0 | 0 | 110.3 | R1463 K1487 H1489 | R1463-E1485 IonicContact CZ-OE1 3.86Å; R1463-E1485 VanDerWaalsContact CZ-OE1 3.22Å; R1463-E1485 IonicContact CZ-OE2 3.67Å; R1463-E1485 IonicContact NH1-OE1 3.76Å; R1463-E1485 PolarHBondContact NH1-OE1 3.12Å; R1463-E1485 VanDerWaalsContact NH2-CD 3.28Å; R1463-E1485 IonicContact NH2-OE1 2.83Å; R1463-E1485 PolarHBondContact NH2-OE1 2.89Å; R1463-E1485 IonicContact NH2-OE2 3.51Å; R1463-E1485 PolarHBondContact NH2-OE2 2.78Å; E1485-K1487 HydrophobicContact CB-CD 4.14Å; E1485-K1487 HydrophobicContact CB-CG 4.28Å; E1485-K1487 PolarHBondContact O-N 2.71Å; E1485-K1487 WeakPolarHBondContact OE2-CD 3.31Å; E1485-K1487 WeakPolarHBondContact OE2-CE 3.21Å; E1485-K1487 IonicContact OE2-NZ 3.46Å; E1485-K1487 PolarHBondContact OE2-NZ 2.86Å; E1485-H1489 PolarHBondContact O-CE1 3.04Å |
| 1486 | A | 71.7 | Confident | 79 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 45% | 0.446 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -79.3 | 72.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1436 V1509 | L1436-A1486 HydrophobicContact CD1-CB 3.81Å; A1486-V1509 CarbonylContact C-O 3.53Å; A1486-V1509 WeakPolarHBondContact CA-O 3.39Å |
| 1487 | K | 70.1 | Confident | 78.5 | Confident | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -142.5 | 163.7 | -168.1 | -74.3 | -176.7 | 178.4 | 168.7 | 0 | 112.4 | V1460 D1461 E1485 H1489 V1509 | V1460-K1487 HydrophobicContact CG2-CB 3.63Å; V1460-K1487 HydrophobicContact CG2-CD 3.87Å; V1460-K1487 HydrophobicContact CG2-CG 4.42Å; D1461-K1487 IonicContact OD1-NZ 3.74Å; D1461-K1487 IonicContact OD2-NZ 3.01Å; D1461-K1487 PolarHBondContact OD2-NZ 3.36Å; E1485-K1487 HydrophobicContact CB-CD 4.14Å; E1485-K1487 HydrophobicContact CB-CG 4.28Å; E1485-K1487 PolarHBondContact O-N 2.71Å; E1485-K1487 WeakPolarHBondContact OE2-CD 3.31Å; E1485-K1487 WeakPolarHBondContact OE2-CE 3.21Å; E1485-K1487 IonicContact OE2-NZ 3.46Å; E1485-K1487 PolarHBondContact OE2-NZ 2.86Å; K1487-H1489 PolarHBondContact O-N 2.75Å; K1487-H1489 PolarHBondContact O-ND1 3.01Å; K1487-V1509 PolarHBondContact O-N 3.46Å; K1487-V1509 VanDerWaalsContact O-N 3.16Å |
| 1488 | L | 69 | Low | 77.8 | Confident | 31 Ų | 31 | 37 Ų | 37 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 113.7 | 167.8 | -161.4 | 95.9 | 0 | 0 | 0 | 109.8 | V1490 T1506 V1507 A1508 S1523 | L1488-V1490 HydrophobicContact CD2-CG2 4.45Å; L1488-T1506 HydrophobicContact CD2-CG2 3.73Å; L1488-T1506 HydrophobicContact CG-CG2 4.32Å; L1488-V1507 WeakPolarHBondContact CA-O 3.15Å; L1488-A1508 HydrophobicContact CD1-CB 4.28Å; L1488-S1523 WeakPolarHBondContact CD2-OG 3.44Å |
| 1489 | H | 78.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.4 | 169.1 | -69.4 | 56.4 | 0 | 0 | 0 | 108.9 | V1458 S1459 F1481 P1483 E1485 K1487 T1506 V1507 V1509 | V1458-H1489 HydrophobicContact CG1-CB 4.45Å; S1459-H1489 CarbonylContact O-C 3.55Å; S1459-H1489 VanDerWaalsContact O-CA 3.31Å; S1459-H1489 WeakPolarHBondContact O-CA 3.22Å; F1481-H1489 HydrophobicContact CE2-CB 4.06Å; F1481-H1489 AromaticContact CE2-CD2 3.51Å; F1481-H1489 AromaticContact CE2-CG 3.86Å; F1481-H1489 HydrophobicContact CZ-CB 4.06Å; P1483-H1489 WeakPolarHBondContact CB-NE2 3.09Å; E1485-H1489 PolarHBondContact O-CE1 3.04Å; K1487-H1489 PolarHBondContact O-N 2.75Å; K1487-H1489 PolarHBondContact O-ND1 3.01Å; H1489-T1506 CarbonylContact O-C 3.53Å; H1489-T1506 WeakPolarHBondContact O-CA 3.41Å; H1489-V1507 HydrophobicContact CB-CB 4.47Å; H1489-V1507 PolarHBondContact N-O 2.66Å; H1489-V1507 PolarHBondContact O-N 2.95Å; H1489-V1509 WeakPolarHBondContact ND1-CG2 3.42Å |
| 1490 | V | 76.7 | Confident | 77.3 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.1 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V1458 S1459 L1488 P1504 T1506 | V1458-V1490 CarbonylContact C-O 3.56Å; V1458-V1490 VanDerWaalsContact CA-O 3.29Å; V1458-V1490 WeakPolarHBondContact CA-O 3.37Å; S1459-V1490 PolarHBondContact N-O 3.23Å; S1459-V1490 PolarHBondContact O-N 2.85Å; L1488-V1490 HydrophobicContact CD2-CG2 4.45Å; V1490-P1504 HydrophobicContact CG1-CB 3.78Å; V1490-T1506 HydrophobicContact CG2-CG2 4.41Å |
| 1491 | V | 83.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 101.2 | -177.3 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | F1442 F1457 V1458 F1481 V1493 P1504 M1505 V1507 | F1442-V1491 HydrophobicContact CE1-CG1 3.82Å; F1442-V1491 HydrophobicContact CE1-CG2 4.3Å; F1442-V1491 HydrophobicContact CE2-CG1 3.77Å; F1442-V1491 HydrophobicContact CZ-CG1 3.27Å; F1457-V1491 CarbonylContact O-C 3.53Å; F1457-V1491 WeakPolarHBondContact O-CA 3.19Å; V1458-V1491 HydrophobicContact CG1-CG2 4.15Å; V1458-V1491 HydrophobicContact CG2-CG1 4.39Å; V1458-V1491 HydrophobicContact CG2-CG2 4.15Å; F1481-V1491 HydrophobicContact CE1-CG2 4.27Å; V1491-V1493 HydrophobicContact CG1-CG2 4.26Å; V1491-P1504 CarbonylContact O-C 3.5Å; V1491-P1504 VanDerWaalsContact O-CA 3.28Å; V1491-P1504 WeakPolarHBondContact O-CA 3.42Å; V1491-M1505 HydrophobicContact CB-CB 4.14Å; V1491-M1505 HydrophobicContact CB-CE 3.93Å; V1491-M1505 HydrophobicContact CG1-CE 3.96Å; V1491-M1505 HydrophobicContact CG2-CE 3.84Å; V1491-M1505 PolarHBondContact N-O 2.85Å; V1491-M1505 PolarHBondContact O-N 3.07Å; V1491-V1507 HydrophobicContact CG2-CG2 4.33Å |
| 1492 | S | 78.8 | Confident | 75.7 | Confident | 47 Ų | 47 | 42 Ų | 42 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.9 | 178.9 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | F1457 | F1457-S1492 PolarHBondContact N-O 3.12Å; F1457-S1492 PolarHBondContact O-N 3.22Å |
| 1493 | V | 83.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.5 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | L1428 I1444 M1454 E1455 I1456 V1491 V1500 S1503 | L1428-V1493 HydrophobicContact CD1-CB 4.09Å; L1428-V1493 HydrophobicContact CD1-CG1 4.28Å; L1428-V1493 HydrophobicContact CD1-CG2 4.09Å; L1428-V1493 HydrophobicContact CD2-CG2 4.15Å; I1444-V1493 HydrophobicContact CD1-CG1 3.97Å; I1444-V1493 HydrophobicContact CD1-CG2 3.99Å; M1454-V1493 HydrophobicContact CG-CG1 4.13Å; M1454-V1493 HydrophobicContact SD-CG1 4.22Å; E1455-V1493 VanDerWaalsContact O-CA 3.3Å; E1455-V1493 WeakPolarHBondContact O-CA 3.35Å; I1456-V1493 HydrophobicContact CG1-CG1 4.41Å; I1456-V1493 HydrophobicContact CG1-CG2 4.43Å; I1456-V1493 HydrophobicContact CG2-CG2 4.25Å; V1491-V1493 HydrophobicContact CG1-CG2 4.26Å; V1493-V1500 HydrophobicContact CB-CG2 3.72Å; V1493-V1500 HydrophobicContact CG1-CG2 3.63Å; V1493-V1500 PolarHBondContact O-N 2.88Å; V1493-S1503 PolarHBondContact N-OG 3.18Å; V1493-S1503 VanDerWaalsContact O-CB 3.3Å; V1493-S1503 WeakPolarHBondContact O-CB 3.31Å; V1493-S1503 PolarHBondContact O-OG 3.06Å |
| 1494 | K | 79.1 | Confident | 74.9 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 27% | 0.265 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150.3 | 171.6 | -76.7 | 177.7 | 157.5 | -130.5 | 0 | 110.3 | M1454 E1455 G1497 E1498 E1638 | M1454-K1494 WeakPolarHBondContact CA-O 3.04Å; E1455-K1494 HydrophobicContact CB-CB 4.25Å; E1455-K1494 PolarHBondContact N-O 3.21Å; E1455-K1494 PolarHBondContact O-N 2.99Å; K1494-G1497 WeakPolarHBondContact CD-O 3.36Å; K1494-G1497 WeakPolarHBondContact CE-O 3.35Å; K1494-G1497 WeakPolarHBondContact CG-O 3.23Å; K1494-G1497 PolarHBondContact NZ-O 2.84Å; K1494-E1498 CarbonylContact C-O 3.6Å; K1494-E1498 WeakPolarHBondContact CA-O 3.14Å; K1494-E1638 IonicContact NZ-OE1 2.6Å; K1494-E1638 PolarHBondContact NZ-OE1 2.98Å |
| 1495 | F | 80.1 | Confident | 74.8 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 115.7 | 175.6 | -173.7 | -103.5 | 0 | 0 | 0 | 109.8 | Y1421 V1426 A1446 A1449 N1453 M1454 G1497 E1498 V1500 | Y1421-F1495 HydrophobicContact CD2-CD1 4.32Å; Y1421-F1495 HydrophobicContact CD2-CE1 4.31Å; V1426-F1495 HydrophobicContact CG2-CB 4.13Å; V1426-F1495 HydrophobicContact CG2-CD1 4.04Å; V1426-F1495 HydrophobicContact CG2-CD2 4.18Å; V1426-F1495 HydrophobicContact CG2-CE1 4.46Å; V1426-F1495 HydrophobicContact CG2-CG 3.87Å; A1446-F1495 HydrophobicContact CB-CE2 4.35Å; A1449-F1495 HydrophobicContact CB-CD1 4.34Å; A1449-F1495 HydrophobicContact CB-CE1 3.71Å; A1449-F1495 HydrophobicContact CB-CZ 3.85Å; N1453-F1495 CarbonylContact O-C 3.58Å; N1453-F1495 VanDerWaalsContact O-CA 3.32Å; N1453-F1495 WeakPolarHBondContact O-CA 3.41Å; M1454-F1495 HydrophobicContact CB-CD2 4.24Å; M1454-F1495 HydrophobicContact CG-CD2 4.47Å; M1454-F1495 HydrophobicContact SD-CD2 3.86Å; F1495-G1497 PolarHBondContact O-N 3.29Å; F1495-E1498 PolarHBondContact N-O 3.07Å; F1495-E1498 PolarHBondContact O-N 2.91Å; F1495-V1500 HydrophobicContact CB-CG1 3.46Å; F1495-V1500 VanDerWaalsContact CB-CG1 3.46Å |
| 1496 | N | 76.2 | Confident | 74.8 | Confident | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.1 | -165.1 | -67.3 | -35.8 | 0 | 0 | 0 | 113.1 | K1345 Y1421 T1451 G1452 N1453 E1498 | K1345-N1496 WeakPolarHBondContact CD-OD1 3.38Å; K1345-N1496 PolarHBondContact NZ-OD1 2.9Å; Y1421-N1496 VanDerWaalsContact CD1-ND2 3.35Å; Y1421-N1496 WeakPolarHBondContact CD1-ND2 3.35Å; Y1421-N1496 HydrophobicContact CE1-CB 4.33Å; Y1421-N1496 HydrophobicContact CE2-CB 4.09Å; Y1421-N1496 VanDerWaalsContact CG-ND2 3.34Å; T1451-N1496 PolarHBondContact O-ND2 2.6Å; G1452-N1496 WeakPolarHBondContact CA-ND2 3.17Å; G1452-N1496 WeakPolarHBondContact CA-OD1 3.28Å; N1453-N1496 PolarHBondContact N-OD1 2.93Å; N1453-N1496 PolarHBondContact O-N 2.73Å; N1496-E1498 PolarHBondContact O-N 2.86Å |
| 1497 | G | 64.6 | Low | 75 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -26.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | K1494 F1495 | K1494-G1497 WeakPolarHBondContact CD-O 3.36Å; K1494-G1497 WeakPolarHBondContact CE-O 3.35Å; K1494-G1497 WeakPolarHBondContact CG-O 3.23Å; K1494-G1497 PolarHBondContact NZ-O 2.84Å; F1495-G1497 PolarHBondContact O-N 3.29Å |
| 1498 | E | 68.2 | Low | 75.1 | Confident | 62 Ų | 62 | 34.5 Ų | 34.5 | 29% | 0.29 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.8 | 177.8 | -69 | 171.9 | -155.7 | 0 | 0 | 112.2 | Y1421 S1423 K1494 F1495 N1496 | Y1421-E1498 PolarHBondContact OH-OE1 2.81Å; S1423-E1498 VanDerWaalsContact CB-OE2 3.23Å; S1423-E1498 WeakPolarHBondContact CB-OE2 3.49Å; S1423-E1498 PolarHBondContact OG-OE2 3.12Å; K1494-E1498 CarbonylContact C-O 3.6Å; K1494-E1498 WeakPolarHBondContact CA-O 3.14Å; F1495-E1498 PolarHBondContact N-O 3.07Å; F1495-E1498 PolarHBondContact O-N 2.91Å; N1496-E1498 PolarHBondContact O-N 2.86Å |
| 1499 | P | 74.5 | Confident | 75.3 | Confident | 85 Ų | 85 | 33.4 Ų | 33.4 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.2 | 173 | 29.1 | -34 | 0 | 0 | 0 | 111.5 | ||
| 1500 | V | 83.7 | Confident | 74.3 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -89 | 157 | -175.9 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | V1426 L1428 V1493 F1495 G1502 S1503 | V1426-V1500 HydrophobicContact CB-CB 3.94Å; V1426-V1500 HydrophobicContact CB-CG1 3.73Å; V1426-V1500 HydrophobicContact CG1-CB 4.06Å; V1426-V1500 HydrophobicContact CG1-CG1 3.9Å; V1426-V1500 HydrophobicContact CG1-CG2 4.23Å; V1426-V1500 HydrophobicContact CG2-CG1 3.88Å; L1428-V1500 HydrophobicContact CD1-CG2 3.51Å; V1493-V1500 HydrophobicContact CB-CG2 3.72Å; V1493-V1500 HydrophobicContact CG1-CG2 3.63Å; V1493-V1500 PolarHBondContact O-N 2.88Å; F1495-V1500 HydrophobicContact CB-CG1 3.46Å; F1495-V1500 VanDerWaalsContact CB-CG1 3.46Å; V1500-G1502 PolarHBondContact O-N 3.41Å; V1500-S1503 WeakPolarHBondContact O-CB 3.39Å; V1500-S1503 PolarHBondContact O-N 2.91Å |
| 1501 | P | 74.6 | Confident | 73.3 | Confident | 65 Ų | 65 | 37 Ų | 37 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 124.8 | 177.1 | -26.8 | 34.8 | 0 | 0 | 0 | 113.6 | S1423 | S1423-P1501 WeakPolarHBondContact O-CD 2.94Š|
| 1502 | G | 64.2 | Low | 71.5 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 0.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1500 P1504 M1505 | V1500-G1502 PolarHBondContact O-N 3.41Å; G1502-P1504 CarbonylContact O-C 3.4Å; G1502-M1505 WeakPolarHBondContact O-CA 3.49Å; G1502-M1505 PolarHBondContact O-N 3.13Å; G1502-M1505 VanDerWaalsContact O-N 3.12Å |
| 1503 | S | 75.8 | Confident | 70 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 138.7 | 166.5 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | V1493 V1500 | V1493-S1503 PolarHBondContact N-OG 3.18Å; V1493-S1503 VanDerWaalsContact O-CB 3.3Å; V1493-S1503 WeakPolarHBondContact O-CB 3.31Å; V1493-S1503 PolarHBondContact O-OG 3.06Å; V1500-S1503 WeakPolarHBondContact O-CB 3.39Å; V1500-S1503 PolarHBondContact O-N 2.91Å |
| 1504 | P | 67.7 | Low | 68.5 | Low | 74 Ų | 74 | 45.5 Ų | 45.5 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -73.1 | 129.8 | -11.4 | 29.9 | -33.2 | 0 | 0 | 0 | 111.6 | V1490 V1491 G1502 | V1490-P1504 HydrophobicContact CG1-CB 3.78Å; V1491-P1504 CarbonylContact O-C 3.5Å; V1491-P1504 VanDerWaalsContact O-CA 3.28Å; V1491-P1504 WeakPolarHBondContact O-CA 3.42Å; G1502-P1504 CarbonylContact O-C 3.4Å |
| 1505 | M | 77.2 | Confident | 67.6 | Low | 26 Ų | 26 | 43.8 Ų | 43.8 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 152.7 | 170 | 172.4 | 179.4 | 74.3 | 0 | 0 | 109.3 | L1428 A1431 F1442 V1491 G1502 V1507 | L1428-M1505 HydrophobicContact CD2-CB 3.7Å; L1428-M1505 HydrophobicContact CD2-CE 4.5Å; L1428-M1505 HydrophobicContact CD2-SD 4.29Å; A1431-M1505 HydrophobicContact CB-CE 4.23Å; A1431-M1505 HydrophobicContact CB-SD 4.42Å; F1442-M1505 HydrophobicContact CB-CE 3.9Å; F1442-M1505 HydrophobicContact CD1-CE 3.77Å; F1442-M1505 HydrophobicContact CD2-CE 3.93Å; F1442-M1505 HydrophobicContact CE1-CE 4.21Å; F1442-M1505 HydrophobicContact CE2-CE 4.36Å; F1442-M1505 HydrophobicContact CG-CE 3.62Å; F1442-M1505 HydrophobicContact CZ-CE 4.49Å; V1491-M1505 HydrophobicContact CB-CB 4.14Å; V1491-M1505 HydrophobicContact CB-CE 3.93Å; V1491-M1505 HydrophobicContact CG1-CE 3.96Å; V1491-M1505 HydrophobicContact CG2-CE 3.84Å; V1491-M1505 PolarHBondContact N-O 2.85Å; V1491-M1505 PolarHBondContact O-N 3.07Å; G1502-M1505 WeakPolarHBondContact O-CA 3.49Å; G1502-M1505 PolarHBondContact O-N 3.13Å; G1502-M1505 VanDerWaalsContact O-N 3.12Å; M1505-V1507 HydrophobicContact CE-CG2 4.02Å |
| 1506 | T | 75.2 | Confident | 66.9 | Low | 72 Ų | 72 | 45.1 Ų | 45.1 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.1 | 173.4 | 49 | 0 | 0 | 0 | 0 | 111.4 | L1488 H1489 V1490 | L1488-T1506 HydrophobicContact CD2-CG2 3.73Å; L1488-T1506 HydrophobicContact CG-CG2 4.32Å; H1489-T1506 CarbonylContact O-C 3.53Å; H1489-T1506 WeakPolarHBondContact O-CA 3.41Å; V1490-T1506 HydrophobicContact CG2-CG2 4.41Å |
| 1507 | V | 75.7 | Confident | 66.7 | Low | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 112.7 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | A1431 V1440 F1481 L1488 H1489 V1491 M1505 V1509 | A1431-V1507 HydrophobicContact CB-CG1 4.46Å; A1431-V1507 HydrophobicContact CB-CG2 3.75Å; V1440-V1507 HydrophobicContact CG1-CG1 4.08Å; V1440-V1507 HydrophobicContact CG1-CG2 4.49Å; V1440-V1507 HydrophobicContact CG2-CG1 4.39Å; F1481-V1507 HydrophobicContact CZ-CB 4.26Å; F1481-V1507 HydrophobicContact CZ-CG1 4.4Å; F1481-V1507 HydrophobicContact CZ-CG2 4.25Å; L1488-V1507 WeakPolarHBondContact CA-O 3.15Å; H1489-V1507 HydrophobicContact CB-CB 4.47Å; H1489-V1507 PolarHBondContact N-O 2.66Å; H1489-V1507 PolarHBondContact O-N 2.95Å; V1491-V1507 HydrophobicContact CG2-CG2 4.33Å; M1505-V1507 HydrophobicContact CE-CG2 4.02Å; V1507-V1509 HydrophobicContact CG1-CG2 4.39Å |
| 1508 | A | 71 | Confident | 67 | Low | 26 Ų | 26 | 46.2 Ų | 46.2 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1488 F1518 | L1488-A1508 HydrophobicContact CD1-CB 4.28Å; A1508-F1518 HydrophobicContact CB-CB 3.83Å |
| 1509 | V | 72.8 | Confident | 67.2 | Low | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | trans | -92.2 | 126.6 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | N1434 L1436 P1483 A1486 K1487 H1489 V1507 | N1434-V1509 CarbonylContact O-C 3.59Å; N1434-V1509 VanDerWaalsContact O-CA 3.27Å; N1434-V1509 WeakPolarHBondContact O-CA 3.34Å; L1436-V1509 HydrophobicContact CB-CG1 4.12Å; P1483-V1509 HydrophobicContact CB-CB 4.28Å; P1483-V1509 HydrophobicContact CB-CG1 3.84Å; P1483-V1509 HydrophobicContact CB-CG2 3.64Å; P1483-V1509 HydrophobicContact CG-CB 4.34Å; P1483-V1509 HydrophobicContact CG-CG1 3.62Å; P1483-V1509 HydrophobicContact CG-CG2 3.74Å; A1486-V1509 CarbonylContact C-O 3.53Å; A1486-V1509 WeakPolarHBondContact CA-O 3.39Å; K1487-V1509 PolarHBondContact O-N 3.46Å; K1487-V1509 VanDerWaalsContact O-N 3.16Å; H1489-V1509 WeakPolarHBondContact ND1-CG2 3.42Å; V1507-V1509 HydrophobicContact CG1-CG2 4.39Å | ||
| 1510 | V | 58.6 | Low | 67 | Low | 17 Ų | 17 | 42.4 Ų | 42.4 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -115.6 | 169.8 | -177.4 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | N1434 T1435 L1436 E1516 | N1434-V1510 WeakPolarHBondContact O-CG2 3.16Å; N1434-V1510 PolarHBondContact O-N 2.83Å; T1435-V1510 CarbonylContact C-O 3.55Å; T1435-V1510 WeakPolarHBondContact CA-O 3.48Å; T1435-V1510 HydrophobicContact CG2-CG2 4.09Å; L1436-V1510 PolarHBondContact N-O 3.4Å; V1510-E1516 WeakPolarHBondContact CB-OE2 3.49Å |
| 1511 | E | 54.2 | Low | 66.7 | Low | 93 Ų | 93 | 42.2 Ų | 42.2 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | trans | -127.1 | 110.2 | -170.2 | -163.9 | -161.9 | 155 | 0 | 0 | 109.4 | G1513 K1593 | E1511-G1513 PolarHBondContact O-N 2.96Å; E1511-K1593 IonicContact OE1-NZ 3.82Å; E1511-K1593 PolarHBondContact OE1-NZ 2.96Å; E1511-K1593 WeakPolarHBondContact OE2-CE 3.49Å; E1511-K1593 IonicContact OE2-NZ 3.22Å; E1511-K1593 PolarHBondContact OE2-NZ 2.98Å | ||
| 1512 | T | 45.4 | Very low | 67.2 | Low | 119 Ų | 119 | 40.3 Ų | 40.3 | 73% | 0.73 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -50.8 | 116.5 | -160.1 | 47.2 | 0 | 0 | 0 | 0 | 115.4 | T1435 | T1435-T1512 HydrophobicContact CG2-CG2 3.52Š|
| 1513 | G | 47.9 | Very low | 67.9 | Low | 78 Ų | 78 | 38.6 Ų | 38.6 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 137.3 | 11.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | E1511 | E1511-G1513 PolarHBondContact O-N 2.96Š|
| 1514 | S | 51.4 | Low | 68.1 | Low | 27 Ų | 27 | 40.2 Ų | 40.2 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -120.1 | 170.2 | -172.7 | 30.6 | 0 | 0 | 0 | 0 | 114.1 | E1516 | S1514-E1516 VanDerWaalsContact CA-OE1 3.32Å; S1514-E1516 WeakPolarHBondContact CA-OE1 3.43Å; S1514-E1516 WeakPolarHBondContact CB-OE1 3.4Å; S1514-E1516 PolarHBondContact N-OE1 3.14Å; S1514-E1516 WeakPolarHBondContact OG-CG 3.25Å; S1514-E1516 PolarHBondContact OG-OE1 2.91Å |
| 1515 | C | 60 | Low | 68.9 | Low | 26 Ų | 26 | 37.4 Ų | 37.4 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | trans | -70.9 | 128.6 | 157.7 | -63.1 | 0 | 0 | 0 | 0 | 107.1 | L1537 I1592 | C1515-L1537 HydrophobicContact CB-CD2 4.36Å; C1515-I1592 HydrophobicContact CB-CG2 3.95Å; C1515-I1592 WeakPolarHBondContact O-CB 3.33Å | ||
| 1516 | E | 65.1 | Low | 69.4 | Low | 32 Ų | 32 | 37.3 Ų | 37.3 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.3 | -160.7 | -81.9 | 155.4 | -144.4 | 0 | 0 | 112.1 | V1510 S1514 M1535 N1536 | V1510-E1516 WeakPolarHBondContact CB-OE2 3.49Å; S1514-E1516 VanDerWaalsContact CA-OE1 3.32Å; S1514-E1516 WeakPolarHBondContact CA-OE1 3.43Å; S1514-E1516 WeakPolarHBondContact CB-OE1 3.4Å; S1514-E1516 PolarHBondContact N-OE1 3.14Å; S1514-E1516 WeakPolarHBondContact OG-CG 3.25Å; S1514-E1516 PolarHBondContact OG-OE1 2.91Å; E1516-M1535 VanDerWaalsContact O-CA 3.32Å; E1516-M1535 WeakPolarHBondContact O-CA 3.17Å; E1516-N1536 PolarHBondContact N-O 2.87Å; E1516-N1536 VanDerWaalsContact N-O 3.16Å; E1516-N1536 PolarHBondContact O-N 3.01Å |
| 1517 | A | 72.8 | Confident | 69.9 | Low | 8 Ų | 8 | 34.9 Ų | 34.9 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1522 F1533 T1534 M1535 I1592 F1597 | A1517-I1522 HydrophobicContact CB-CD1 4.28Å; A1517-I1522 VanDerWaalsContact O-CD1 3.24Å; A1517-I1522 WeakPolarHBondContact O-CD1 3.43Å; A1517-F1533 HydrophobicContact CB-CD2 3.97Å; A1517-F1533 HydrophobicContact CB-CE2 3.96Å; A1517-T1534 CarbonylContact C-O 3.59Å; A1517-T1534 VanDerWaalsContact CA-O 3.32Å; A1517-T1534 WeakPolarHBondContact CA-O 3.39Å; A1517-M1535 HydrophobicContact CB-CG 3.9Å; A1517-I1592 HydrophobicContact CB-CD1 3.97Å; A1517-F1597 HydrophobicContact CB-CE2 3.91Å; A1517-F1597 HydrophobicContact CB-CZ 3.84Å |
| 1518 | F | 71.3 | Confident | 70.3 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 132.4 | -174.5 | 46.4 | -89.3 | 0 | 0 | 0 | 112.4 | A1508 T1534 N1536 | A1508-F1518 HydrophobicContact CB-CB 3.83Å; F1518-T1534 HydrophobicContact CE2-CG2 3.75Å; F1518-T1534 HydrophobicContact CZ-CG2 3.88Å; F1518-T1534 PolarHBondContact N-O 2.8Å; F1518-T1534 PolarHBondContact O-N 3.44Å; F1518-N1536 HydrophobicContact CE1-CB 4.18Å |
| 1519 | G | 72.2 | Confident | 70.9 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 147.9 | 172 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | G1521 I1522 | G1519-G1521 VanDerWaalsContact C-N 3.27Å; G1519-G1521 PolarHBondContact O-N 2.99Å; G1519-I1522 WeakPolarHBondContact O-CG1 3.18Å; G1519-I1522 PolarHBondContact O-N 3.25Å |
| 1520 | P | 69.3 | Low | 71.7 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -62.9 | -32.2 | -176.1 | 24.7 | -33.7 | 0 | 0 | 0 | 112.8 | I1522 S1523 T1524 N1532 | P1520-I1522 PolarHBondContact O-N 3.45Å; P1520-S1523 PolarHBondContact O-N 3.06Å; P1520-S1523 PolarHBondContact O-OG 2.77Å; P1520-T1524 PolarHBondContact O-N 2.81Å; P1520-T1524 VanDerWaalsContact O-O 3.09Å; P1520-N1532 WeakPolarHBondContact CD-O 3.44Å |
| 1521 | G | 77.4 | Confident | 73 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -70.9 | 16.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | G1519 N1532 F1533 Y1573 | G1519-G1521 VanDerWaalsContact C-N 3.27Å; G1519-G1521 PolarHBondContact O-N 2.99Å; G1521-N1532 WeakPolarHBondContact CA-O 3.44Å; G1521-N1532 PolarHBondContact N-O 3.29Å; G1521-F1533 VanDerWaalsContact O-CD1 3.28Å; G1521-F1533 WeakPolarHBondContact O-CD1 3.37Å; G1521-Y1573 VanDerWaalsContact O-CE1 3.29Å; G1521-Y1573 WeakPolarHBondContact O-CE1 3.47Å; G1521-Y1573 PolarHBondContact O-OH 2.85Å |
| 1522 | I | 85.3 | Confident | 74.6 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -125.8 | 7.9 | 160.9 | 54.9 | 163.7 | 0 | 0 | 0 | 112.8 | A1517 G1519 P1520 F1533 V1583 F1597 K1598 | A1517-I1522 HydrophobicContact CB-CD1 4.28Å; A1517-I1522 VanDerWaalsContact O-CD1 3.24Å; A1517-I1522 WeakPolarHBondContact O-CD1 3.43Å; G1519-I1522 WeakPolarHBondContact O-CG1 3.18Å; G1519-I1522 PolarHBondContact O-N 3.25Å; P1520-I1522 PolarHBondContact O-N 3.45Å; I1522-F1533 HydrophobicContact CG2-CB 4.16Å; I1522-F1533 HydrophobicContact CG2-CD1 3.71Å; I1522-F1533 HydrophobicContact CG2-CD2 3.94Å; I1522-F1533 HydrophobicContact CG2-CE1 3.92Å; I1522-F1533 HydrophobicContact CG2-CE2 4.13Å; I1522-F1533 HydrophobicContact CG2-CG 3.71Å; I1522-F1533 HydrophobicContact CG2-CZ 4.11Å; I1522-V1583 HydrophobicContact CG2-CB 4.41Å; I1522-V1583 HydrophobicContact CG2-CG1 4.03Å; I1522-F1597 HydrophobicContact CB-CB 3.85Å; I1522-F1597 HydrophobicContact CB-CD1 4.45Å; I1522-F1597 HydrophobicContact CB-CG 4.08Å; I1522-F1597 HydrophobicContact CD1-CD1 3.89Å; I1522-F1597 HydrophobicContact CD1-CE1 4.1Å; I1522-F1597 HydrophobicContact CD1-CG 4.27Å; I1522-F1597 HydrophobicContact CG2-CB 4.1Å; I1522-F1597 HydrophobicContact CG2-CD2 4.13Å; I1522-F1597 HydrophobicContact CG2-CG 4.09Å; I1522-K1598 CarbonylContact O-C 3.56Å |
| 1523 | S | 79.7 | Confident | 76.6 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -53.4 | -177 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L1488 P1520 I1600 | L1488-S1523 WeakPolarHBondContact CD2-OG 3.44Å; P1520-S1523 PolarHBondContact O-N 3.06Å; P1520-S1523 PolarHBondContact O-OG 2.77Å; S1523-I1600 PolarHBondContact O-N 2.86Å |
| 1524 | T | 79.3 | Confident | 78.1 | Confident | 55 Ų | 55 | 29.8 Ų | 29.8 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 133.1 | -164.3 | 36.4 | 0 | 0 | 0 | 0 | 111.9 | P1520 I1600 | P1520-T1524 PolarHBondContact O-N 2.81Å; P1520-T1524 VanDerWaalsContact O-O 3.09Å; T1524-I1600 VanDerWaalsContact CA-O 3.32Å; T1524-I1600 WeakPolarHBondContact CA-O 3.1Å |
| 1525 | T | 85.4 | Confident | 79.5 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 153.9 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | A1531 P1575 I1600 V1601 F1602 | T1525-A1531 HydrophobicContact CG2-CB 4.04Å; T1525-P1575 HydrophobicContact CG2-CG 3.69Å; T1525-I1600 PolarHBondContact N-O 2.79Å; T1525-V1601 HydrophobicContact CG2-CB 4.39Å; T1525-V1601 HydrophobicContact CG2-CG1 4.29Å; T1525-V1601 HydrophobicContact CG2-CG2 3.73Å; T1525-V1601 WeakPolarHBondContact O-CA 3.17Å; T1525-F1602 WeakPolarHBondContact O-CD1 3.48Å; T1525-F1602 PolarHBondContact O-N 2.89Å |
| 1526 | V | 86.9 | Confident | 80.2 | Confident | 24 Ų | 24 | 29.9 Ų | 29.9 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 140.9 | 169.8 | -169.6 | 0 | 0 | 0 | 0 | 110 | S1529 F1602 Q1680 | V1526-S1529 WeakPolarHBondContact O-CB 3.15Å; V1526-S1529 PolarHBondContact O-N 3.14Å; V1526-F1602 CarbonylContact C-O 3.57Å; V1526-F1602 WeakPolarHBondContact CA-O 3.47Å; V1526-F1602 HydrophobicContact CG2-CE1 4.21Å; V1526-F1602 HydrophobicContact CG2-CE2 3.88Å; V1526-F1602 HydrophobicContact CG2-CZ 3.6Å; V1526-Q1680 HydrophobicContact CG2-CG 4.07Å |
| 1527 | A | 86.9 | Confident | 80.3 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 139.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1529 V1578 V1601 F1602 N1603 | A1527-S1529 PolarHBondContact O-N 3.08Å; A1527-V1578 HydrophobicContact CB-CG2 4.25Å; A1527-V1601 HydrophobicContact CB-CG1 3.87Å; A1527-F1602 PolarHBondContact N-O 2.82Å; A1527-N1603 HydrophobicContact CB-CB 4.21Å |
| 1528 | G | 83.2 | Confident | 79.8 | Confident | 41 Ų | 41 | 33 Ų | 33 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 1.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1574 P1575 | G1528-K1574 VanDerWaalsContact C-CE 3.46Å; G1528-K1574 WeakPolarHBondContact O-CE 3.47Å; G1528-K1574 PolarHBondContact O-NZ 3.05Å; G1528-P1575 PolarHBondContact N-O 2.9Å |
| 1529 | S | 84.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -98.7 | 158.7 | 171.3 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | V1526 A1527 A1531 | V1526-S1529 WeakPolarHBondContact O-CB 3.15Å; V1526-S1529 PolarHBondContact O-N 3.14Å; A1527-S1529 PolarHBondContact O-N 3.08Å; S1529-A1531 PolarHBondContact O-N 3.25Å |
| 1530 | T | 88.1 | Confident | 78.4 | Confident | 73 Ų | 73 | 42.4 Ų | 42.4 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | trans | -85.8 | 104.9 | 179.7 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | E1572 Y1573 | T1530-E1572 HydrophobicContact CG2-CB 4.3Å; T1530-Y1573 CarbonylContact C-O 3.58Å; T1530-Y1573 WeakPolarHBondContact CA-O 3.41Å | ||
| 1531 | A | 85.7 | Confident | 77.7 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 141.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1525 S1529 E1572 Y1573 | T1525-A1531 HydrophobicContact CG2-CB 4.04Å; S1529-A1531 PolarHBondContact O-N 3.25Å; A1531-E1572 WeakPolarHBondContact O-CA 3.27Å; A1531-Y1573 HydrophobicContact CB-CD1 4.12Å; A1531-Y1573 HydrophobicContact CB-CD2 4.15Å; A1531-Y1573 HydrophobicContact CB-CE1 3.69Å; A1531-Y1573 HydrophobicContact CB-CE2 3.72Å; A1531-Y1573 HydrophobicContact CB-CG 4.32Å; A1531-Y1573 VanDerWaalsContact CB-CZ 3.46Å; A1531-Y1573 PolarHBondContact N-O 2.87Å; A1531-Y1573 PolarHBondContact O-N 3.44Å |
| 1532 | N | 89.4 | Confident | 76.5 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 148 | 176.4 | 69.7 | 102 | 0 | 0 | 0 | 113.2 | P1520 G1521 R1570 V1571 E1572 | P1520-N1532 WeakPolarHBondContact CD-O 3.44Å; G1521-N1532 WeakPolarHBondContact CA-O 3.44Å; G1521-N1532 PolarHBondContact N-O 3.29Å; N1532-R1570 PolarHBondContact OD1-NH1 2.85Å; N1532-V1571 CarbonylContact C-O 3.53Å; N1532-V1571 WeakPolarHBondContact CA-O 3.48Å; N1532-V1571 WeakPolarHBondContact CB-O 3.37Å; N1532-E1572 HydrophobicContact CB-CG 3.94Å |
| 1533 | F | 86.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 170.2 | 173.7 | 66 | -89.1 | 0 | 0 | 0 | 110.9 | A1517 G1521 I1522 M1535 V1547 R1570 V1571 Y1573 V1583 V1585 | A1517-F1533 HydrophobicContact CB-CD2 3.97Å; A1517-F1533 HydrophobicContact CB-CE2 3.96Å; G1521-F1533 VanDerWaalsContact O-CD1 3.28Å; G1521-F1533 WeakPolarHBondContact O-CD1 3.37Å; I1522-F1533 HydrophobicContact CG2-CB 4.16Å; I1522-F1533 HydrophobicContact CG2-CD1 3.71Å; I1522-F1533 HydrophobicContact CG2-CD2 3.94Å; I1522-F1533 HydrophobicContact CG2-CE1 3.92Å; I1522-F1533 HydrophobicContact CG2-CE2 4.13Å; I1522-F1533 HydrophobicContact CG2-CG 3.71Å; I1522-F1533 HydrophobicContact CG2-CZ 4.11Å; F1533-M1535 HydrophobicContact CD2-CG 4.07Å; F1533-M1535 HydrophobicContact CE2-CG 3.71Å; F1533-M1535 HydrophobicContact CE2-SD 3.95Å; F1533-V1547 HydrophobicContact CZ-CG1 4.1Å; F1533-R1570 CarbonylContact O-C 3.51Å; F1533-R1570 WeakPolarHBondContact O-CA 3.4Å; F1533-V1571 HydrophobicContact CD1-CB 3.9Å; F1533-V1571 HydrophobicContact CD1-CG1 4.18Å; F1533-V1571 HydrophobicContact CD2-CB 4.09Å; F1533-V1571 HydrophobicContact CD2-CG2 4.11Å; F1533-V1571 HydrophobicContact CE1-CB 3.65Å; F1533-V1571 HydrophobicContact CE1-CG1 3.5Å; F1533-V1571 HydrophobicContact CE1-CG2 4.33Å; F1533-V1571 HydrophobicContact CE2-CB 3.85Å; F1533-V1571 HydrophobicContact CE2-CG1 4.3Å; F1533-V1571 HydrophobicContact CE2-CG2 3.66Å; F1533-V1571 HydrophobicContact CG-CB 4.13Å; F1533-V1571 HydrophobicContact CZ-CB 3.64Å; F1533-V1571 HydrophobicContact CZ-CG1 3.59Å; F1533-V1571 HydrophobicContact CZ-CG2 3.8Å; F1533-V1571 PolarHBondContact N-O 3.08Å; F1533-V1571 PolarHBondContact O-N 3.08Å; F1533-Y1573 HydrophobicContact CD1-CE1 4.4Å; F1533-Y1573 HydrophobicContact CE1-CE1 4.31Å; F1533-V1583 HydrophobicContact CE1-CG1 3.78Å; F1533-V1583 HydrophobicContact CZ-CG1 3.8Å; F1533-V1585 HydrophobicContact CE2-CG2 4.25Å; F1533-V1585 HydrophobicContact CZ-CG2 4.11Å |
| 1534 | T | 80.7 | Confident | 74.2 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148.1 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | A1517 F1518 N1568 F1569 | A1517-T1534 CarbonylContact C-O 3.59Å; A1517-T1534 VanDerWaalsContact CA-O 3.32Å; A1517-T1534 WeakPolarHBondContact CA-O 3.39Å; F1518-T1534 HydrophobicContact CE2-CG2 3.75Å; F1518-T1534 HydrophobicContact CZ-CG2 3.88Å; F1518-T1534 PolarHBondContact N-O 2.8Å; F1518-T1534 PolarHBondContact O-N 3.44Å; T1534-N1568 HydrophobicContact CG2-CB 3.81Å; T1534-F1569 CarbonylContact C-O 3.58Å; T1534-F1569 VanDerWaalsContact CA-O 3.29Å; T1534-F1569 WeakPolarHBondContact CA-O 3.42Å |
| 1535 | M | 79.4 | Confident | 73.7 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.8 | 174.4 | -68.7 | 177.4 | 54.4 | 0 | 0 | 111 | E1516 A1517 F1533 L1537 C1545 V1547 N1568 F1569 V1571 V1585 | E1516-M1535 VanDerWaalsContact O-CA 3.32Å; E1516-M1535 WeakPolarHBondContact O-CA 3.17Å; A1517-M1535 HydrophobicContact CB-CG 3.9Å; F1533-M1535 HydrophobicContact CD2-CG 4.07Å; F1533-M1535 HydrophobicContact CE2-CG 3.71Å; F1533-M1535 HydrophobicContact CE2-SD 3.95Å; M1535-L1537 HydrophobicContact CE-CD2 3.78Å; M1535-C1545 WeakPolarHBondContact CE-SG 3.24Å; M1535-V1547 HydrophobicContact SD-CG2 4.04Å; M1535-N1568 WeakPolarHBondContact O-CA 3.38Å; M1535-N1568 WeakPolarHBondContact O-CB 3.28Å; M1535-N1568 PolarHBondContact O-OD1 2.85Å; M1535-F1569 HydrophobicContact CB-CB 4.39Å; M1535-F1569 PolarHBondContact N-O 3.04Å; M1535-F1569 PolarHBondContact O-N 3.06Å; M1535-V1571 HydrophobicContact CG-CG2 4.25Å; M1535-V1571 HydrophobicContact SD-CG2 3.94Å; M1535-V1585 HydrophobicContact CE-CG1 3.27Å; M1535-V1585 HydrophobicContact SD-CG1 3.64Å |
| 1536 | N | 74.5 | Confident | 73.4 | Confident | 54 Ų | 54 | 62 Ų | 62 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.9 | 164.3 | -175.8 | 6.3 | 0 | 0 | 0 | 109.9 | E1516 F1518 N1538 N1568 | E1516-N1536 PolarHBondContact N-O 2.87Å; E1516-N1536 VanDerWaalsContact N-O 3.16Å; E1516-N1536 PolarHBondContact O-N 3.01Å; F1518-N1536 HydrophobicContact CE1-CB 4.18Å; N1536-N1538 PolarHBondContact ND2-OD1 2.84Å; N1536-N1538 PolarHBondContact OD1-N 2.87Å; N1536-N1538 PolarHBondContact OD1-OD1 2.85Å; N1536-N1568 WeakPolarHBondContact CA-OD1 3.3Å; N1536-N1568 VanDerWaalsContact CB-OD1 3.23Å; N1536-N1568 WeakPolarHBondContact CB-OD1 3.41Å |
| 1537 | L | 68.9 | Low | 73.4 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | trans | -109.9 | 1.6 | -177.9 | -68.9 | -174.1 | 0 | 0 | 0 | 114.3 | C1515 M1535 D1539 K1540 C1545 F1569 V1587 | C1515-L1537 HydrophobicContact CB-CD2 4.36Å; M1535-L1537 HydrophobicContact CE-CD2 3.78Å; L1537-D1539 PolarHBondContact O-N 3.45Å; L1537-K1540 HydrophobicContact CB-CB 4.39Å; L1537-K1540 WeakPolarHBondContact O-CB 3.44Å; L1537-K1540 PolarHBondContact O-N 2.84Å; L1537-K1540 VanDerWaalsContact O-N 3.1Å; L1537-C1545 HydrophobicContact CD1-CB 3.97Å; L1537-F1569 HydrophobicContact CB-CE2 4.47Å; L1537-F1569 HydrophobicContact CD1-CD2 3.78Å; L1537-F1569 HydrophobicContact CD1-CE2 3.67Å; L1537-F1569 HydrophobicContact CG-CD2 4.07Å; L1537-F1569 HydrophobicContact CG-CE2 4.2Å; L1537-V1587 HydrophobicContact CD2-CG2 3.62Å | ||
| 1538 | N | 62.3 | Low | 73.5 | Confident | 101 Ų | 101 | 64 Ų | 64 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 66.2 | 178.7 | -70.2 | -26.7 | 0 | 0 | 0 | 112.8 | N1536 K1540 | N1536-N1538 PolarHBondContact ND2-OD1 2.84Å; N1536-N1538 PolarHBondContact OD1-N 2.87Å; N1536-N1538 PolarHBondContact OD1-OD1 2.85Å; N1538-K1540 VanDerWaalsContact C-N 3.27Å; N1538-K1540 PolarHBondContact O-N 2.93Å |
| 1539 | D | 60.7 | Low | 73.9 | Confident | 176 Ų | 176 | 62 Ų | 62 | 94% | 0.941 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 3.3 | -179.7 | -70.1 | -38.8 | 0 | 0 | 0 | 118.6 | L1537 | L1537-D1539 PolarHBondContact O-N 3.45Š|
| 1540 | K | 52.8 | Low | 74.1 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | trans | -67.4 | 150.6 | 167.5 | -72 | -167.6 | 171.1 | -165.6 | 0 | 113 | L1537 N1538 V1587 | L1537-K1540 HydrophobicContact CB-CB 4.39Å; L1537-K1540 WeakPolarHBondContact O-CB 3.44Å; L1537-K1540 PolarHBondContact O-N 2.84Å; L1537-K1540 VanDerWaalsContact O-N 3.1Å; N1538-K1540 VanDerWaalsContact C-N 3.27Å; N1538-K1540 PolarHBondContact O-N 2.93Å; K1540-V1587 HydrophobicContact CB-CG1 4.48Å; K1540-V1587 HydrophobicContact CD-CG1 3.59Å | ||
| 1541 | R | 53.9 | Low | 74 | Confident | 201 Ų | 201 | 57.2 Ų | 57.2 | 76% | 0.758 | 31% | 0.311 | S | S | * | . | trans | -84.9 | 149.5 | -174.3 | -70.8 | -172.1 | 175.8 | -158.4 | 0.3 | 112.8 | G1543 E1544 | R1541-G1543 PolarHBondContact O-N 2.79Å; R1541-G1543 VanDerWaalsContact O-N 3.11Å; R1541-E1544 PolarHBondContact O-N 3.13Å; R1541-E1544 VanDerWaalsContact O-N 3.16Å | ||
| 1542 | T | 51.8 | Low | 73.9 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -54.2 | -30.8 | 179.7 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | E1544 C1545 F1569 | T1542-E1544 PolarHBondContact O-N 2.86Å; T1542-C1545 PolarHBondContact O-N 3.49Å; T1542-F1569 HydrophobicContact CG2-CD1 4.36Å; T1542-F1569 HydrophobicContact CG2-CE1 3.25Å; T1542-F1569 HydrophobicContact CG2-CZ 3.38Å |
| 1543 | G | 56.1 | Low | 73.9 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 81% | 0.814 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -68.9 | -9.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1541 | R1541-G1543 PolarHBondContact O-N 2.79Å; R1541-G1543 VanDerWaalsContact O-N 3.11Å |
| 1544 | E | 62 | Low | 73.9 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 40% | 0.397 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -97 | -16.8 | 177.9 | -69.5 | 164.4 | -142.9 | 0 | 0 | 112.7 | R1541 T1542 V1587 G1588 | R1541-E1544 PolarHBondContact O-N 3.13Å; R1541-E1544 VanDerWaalsContact O-N 3.16Å; T1542-E1544 PolarHBondContact O-N 2.86Å; E1544-V1587 HydrophobicContact CB-CG1 4.07Å; E1544-V1587 CarbonylContact O-C 3.51Å; E1544-V1587 VanDerWaalsContact O-CA 3.28Å; E1544-V1587 WeakPolarHBondContact O-CA 3.28Å; E1544-G1588 PolarHBondContact O-N 2.84Å |
| 1545 | C | 67.4 | Low | 74.2 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 25% | 0.25 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.5 | -169.4 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | M1535 L1537 T1542 S1586 | M1535-C1545 WeakPolarHBondContact CE-SG 3.24Å; L1537-C1545 HydrophobicContact CD1-CB 3.97Å; T1542-C1545 PolarHBondContact O-N 3.49Å; C1545-S1586 CarbonylContact C-O 3.02Å; C1545-S1586 WeakPolarHBondContact CA-O 3.45Å |
| 1546 | N | 80.4 | Confident | 74.6 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.4 | 177.6 | -157.2 | 3.2 | 0 | 0 | 0 | 110.6 | S1586 | N1546-S1586 PolarHBondContact N-O 3.23Å; N1546-S1586 PolarHBondContact O-N 3.31Å |
| 1547 | V | 86.3 | Confident | 75.3 | Confident | 18 Ų | 18 | 75.2 Ų | 75.2 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 126.8 | -178.8 | -177 | 0 | 0 | 0 | 0 | 110 | F1533 M1535 V1559 V1571 E1584 V1585 | F1533-V1547 HydrophobicContact CZ-CG1 4.1Å; M1535-V1547 HydrophobicContact SD-CG2 4.04Å; V1547-V1559 HydrophobicContact CB-CG1 4.36Å; V1547-V1559 HydrophobicContact CG1-CG1 4.06Å; V1547-V1571 HydrophobicContact CG1-CG1 4.19Å; V1547-E1584 WeakPolarHBondContact CA-O 3.32Å; V1547-V1585 HydrophobicContact CG1-CG2 4.2Å; V1547-V1585 HydrophobicContact CG2-CG1 4.35Å; V1547-V1585 HydrophobicContact CG2-CG2 4.27Å |
| 1548 | I | 88.5 | Confident | 76 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 35% | 0.349 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.3 | 179.8 | -61.3 | 170.8 | 0 | 0 | 0 | 107.8 | T1556 E1584 | I1548-T1556 HydrophobicContact CG2-CG2 3.73Å; I1548-E1584 HydrophobicContact CB-CB 4.36Å; I1548-E1584 PolarHBondContact N-O 3.09Å; I1548-E1584 PolarHBondContact O-N 2.81Å |
| 1549 | V | 91.3 | Very high | 77.3 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T1556 L1557 V1559 Y1573 H1581 K1582 V1583 | V1549-T1556 CarbonylContact O-C 3.49Å; V1549-T1556 WeakPolarHBondContact O-CA 3.27Å; V1549-L1557 HydrophobicContact CB-CB 4.33Å; V1549-L1557 HydrophobicContact CG1-CB 4.38Å; V1549-L1557 HydrophobicContact CG1-CD1 4.02Å; V1549-L1557 PolarHBondContact O-N 3.16Å; V1549-V1559 HydrophobicContact CB-CG2 4.15Å; V1549-V1559 HydrophobicContact CG2-CG2 3.7Å; V1549-Y1573 HydrophobicContact CB-CD2 4.47Å; V1549-Y1573 HydrophobicContact CG1-CD2 3.83Å; V1549-Y1573 HydrophobicContact CG1-CE2 3.8Å; V1549-Y1573 HydrophobicContact CG1-CG 4.31Å; V1549-Y1573 HydrophobicContact CG2-CD1 3.93Å; V1549-Y1573 HydrophobicContact CG2-CD2 4.38Å; V1549-Y1573 HydrophobicContact CG2-CE1 4.19Å; V1549-Y1573 HydrophobicContact CG2-CG 4.04Å; V1549-H1581 HydrophobicContact CG1-CB 4.49Å; V1549-K1582 CarbonylContact C-O 3.57Å; V1549-K1582 WeakPolarHBondContact CA-O 3.42Å; V1549-V1583 HydrophobicContact CG1-CG2 4.26Å; V1549-V1583 HydrophobicContact CG2-CB 4.48Å; V1549-V1583 HydrophobicContact CG2-CG1 4.11Å; V1549-V1583 HydrophobicContact CG2-CG2 4.12Å |
| 1550 | T | 89.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 75.5 Ų | 75.5 | 11% | 0.11 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.5 | 178.4 | -46.1 | 0 | 0 | 0 | 0 | 110 | T1555 T1556 H1581 K1582 | T1550-T1555 CarbonylContact C-O 3.55Å; T1550-T1555 WeakPolarHBondContact CA-O 3.49Å; T1550-T1556 HydrophobicContact CG2-CG2 4.49Å; T1550-H1581 CarbonylContact O-C 3.58Å; T1550-H1581 WeakPolarHBondContact O-CA 3.36Å; T1550-K1582 PolarHBondContact N-O 2.99Å; T1550-K1582 PolarHBondContact O-N 2.63Å |
| 1551 | A | 86.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 42% | 0.417 | C | S | . | . | trans | -84.7 | 167.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1553 E1554 T1555 I1577 H1581 | A1551-D1553 WeakPolarHBondContact CB-OD1 3.36Å; A1551-D1553 PolarHBondContact O-N 3.47Å; A1551-E1554 PolarHBondContact O-N 3.11Å; A1551-T1555 PolarHBondContact N-O 2.84Å; A1551-I1577 HydrophobicContact CB-CD1 4.24Å; A1551-H1581 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 1552 | P | 83.4 | Confident | 81 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16 | -179.5 | -26.3 | 32.5 | 0 | 0 | 0 | 116 | I1577 E1580 H1581 | P1552-I1577 HydrophobicContact CB-CG2 4.49Å; P1552-I1577 HydrophobicContact CG-CG2 4.08Å; P1552-E1580 WeakPolarHBondContact CG-O 3.44Å; P1552-H1581 WeakPolarHBondContact CD-CE1 3.35Å |
| 1553 | D | 88.9 | Confident | 82.2 | Confident | 86 Ų | 86 | 72 Ų | 72 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 19.1 | 178.6 | 69.6 | -16.9 | 0 | 0 | 0 | 113.1 | A1551 T1555 I1577 | A1551-D1553 WeakPolarHBondContact CB-OD1 3.36Å; A1551-D1553 PolarHBondContact O-N 3.47Å; D1553-T1555 PolarHBondContact O-N 3.23Å; D1553-T1555 VanDerWaalsContact O-N 3.16Å; D1553-T1555 WeakPolarHBondContact OD1-CB 2.98Å; D1553-T1555 WeakPolarHBondContact OD1-CG2 3.32Å; D1553-T1555 PolarHBondContact OD1-N 3.09Å; D1553-T1555 VanDerWaalsContact OD1-N 3.12Å; D1553-T1555 PolarHBondContact OD1-OG1 2.84Å; D1553-T1555 WeakPolarHBondContact OD2-CG2 3.44Å; D1553-T1555 PolarHBondContact OD2-OG1 3.19Å; D1553-I1577 HydrophobicContact CB-CD1 4.34Å; D1553-I1577 VanDerWaalsContact CG-CD1 3.42Å; D1553-I1577 WeakPolarHBondContact OD2-CD1 3.34Å |
| 1554 | E | 87.5 | Confident | 83.1 | Confident | 166 Ų | 166 | 72.1 Ų | 72.1 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 62.3 | 7.4 | -173.9 | -62.4 | -73.8 | 177.2 | 0 | 0 | 114.6 | A1551 | A1551-E1554 PolarHBondContact O-N 3.11Š|
| 1555 | T | 86.9 | Confident | 83.5 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 138 | 175.4 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | T1550 A1551 D1553 | T1550-T1555 CarbonylContact C-O 3.55Å; T1550-T1555 WeakPolarHBondContact CA-O 3.49Å; A1551-T1555 PolarHBondContact N-O 2.84Å; D1553-T1555 PolarHBondContact O-N 3.23Å; D1553-T1555 VanDerWaalsContact O-N 3.16Å; D1553-T1555 WeakPolarHBondContact OD1-CB 2.98Å; D1553-T1555 WeakPolarHBondContact OD1-CG2 3.32Å; D1553-T1555 PolarHBondContact OD1-N 3.09Å; D1553-T1555 VanDerWaalsContact OD1-N 3.12Å; D1553-T1555 PolarHBondContact OD1-OG1 2.84Å; D1553-T1555 WeakPolarHBondContact OD2-CG2 3.44Å; D1553-T1555 PolarHBondContact OD2-OG1 3.19Å |
| 1556 | T | 87.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 82 Ų | 82 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.8 | 178 | 29.4 | 0 | 0 | 0 | 0 | 111.5 | I1548 V1549 T1550 | I1548-T1556 HydrophobicContact CG2-CG2 3.73Å; V1549-T1556 CarbonylContact O-C 3.49Å; V1549-T1556 WeakPolarHBondContact O-CA 3.27Å; T1550-T1556 HydrophobicContact CG2-CG2 4.49Å |
| 1557 | L | 88.5 | Confident | 83 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 146.1 | -177.8 | -63.1 | -179.5 | 0 | 0 | 0 | 111.9 | V1549 V1559 Y1573 P1575 | V1549-L1557 HydrophobicContact CB-CB 4.33Å; V1549-L1557 HydrophobicContact CG1-CB 4.38Å; V1549-L1557 HydrophobicContact CG1-CD1 4.02Å; V1549-L1557 PolarHBondContact O-N 3.16Å; L1557-V1559 PolarHBondContact O-N 3.16Å; L1557-Y1573 HydrophobicContact CD1-CD2 4.01Å; L1557-P1575 HydrophobicContact CD1-CB 3.84Å |
| 1558 | P | 84.4 | Confident | 82.4 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 72% | 0.721 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 120.6 | 175.5 | 28.7 | -34 | 0 | 0 | 0 | 111.6 | ||
| 1559 | V | 89.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 77.3 Ų | 77.3 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 147.6 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | V1547 V1549 L1557 V1571 | V1547-V1559 HydrophobicContact CB-CG1 4.36Å; V1547-V1559 HydrophobicContact CG1-CG1 4.06Å; V1549-V1559 HydrophobicContact CB-CG2 4.15Å; V1549-V1559 HydrophobicContact CG2-CG2 3.7Å; L1557-V1559 PolarHBondContact O-N 3.16Å; V1559-V1571 HydrophobicContact CG1-CG1 3.37Å |
| 1560 | K | 83.5 | Confident | 81.6 | Confident | 133 Ų | 133 | 81.2 Ų | 81.2 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 170.8 | -61.1 | 178.4 | -174.9 | 173.1 | 0 | 110.3 | F1562 V1571 E1572 | K1560-F1562 HydrophobicContact CB-CE2 3.72Å; K1560-F1562 HydrophobicContact CB-CZ 3.94Å; K1560-F1562 HydrophobicContact CD-CE2 4.41Å; K1560-F1562 HydrophobicContact CD-CZ 4.04Å; K1560-V1571 CarbonylContact O-C 3.44Å; K1560-V1571 WeakPolarHBondContact O-CA 3.44Å; K1560-E1572 PolarHBondContact N-O 3.1Å; K1560-E1572 PolarHBondContact O-N 3.38Å |
| 1561 | C | 82 | Confident | 81.5 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 51% | 0.507 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.5 | 175.4 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | R1570 | C1561-R1570 CarbonylContact C-O 3.06Å; C1561-R1570 WeakPolarHBondContact CA-O 3.3Å |
| 1562 | F | 80.4 | Confident | 81.7 | Confident | 96 Ų | 96 | 82 Ų | 82 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.8 | -177.8 | -57 | -82.8 | 0 | 0 | 0 | 110.1 | K1560 F1569 R1570 E1572 | K1560-F1562 HydrophobicContact CB-CE2 3.72Å; K1560-F1562 HydrophobicContact CB-CZ 3.94Å; K1560-F1562 HydrophobicContact CD-CE2 4.41Å; K1560-F1562 HydrophobicContact CD-CZ 4.04Å; F1562-F1569 CarbonylContact O-C 3.54Å; F1562-F1569 WeakPolarHBondContact O-CA 3.12Å; F1562-R1570 PolarHBondContact N-O 2.79Å; F1562-R1570 PolarHBondContact O-N 2.74Å; F1562-E1572 HydrophobicContact CD2-CG 4.33Å; F1562-E1572 HydrophobicContact CE2-CB 4.45Å; F1562-E1572 HydrophobicContact CE2-CG 3.99Å |
| 1563 | K | 75.7 | Confident | 82.2 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.1 | 173.6 | -168 | 168.3 | -174.3 | 174.9 | 0 | 110.7 | F1569 | K1563-F1569 HydrophobicContact CB-CD1 3.9Å; K1563-F1569 HydrophobicContact CB-CE1 3.54Å; K1563-F1569 HydrophobicContact CB-CZ 4.39Å; K1563-F1569 HydrophobicContact CD-CE1 3.67Å; K1563-F1569 HydrophobicContact CD-CZ 3.67Å; K1563-F1569 HydrophobicContact CG-CD1 4.07Å; K1563-F1569 HydrophobicContact CG-CE1 3.47Å; K1563-F1569 VanDerWaalsContact CG-CE1 3.47Å; K1563-F1569 HydrophobicContact CG-CZ 3.82Å |
| 1564 | Q | 76.5 | Confident | 82.3 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | trans | -84.4 | 164.2 | 174.1 | -69.1 | -73.8 | 9.1 | 0 | 0 | 111.6 | D1566 G1567 N1568 R1570 | Q1564-D1566 VanDerWaalsContact C-N 3.3Å; Q1564-D1566 WeakPolarHBondContact CB-OD1 3.43Å; Q1564-D1566 PolarHBondContact O-N 2.8Å; Q1564-G1567 PolarHBondContact O-N 2.87Å; Q1564-N1568 HydrophobicContact CB-CB 4.43Å; Q1564-N1568 WeakPolarHBondContact CB-O 3.2Å; Q1564-N1568 PolarHBondContact N-O 2.85Å; Q1564-R1570 HydrophobicContact CG-CB 4.28Å | ||
| 1565 | K | 69.7 | Low | 82.2 | Confident | 219 Ų | 219 | 72.5 Ų | 72.5 | 95% | 0.952 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -22.3 | -177.7 | -72.9 | -174.5 | 177.8 | 179.4 | 0 | 114.4 | G1567 | K1565-G1567 VanDerWaalsContact C-N 3.34Š|
| 1566 | D | 70.1 | Confident | 82.2 | Confident | 111 Ų | 111 | 73.8 Ų | 73.8 | 59% | 0.594 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.3 | 179.2 | 58.4 | -1.6 | 0 | 0 | 0 | 113.4 | Q1564 N1568 | Q1564-D1566 VanDerWaalsContact C-N 3.3Å; Q1564-D1566 WeakPolarHBondContact CB-OD1 3.43Å; Q1564-D1566 PolarHBondContact O-N 2.8Å; D1566-N1568 WeakPolarHBondContact OD1-CB 3.33Å; D1566-N1568 PolarHBondContact OD1-N 3.03Å; D1566-N1568 PolarHBondContact OD2-ND2 3.11Å |
| 1567 | G | 66.8 | Low | 82.2 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 108.2 | -17.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1564 K1565 F1569 | Q1564-G1567 PolarHBondContact O-N 2.87Å; K1565-G1567 VanDerWaalsContact C-N 3.34Å; G1567-F1569 VanDerWaalsContact O-CE2 3.28Å; G1567-F1569 WeakPolarHBondContact O-CE2 3.31Å |
| 1568 | N | 73.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | trans | -73.7 | 172.2 | -179.7 | -67 | -49.4 | 0 | 0 | 0 | 112.5 | T1534 M1535 N1536 Q1564 D1566 | T1534-N1568 HydrophobicContact CG2-CB 3.81Å; M1535-N1568 WeakPolarHBondContact O-CA 3.38Å; M1535-N1568 WeakPolarHBondContact O-CB 3.28Å; M1535-N1568 PolarHBondContact O-OD1 2.85Å; N1536-N1568 WeakPolarHBondContact CA-OD1 3.3Å; N1536-N1568 VanDerWaalsContact CB-OD1 3.23Å; N1536-N1568 WeakPolarHBondContact CB-OD1 3.41Å; Q1564-N1568 HydrophobicContact CB-CB 4.43Å; Q1564-N1568 WeakPolarHBondContact CB-O 3.2Å; Q1564-N1568 PolarHBondContact N-O 2.85Å; D1566-N1568 WeakPolarHBondContact OD1-CB 3.33Å; D1566-N1568 PolarHBondContact OD1-N 3.03Å; D1566-N1568 PolarHBondContact OD2-ND2 3.11Å | ||
| 1569 | F | 77.8 | Confident | 82.1 | Confident | 18 Ų | 18 | 68 Ų | 68 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.1 | 178.3 | -63.6 | -87.9 | 0 | 0 | 0 | 111.1 | T1534 M1535 L1537 T1542 F1562 K1563 G1567 | T1534-F1569 CarbonylContact C-O 3.58Å; T1534-F1569 VanDerWaalsContact CA-O 3.29Å; T1534-F1569 WeakPolarHBondContact CA-O 3.42Å; M1535-F1569 HydrophobicContact CB-CB 4.39Å; M1535-F1569 PolarHBondContact N-O 3.04Å; M1535-F1569 PolarHBondContact O-N 3.06Å; L1537-F1569 HydrophobicContact CB-CE2 4.47Å; L1537-F1569 HydrophobicContact CD1-CD2 3.78Å; L1537-F1569 HydrophobicContact CD1-CE2 3.67Å; L1537-F1569 HydrophobicContact CG-CD2 4.07Å; L1537-F1569 HydrophobicContact CG-CE2 4.2Å; T1542-F1569 HydrophobicContact CG2-CD1 4.36Å; T1542-F1569 HydrophobicContact CG2-CE1 3.25Å; T1542-F1569 HydrophobicContact CG2-CZ 3.38Å; F1562-F1569 CarbonylContact O-C 3.54Å; F1562-F1569 WeakPolarHBondContact O-CA 3.12Å; K1563-F1569 HydrophobicContact CB-CD1 3.9Å; K1563-F1569 HydrophobicContact CB-CE1 3.54Å; K1563-F1569 HydrophobicContact CB-CZ 4.39Å; K1563-F1569 HydrophobicContact CD-CE1 3.67Å; K1563-F1569 HydrophobicContact CD-CZ 3.67Å; K1563-F1569 HydrophobicContact CG-CD1 4.07Å; K1563-F1569 HydrophobicContact CG-CE1 3.47Å; K1563-F1569 VanDerWaalsContact CG-CE1 3.47Å; K1563-F1569 HydrophobicContact CG-CZ 3.82Å; G1567-F1569 VanDerWaalsContact O-CE2 3.28Å; G1567-F1569 WeakPolarHBondContact O-CE2 3.31Å |
| 1570 | R | 84.6 | Confident | 82 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.2 | 171.5 | 175 | 176.2 | 169 | 117 | -4.9 | 109.2 | N1532 F1533 C1561 F1562 Q1564 E1572 | N1532-R1570 PolarHBondContact OD1-NH1 2.85Å; F1533-R1570 CarbonylContact O-C 3.51Å; F1533-R1570 WeakPolarHBondContact O-CA 3.4Å; C1561-R1570 CarbonylContact C-O 3.06Å; C1561-R1570 WeakPolarHBondContact CA-O 3.3Å; F1562-R1570 PolarHBondContact N-O 2.79Å; F1562-R1570 PolarHBondContact O-N 2.74Å; Q1564-R1570 HydrophobicContact CG-CB 4.28Å; R1570-E1572 HydrophobicContact CG-CG 4.33Å; R1570-E1572 IonicContact CZ-OE1 3.17Å; R1570-E1572 IonicContact NE-OE1 2.78Å; R1570-E1572 PolarHBondContact NE-OE1 3.3Å; R1570-E1572 IonicContact NH2-OE1 3.45Å; R1570-E1572 PolarHBondContact NH2-OE1 2.85Å |
| 1571 | V | 88 | Confident | 82.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.6 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 109 | N1532 F1533 M1535 V1547 V1559 K1560 | N1532-V1571 CarbonylContact C-O 3.53Å; N1532-V1571 WeakPolarHBondContact CA-O 3.48Å; N1532-V1571 WeakPolarHBondContact CB-O 3.37Å; F1533-V1571 HydrophobicContact CD1-CB 3.9Å; F1533-V1571 HydrophobicContact CD1-CG1 4.18Å; F1533-V1571 HydrophobicContact CD2-CB 4.09Å; F1533-V1571 HydrophobicContact CD2-CG2 4.11Å; F1533-V1571 HydrophobicContact CE1-CB 3.65Å; F1533-V1571 HydrophobicContact CE1-CG1 3.5Å; F1533-V1571 HydrophobicContact CE1-CG2 4.33Å; F1533-V1571 HydrophobicContact CE2-CB 3.85Å; F1533-V1571 HydrophobicContact CE2-CG1 4.3Å; F1533-V1571 HydrophobicContact CE2-CG2 3.66Å; F1533-V1571 HydrophobicContact CG-CB 4.13Å; F1533-V1571 HydrophobicContact CZ-CB 3.64Å; F1533-V1571 HydrophobicContact CZ-CG1 3.59Å; F1533-V1571 HydrophobicContact CZ-CG2 3.8Å; F1533-V1571 PolarHBondContact N-O 3.08Å; F1533-V1571 PolarHBondContact O-N 3.08Å; M1535-V1571 HydrophobicContact CG-CG2 4.25Å; M1535-V1571 HydrophobicContact SD-CG2 3.94Å; V1547-V1571 HydrophobicContact CG1-CG1 4.19Å; V1559-V1571 HydrophobicContact CG1-CG1 3.37Å; K1560-V1571 CarbonylContact O-C 3.44Å; K1560-V1571 WeakPolarHBondContact O-CA 3.44Å |
| 1572 | E | 91.2 | Very high | 82.6 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 140.3 | 177.9 | -54.8 | -169.5 | 154 | 0 | 0 | 111.7 | T1530 A1531 N1532 K1560 F1562 R1570 | T1530-E1572 HydrophobicContact CG2-CB 4.3Å; A1531-E1572 WeakPolarHBondContact O-CA 3.27Å; N1532-E1572 HydrophobicContact CB-CG 3.94Å; K1560-E1572 PolarHBondContact N-O 3.1Å; K1560-E1572 PolarHBondContact O-N 3.38Å; F1562-E1572 HydrophobicContact CD2-CG 4.33Å; F1562-E1572 HydrophobicContact CE2-CB 4.45Å; F1562-E1572 HydrophobicContact CE2-CG 3.99Å; R1570-E1572 HydrophobicContact CG-CG 4.33Å; R1570-E1572 IonicContact CZ-OE1 3.17Å; R1570-E1572 IonicContact NE-OE1 2.78Å; R1570-E1572 PolarHBondContact NE-OE1 3.3Å; R1570-E1572 IonicContact NH2-OE1 3.45Å; R1570-E1572 PolarHBondContact NH2-OE1 2.85Å |
| 1573 | Y | 92.7 | Very high | 83.1 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 176.1 | 169.9 | 66 | -83 | 0 | 0 | 0 | 110 | G1521 T1530 A1531 F1533 V1549 L1557 P1575 V1583 C1599 | G1521-Y1573 VanDerWaalsContact O-CE1 3.29Å; G1521-Y1573 WeakPolarHBondContact O-CE1 3.47Å; G1521-Y1573 PolarHBondContact O-OH 2.85Å; T1530-Y1573 CarbonylContact C-O 3.58Å; T1530-Y1573 WeakPolarHBondContact CA-O 3.41Å; A1531-Y1573 HydrophobicContact CB-CD1 4.12Å; A1531-Y1573 HydrophobicContact CB-CD2 4.15Å; A1531-Y1573 HydrophobicContact CB-CE1 3.69Å; A1531-Y1573 HydrophobicContact CB-CE2 3.72Å; A1531-Y1573 HydrophobicContact CB-CG 4.32Å; A1531-Y1573 VanDerWaalsContact CB-CZ 3.46Å; A1531-Y1573 PolarHBondContact N-O 2.87Å; A1531-Y1573 PolarHBondContact O-N 3.44Å; F1533-Y1573 HydrophobicContact CD1-CE1 4.4Å; F1533-Y1573 HydrophobicContact CE1-CE1 4.31Å; V1549-Y1573 HydrophobicContact CB-CD2 4.47Å; V1549-Y1573 HydrophobicContact CG1-CD2 3.83Å; V1549-Y1573 HydrophobicContact CG1-CE2 3.8Å; V1549-Y1573 HydrophobicContact CG1-CG 4.31Å; V1549-Y1573 HydrophobicContact CG2-CD1 3.93Å; V1549-Y1573 HydrophobicContact CG2-CD2 4.38Å; V1549-Y1573 HydrophobicContact CG2-CE1 4.19Å; V1549-Y1573 HydrophobicContact CG2-CG 4.04Å; L1557-Y1573 HydrophobicContact CD1-CD2 4.01Å; Y1573-P1575 HydrophobicContact CD2-CG 4.31Å; Y1573-P1575 HydrophobicContact CE2-CB 4.27Å; Y1573-P1575 HydrophobicContact CE2-CG 3.91Å; Y1573-V1583 HydrophobicContact CE1-CG2 4.42Å; Y1573-C1599 WeakPolarHBondContact OH-CB 3.33Å; Y1573-C1599 PolarHBondContact OH-SG 2.88Å |
| 1574 | K | 90.7 | Very high | 83.7 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | trans | -139.9 | 91.6 | -175 | -166.5 | 173.1 | -174.3 | 175.1 | 0 | 111.6 | G1528 | G1528-K1574 VanDerWaalsContact C-CE 3.46Å; G1528-K1574 WeakPolarHBondContact O-CE 3.47Å; G1528-K1574 PolarHBondContact O-NZ 3.05Å | ||
| 1575 | P | 87.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -77.2 | 142.8 | 179.8 | 32.3 | -32.8 | 0 | 0 | 0 | 111.5 | T1525 G1528 L1557 Y1573 H1581 V1601 | T1525-P1575 HydrophobicContact CG2-CG 3.69Å; G1528-P1575 PolarHBondContact N-O 2.9Å; L1557-P1575 HydrophobicContact CD1-CB 3.84Å; Y1573-P1575 HydrophobicContact CD2-CG 4.31Å; Y1573-P1575 HydrophobicContact CE2-CB 4.27Å; Y1573-P1575 HydrophobicContact CE2-CG 3.91Å; P1575-H1581 WeakPolarHBondContact CB-NE2 3.45Å; P1575-V1601 HydrophobicContact CB-CG1 4.18Å; P1575-V1601 HydrophobicContact CB-CG2 3.8Å; P1575-V1601 HydrophobicContact CG-CG1 4.04Å; P1575-V1601 HydrophobicContact CG-CG2 3.74Å | ||
| 1576 | S | 85.3 | Confident | 84.7 | Confident | 91 Ų | 91 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | trans | -120.2 | -6.6 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1577 | I | 87.2 | Confident | 84.8 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -103.3 | 143.3 | 179.7 | -63.2 | 175.6 | 0 | 0 | 0 | 108.2 | A1551 P1552 D1553 H1581 V1601 | A1551-I1577 HydrophobicContact CB-CD1 4.24Å; P1552-I1577 HydrophobicContact CB-CG2 4.49Å; P1552-I1577 HydrophobicContact CG-CG2 4.08Å; D1553-I1577 HydrophobicContact CB-CD1 4.34Å; D1553-I1577 VanDerWaalsContact CG-CD1 3.42Å; D1553-I1577 WeakPolarHBondContact OD2-CD1 3.34Å; I1577-H1581 PolarHBondContact O-CE1 3.2Å; I1577-V1601 WeakPolarHBondContact O-CB 3.36Å; I1577-V1601 WeakPolarHBondContact O-CG1 3.42Å |
| 1578 | V | 88.3 | Confident | 84.8 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -83.7 | 133.7 | 173.5 | 173 | 0 | 0 | 0 | 0 | 109.1 | A1527 N1603 L1606 A1630 | A1527-V1578 HydrophobicContact CB-CG2 4.25Å; V1578-N1603 HydrophobicContact CG2-CB 3.72Å; V1578-L1606 HydrophobicContact CG2-CD1 4.25Å; V1578-A1630 WeakPolarHBondContact CG1-O 3.44Å |
| 1579 | G | 82.4 | Confident | 84.6 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.9 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1581 V1601 | G1579-H1581 PolarHBondContact O-N 2.76Å; G1579-H1581 PolarHBondContact O-ND1 2.78Å; G1579-V1601 PolarHBondContact N-O 2.95Å; G1579-V1601 WeakPolarHBondContact O-CB 3.23Å; G1579-V1601 PolarHBondContact O-N 2.76Å |
| 1580 | E | 87.5 | Confident | 84 | Confident | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 114.6 | -176.9 | -168 | -168.8 | 103.6 | 0 | 0 | 111.7 | P1552 K1598 I1600 | P1552-E1580 WeakPolarHBondContact CG-O 3.44Å; E1580-K1598 HydrophobicContact CG-CB 4.02Å; E1580-K1598 HydrophobicContact CG-CG 4.17Å; E1580-K1598 IonicContact OE1-NZ 2.81Å; E1580-K1598 PolarHBondContact OE1-NZ 2.84Å; E1580-K1598 WeakPolarHBondContact OE2-CD 3.47Å; E1580-K1598 IonicContact OE2-NZ 2.83Å; E1580-K1598 PolarHBondContact OE2-NZ 3.38Å; E1580-I1600 HydrophobicContact CB-CD1 4.14Å; E1580-I1600 HydrophobicContact CG-CD1 4.05Å |
| 1581 | H | 89.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.1 | 171.6 | -72.5 | 54.2 | 0 | 0 | 0 | 110.4 | V1549 T1550 A1551 P1552 P1575 I1577 G1579 C1599 V1601 | V1549-H1581 HydrophobicContact CG1-CB 4.49Å; T1550-H1581 CarbonylContact O-C 3.58Å; T1550-H1581 WeakPolarHBondContact O-CA 3.36Å; A1551-H1581 WeakPolarHBondContact CB-NE2 3.43Å; P1552-H1581 WeakPolarHBondContact CD-CE1 3.35Å; P1575-H1581 WeakPolarHBondContact CB-NE2 3.45Å; I1577-H1581 PolarHBondContact O-CE1 3.2Å; G1579-H1581 PolarHBondContact O-N 2.76Å; G1579-H1581 PolarHBondContact O-ND1 2.78Å; H1581-C1599 HydrophobicContact CB-CB 4.39Å; H1581-C1599 PolarHBondContact N-O 3.42Å; H1581-C1599 PolarHBondContact O-N 3.46Å; H1581-V1601 HydrophobicContact CB-CG2 4.33Å; H1581-V1601 WeakPolarHBondContact ND1-CG2 3.28Å |
| 1582 | K | 89.7 | Confident | 83.1 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 115.4 | 179.7 | -164.2 | -168.5 | -167 | -161.4 | 0 | 109.2 | V1549 T1550 E1584 P1596 | V1549-K1582 CarbonylContact C-O 3.57Å; V1549-K1582 WeakPolarHBondContact CA-O 3.42Å; T1550-K1582 PolarHBondContact N-O 2.99Å; T1550-K1582 PolarHBondContact O-N 2.63Å; K1582-E1584 WeakPolarHBondContact CE-OE1 3.18Å; K1582-E1584 IonicContact NZ-OE1 2.71Å; K1582-E1584 PolarHBondContact NZ-OE1 3.37Å; K1582-P1596 HydrophobicContact CD-CB 4.27Å; K1582-P1596 HydrophobicContact CG-CB 3.66Å; K1582-P1596 HydrophobicContact CG-CG 4.5Å |
| 1583 | V | 90.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 101.2 | 178 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I1522 F1533 V1549 Y1573 V1585 P1596 F1597 C1599 | I1522-V1583 HydrophobicContact CG2-CB 4.41Å; I1522-V1583 HydrophobicContact CG2-CG1 4.03Å; F1533-V1583 HydrophobicContact CE1-CG1 3.78Å; F1533-V1583 HydrophobicContact CZ-CG1 3.8Å; V1549-V1583 HydrophobicContact CG1-CG2 4.26Å; V1549-V1583 HydrophobicContact CG2-CB 4.48Å; V1549-V1583 HydrophobicContact CG2-CG1 4.11Å; V1549-V1583 HydrophobicContact CG2-CG2 4.12Å; Y1573-V1583 HydrophobicContact CE1-CG2 4.42Å; V1583-V1585 HydrophobicContact CG1-CG2 4.24Å; V1583-P1596 WeakPolarHBondContact O-CA 3.5Å; V1583-F1597 HydrophobicContact CB-CB 4.28Å; V1583-F1597 PolarHBondContact N-O 3.48Å; V1583-F1597 WeakPolarHBondContact O-CD2 3.46Å; V1583-F1597 PolarHBondContact O-N 2.82Å; V1583-C1599 HydrophobicContact CG2-CB 4.15Å |
| 1584 | E | 89 | Confident | 80.7 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.8 | 175.5 | -77.9 | -176.2 | -169.9 | 0 | 0 | 111.2 | V1547 I1548 K1582 P1596 | V1547-E1584 WeakPolarHBondContact CA-O 3.32Å; I1548-E1584 HydrophobicContact CB-CB 4.36Å; I1548-E1584 PolarHBondContact N-O 3.09Å; I1548-E1584 PolarHBondContact O-N 2.81Å; K1582-E1584 WeakPolarHBondContact CE-OE1 3.18Å; K1582-E1584 IonicContact NZ-OE1 2.71Å; K1582-E1584 PolarHBondContact NZ-OE1 3.37Å; E1584-P1596 HydrophobicContact CG-CB 3.76Å |
| 1585 | V | 86.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.3 | -179.1 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | F1533 M1535 V1547 V1583 Q1591 I1592 S1595 F1597 | F1533-V1585 HydrophobicContact CE2-CG2 4.25Å; F1533-V1585 HydrophobicContact CZ-CG2 4.11Å; M1535-V1585 HydrophobicContact CE-CG1 3.27Å; M1535-V1585 HydrophobicContact SD-CG1 3.64Å; V1547-V1585 HydrophobicContact CG1-CG2 4.2Å; V1547-V1585 HydrophobicContact CG2-CG1 4.35Å; V1547-V1585 HydrophobicContact CG2-CG2 4.27Å; V1583-V1585 HydrophobicContact CG1-CG2 4.24Å; V1585-Q1591 WeakPolarHBondContact O-CA 3.2Å; V1585-I1592 HydrophobicContact CB-CD1 3.92Å; V1585-I1592 HydrophobicContact CB-CG1 3.88Å; V1585-I1592 HydrophobicContact CG1-CD1 3.5Å; V1585-I1592 VanDerWaalsContact CG1-CD1 3.5Å; V1585-I1592 HydrophobicContact CG1-CG1 3.79Å; V1585-I1592 HydrophobicContact CG1-CG2 4.28Å; V1585-I1592 PolarHBondContact O-N 2.86Å; V1585-S1595 PolarHBondContact N-OG 2.66Å; V1585-S1595 WeakPolarHBondContact O-CB 3.26Å; V1585-S1595 PolarHBondContact O-OG 3.3Å; V1585-F1597 HydrophobicContact CB-CE2 4.23Å; V1585-F1597 HydrophobicContact CG2-CD2 4.27Å; V1585-F1597 HydrophobicContact CG2-CE2 4.01Å |
| 1586 | S | 78.9 | Confident | 80 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.6 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | C1545 N1546 Q1590 | C1545-S1586 CarbonylContact C-O 3.02Å; C1545-S1586 WeakPolarHBondContact CA-O 3.45Å; N1546-S1586 PolarHBondContact N-O 3.23Å; N1546-S1586 PolarHBondContact O-N 3.31Å; S1586-Q1590 CarbonylContact C-O 3.59Å; S1586-Q1590 WeakPolarHBondContact CA-O 3.44Å; S1586-Q1590 VanDerWaalsContact CB-O 3.26Å; S1586-Q1590 WeakPolarHBondContact CB-O 3.37Å |
| 1587 | V | 73.2 | Confident | 79.9 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 105 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | L1537 K1540 E1544 Q1590 I1592 | L1537-V1587 HydrophobicContact CD2-CG2 3.62Å; K1540-V1587 HydrophobicContact CB-CG1 4.48Å; K1540-V1587 HydrophobicContact CD-CG1 3.59Å; E1544-V1587 HydrophobicContact CB-CG1 4.07Å; E1544-V1587 CarbonylContact O-C 3.51Å; E1544-V1587 VanDerWaalsContact O-CA 3.28Å; E1544-V1587 WeakPolarHBondContact O-CA 3.28Å; V1587-Q1590 PolarHBondContact N-O 3.48Å; V1587-I1592 HydrophobicContact CB-CG2 4.37Å; V1587-I1592 HydrophobicContact CG2-CG2 3.65Å |
| 1588 | G | 65.9 | Low | 79.8 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 48.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E1544 Q1590 | E1544-G1588 PolarHBondContact O-N 2.84Å; G1588-Q1590 PolarHBondContact O-N 2.61Å |
| 1589 | D | 71.2 | Confident | 79.7 | Confident | 157 Ų | 157 | 53 Ų | 53 | 84% | 0.84 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 0.4 | -175.8 | -59.6 | -35.8 | 0 | 0 | 0 | 116.6 | ||
| 1590 | Q | 63.7 | Low | 79.9 | Confident | 150 Ų | 150 | 54 Ų | 54 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.6 | 168.2 | -67.9 | -171.6 | -39.7 | 0 | 0 | 111.1 | S1586 V1587 G1588 | S1586-Q1590 CarbonylContact C-O 3.59Å; S1586-Q1590 WeakPolarHBondContact CA-O 3.44Å; S1586-Q1590 VanDerWaalsContact CB-O 3.26Å; S1586-Q1590 WeakPolarHBondContact CB-O 3.37Å; V1587-Q1590 PolarHBondContact N-O 3.48Å; G1588-Q1590 PolarHBondContact O-N 2.61Å |
| 1591 | Q | 77.3 | Confident | 79.9 | Confident | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 143.5 | 172.6 | -74.5 | -176.5 | -18.5 | 0 | 0 | 111.1 | V1585 | V1585-Q1591 WeakPolarHBondContact O-CA 3.2Å |
| 1592 | I | 76.5 | Confident | 79.9 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 162.9 | 175.9 | 70.7 | 166.6 | 0 | 0 | 0 | 111.6 | C1515 A1517 V1585 V1587 G1594 S1595 F1597 | C1515-I1592 HydrophobicContact CB-CG2 3.95Å; C1515-I1592 WeakPolarHBondContact O-CB 3.33Å; A1517-I1592 HydrophobicContact CB-CD1 3.97Å; V1585-I1592 HydrophobicContact CB-CD1 3.92Å; V1585-I1592 HydrophobicContact CB-CG1 3.88Å; V1585-I1592 HydrophobicContact CG1-CD1 3.5Å; V1585-I1592 VanDerWaalsContact CG1-CD1 3.5Å; V1585-I1592 HydrophobicContact CG1-CG1 3.79Å; V1585-I1592 HydrophobicContact CG1-CG2 4.28Å; V1585-I1592 PolarHBondContact O-N 2.86Å; V1587-I1592 HydrophobicContact CB-CG2 4.37Å; V1587-I1592 HydrophobicContact CG2-CG2 3.65Å; I1592-G1594 PolarHBondContact O-N 2.83Å; I1592-S1595 WeakPolarHBondContact O-CB 3.45Å; I1592-S1595 PolarHBondContact O-N 3.32Å; I1592-F1597 HydrophobicContact CD1-CE2 4Å; I1592-F1597 HydrophobicContact CD1-CZ 3.94Å; I1592-F1597 HydrophobicContact CG1-CE2 4.15Å; I1592-F1597 HydrophobicContact CG1-CZ 4.18Å |
| 1593 | K | 65.5 | Low | 79.7 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 128.1 | 178.8 | -142.8 | -174.4 | -170.4 | -162.5 | 0 | 109.8 | E1511 | E1511-K1593 IonicContact OE1-NZ 3.82Å; E1511-K1593 PolarHBondContact OE1-NZ 2.96Å; E1511-K1593 WeakPolarHBondContact OE2-CE 3.49Å; E1511-K1593 IonicContact OE2-NZ 3.22Å; E1511-K1593 PolarHBondContact OE2-NZ 2.98Å |
| 1594 | G | 69.4 | Low | 79.4 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -13.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1592 P1596 F1597 | I1592-G1594 PolarHBondContact O-N 2.83Å; G1594-P1596 CarbonylContact O-C 3.48Å; G1594-P1596 VanDerWaalsContact O-C 3.22Å; G1594-F1597 VanDerWaalsContact C-CE1 3.42Å; G1594-F1597 VanDerWaalsContact O-CD1 3.25Å; G1594-F1597 WeakPolarHBondContact O-CD1 3.21Å; G1594-F1597 WeakPolarHBondContact O-CE1 3.41Å; G1594-F1597 PolarHBondContact O-N 2.75Å |
| 1595 | S | 80.8 | Confident | 78.9 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 139.5 | 167.8 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | V1585 I1592 | V1585-S1595 PolarHBondContact N-OG 2.66Å; V1585-S1595 WeakPolarHBondContact O-CB 3.26Å; V1585-S1595 PolarHBondContact O-OG 3.3Å; I1592-S1595 WeakPolarHBondContact O-CB 3.45Å; I1592-S1595 PolarHBondContact O-N 3.32Å |
| 1596 | P | 81.8 | Confident | 78.7 | Confident | 54 Ų | 54 | 54 Ų | 54 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | S | Bend | cis | -69.9 | 127.9 | -7.6 | 26.7 | -33.8 | 0 | 0 | 0 | 113.2 | K1582 V1583 E1584 G1594 | K1582-P1596 HydrophobicContact CD-CB 4.27Å; K1582-P1596 HydrophobicContact CG-CB 3.66Å; K1582-P1596 HydrophobicContact CG-CG 4.5Å; V1583-P1596 WeakPolarHBondContact O-CA 3.5Å; E1584-P1596 HydrophobicContact CG-CB 3.76Å; G1594-P1596 CarbonylContact O-C 3.48Å; G1594-P1596 VanDerWaalsContact O-C 3.22Å |
| 1597 | F | 83.1 | Confident | 78.9 | Confident | 28 Ų | 28 | 53 Ų | 53 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 149.8 | 172 | -51.2 | -88.2 | 0 | 0 | 0 | 110.5 | A1517 I1522 V1583 V1585 I1592 G1594 | A1517-F1597 HydrophobicContact CB-CE2 3.91Å; A1517-F1597 HydrophobicContact CB-CZ 3.84Å; I1522-F1597 HydrophobicContact CB-CB 3.85Å; I1522-F1597 HydrophobicContact CB-CD1 4.45Å; I1522-F1597 HydrophobicContact CB-CG 4.08Å; I1522-F1597 HydrophobicContact CD1-CD1 3.89Å; I1522-F1597 HydrophobicContact CD1-CE1 4.1Å; I1522-F1597 HydrophobicContact CD1-CG 4.27Å; I1522-F1597 HydrophobicContact CG2-CB 4.1Å; I1522-F1597 HydrophobicContact CG2-CD2 4.13Å; I1522-F1597 HydrophobicContact CG2-CG 4.09Å; V1583-F1597 HydrophobicContact CB-CB 4.28Å; V1583-F1597 PolarHBondContact N-O 3.48Å; V1583-F1597 WeakPolarHBondContact O-CD2 3.46Å; V1583-F1597 PolarHBondContact O-N 2.82Å; V1585-F1597 HydrophobicContact CB-CE2 4.23Å; V1585-F1597 HydrophobicContact CG2-CD2 4.27Å; V1585-F1597 HydrophobicContact CG2-CE2 4.01Å; I1592-F1597 HydrophobicContact CD1-CE2 4Å; I1592-F1597 HydrophobicContact CD1-CZ 3.94Å; I1592-F1597 HydrophobicContact CG1-CE2 4.15Å; I1592-F1597 HydrophobicContact CG1-CZ 4.18Å; G1594-F1597 VanDerWaalsContact C-CE1 3.42Å; G1594-F1597 VanDerWaalsContact O-CD1 3.25Å; G1594-F1597 WeakPolarHBondContact O-CD1 3.21Å; G1594-F1597 WeakPolarHBondContact O-CE1 3.41Å; G1594-F1597 PolarHBondContact O-N 2.75Å |
| 1598 | K | 85.2 | Confident | 79 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 55% | 0.548 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 101 | 179.7 | -69.8 | 173.8 | 168.9 | -81.6 | 0 | 110 | I1522 E1580 | I1522-K1598 CarbonylContact O-C 3.56Å; E1580-K1598 HydrophobicContact CG-CB 4.02Å; E1580-K1598 HydrophobicContact CG-CG 4.17Å; E1580-K1598 IonicContact OE1-NZ 2.81Å; E1580-K1598 PolarHBondContact OE1-NZ 2.84Å; E1580-K1598 WeakPolarHBondContact OE2-CD 3.47Å; E1580-K1598 IonicContact OE2-NZ 2.83Å; E1580-K1598 PolarHBondContact OE2-NZ 3.38Å |
| 1599 | C | 86.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112.7 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | Y1573 H1581 V1583 V1601 | Y1573-C1599 WeakPolarHBondContact OH-CB 3.33Å; Y1573-C1599 PolarHBondContact OH-SG 2.88Å; H1581-C1599 HydrophobicContact CB-CB 4.39Å; H1581-C1599 PolarHBondContact N-O 3.42Å; H1581-C1599 PolarHBondContact O-N 3.46Å; V1583-C1599 HydrophobicContact CG2-CB 4.15Å; C1599-V1601 PolarHBondContact O-N 2.87Å |
| 1600 | I | 86.1 | Confident | 79.7 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.7 | 172.7 | -53.6 | -63.3 | 0 | 0 | 0 | 109.7 | S1523 T1524 T1525 E1580 K1632 | S1523-I1600 PolarHBondContact O-N 2.86Å; T1524-I1600 VanDerWaalsContact CA-O 3.32Å; T1524-I1600 WeakPolarHBondContact CA-O 3.1Å; T1525-I1600 PolarHBondContact N-O 2.79Å; E1580-I1600 HydrophobicContact CB-CD1 4.14Å; E1580-I1600 HydrophobicContact CG-CD1 4.05Å; I1600-K1632 HydrophobicContact CG2-CB 4.11Å; I1600-K1632 WeakPolarHBondContact CG2-O 3.32Å |
| 1601 | V | 87.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.9 | 174 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | T1525 A1527 P1575 I1577 G1579 H1581 C1599 | T1525-V1601 HydrophobicContact CG2-CB 4.39Å; T1525-V1601 HydrophobicContact CG2-CG1 4.29Å; T1525-V1601 HydrophobicContact CG2-CG2 3.73Å; T1525-V1601 WeakPolarHBondContact O-CA 3.17Å; A1527-V1601 HydrophobicContact CB-CG1 3.87Å; P1575-V1601 HydrophobicContact CB-CG1 4.18Å; P1575-V1601 HydrophobicContact CB-CG2 3.8Å; P1575-V1601 HydrophobicContact CG-CG1 4.04Å; P1575-V1601 HydrophobicContact CG-CG2 3.74Å; I1577-V1601 WeakPolarHBondContact O-CB 3.36Å; I1577-V1601 WeakPolarHBondContact O-CG1 3.42Å; G1579-V1601 PolarHBondContact N-O 2.95Å; G1579-V1601 WeakPolarHBondContact O-CB 3.23Å; G1579-V1601 PolarHBondContact O-N 2.76Å; H1581-V1601 HydrophobicContact CB-CG2 4.33Å; H1581-V1601 WeakPolarHBondContact ND1-CG2 3.28Å; C1599-V1601 PolarHBondContact O-N 2.87Å |
| 1602 | F | 89.2 | Confident | 80.1 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 161.8 | -176.9 | 70.9 | -87.3 | 0 | 0 | 0 | 112.6 | T1525 V1526 A1527 A1630 A1633 Y1677 | T1525-F1602 WeakPolarHBondContact O-CD1 3.48Å; T1525-F1602 PolarHBondContact O-N 2.89Å; V1526-F1602 CarbonylContact C-O 3.57Å; V1526-F1602 WeakPolarHBondContact CA-O 3.47Å; V1526-F1602 HydrophobicContact CG2-CE1 4.21Å; V1526-F1602 HydrophobicContact CG2-CE2 3.88Å; V1526-F1602 HydrophobicContact CG2-CZ 3.6Å; A1527-F1602 PolarHBondContact N-O 2.82Å; F1602-A1630 CarbonylContact C-O 3.58Å; F1602-A1630 WeakPolarHBondContact CA-O 3.12Å; F1602-A1630 VanDerWaalsContact CB-O 3.31Å; F1602-A1630 WeakPolarHBondContact CB-O 3.33Å; F1602-A1633 HydrophobicContact CB-CB 4.1Å; F1602-A1633 HydrophobicContact CD1-CB 3.68Å; F1602-A1633 HydrophobicContact CD2-CB 3.64Å; F1602-A1633 HydrophobicContact CE1-CB 3.9Å; F1602-A1633 HydrophobicContact CE2-CB 3.87Å; F1602-A1633 HydrophobicContact CG-CB 3.54Å; F1602-A1633 HydrophobicContact CZ-CB 3.99Å; F1602-Y1677 HydrophobicContact CD2-CD1 4.05Å; F1602-Y1677 HydrophobicContact CD2-CE1 4.37Å; F1602-Y1677 WeakPolarHBondContact CE2-O 3.34Å |
| 1603 | N | 86.7 | Confident | 79.8 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | trans | -136.5 | 113.2 | 174.5 | -175.5 | -0.1 | 0 | 0 | 0 | 110.9 | A1527 V1578 D1605 L1606 A1630 | A1527-N1603 HydrophobicContact CB-CB 4.21Å; V1578-N1603 HydrophobicContact CG2-CB 3.72Å; N1603-D1605 VanDerWaalsContact C-N 3.27Å; N1603-D1605 PolarHBondContact O-N 3.14Å; N1603-D1605 WeakPolarHBondContact OD1-CB 3.16Å; N1603-D1605 VanDerWaalsContact OD1-CG 3.3Å; N1603-D1605 PolarHBondContact OD1-N 3.02Å; N1603-D1605 PolarHBondContact OD1-OD2 2.86Å; N1603-L1606 HydrophobicContact CB-CD1 4.1Å; N1603-L1606 HydrophobicContact CB-CG 4.24Å; N1603-L1606 PolarHBondContact O-N 3.39Å; N1603-A1630 PolarHBondContact N-O 3.1Å; N1603-A1630 VanDerWaalsContact O-CB 3.32Å; N1603-A1630 WeakPolarHBondContact O-CB 3.33Å | ||
| 1604 | P | 82.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62.8 | -29.6 | 178.3 | 28.8 | -36.7 | 0 | 0 | 0 | 113.1 | L1606 V1607 Q1680 V1682 | P1604-L1606 PolarHBondContact O-N 2.85Å; P1604-V1607 WeakPolarHBondContact O-CB 3.4Å; P1604-V1607 PolarHBondContact O-N 2.85Å; P1604-Q1680 HydrophobicContact CB-CB 4.04Å; P1604-Q1680 HydrophobicContact CG-CB 3.77Å; P1604-Q1680 HydrophobicContact CG-CG 4.23Å; P1604-V1682 HydrophobicContact CB-CG2 4.44Å |
| 1605 | D | 79.7 | Confident | 80.1 | Confident | 110 Ų | 110 | 45.2 Ų | 45.2 | 59% | 0.588 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -59.6 | -16.9 | -179.2 | -57.8 | -20.2 | 0 | 0 | 0 | 113.8 | N1603 R1608 | N1603-D1605 VanDerWaalsContact C-N 3.27Å; N1603-D1605 PolarHBondContact O-N 3.14Å; N1603-D1605 WeakPolarHBondContact OD1-CB 3.16Å; N1603-D1605 VanDerWaalsContact OD1-CG 3.3Å; N1603-D1605 PolarHBondContact OD1-N 3.02Å; N1603-D1605 PolarHBondContact OD1-OD2 2.86Å; D1605-R1608 PolarHBondContact O-NH1 2.81Å; D1605-R1608 PolarHBondContact O-NH2 2.78Å; D1605-R1608 VanDerWaalsContact O-NH2 3.15Å |
| 1606 | L | 83.3 | Confident | 79.9 | Confident | 71 Ų | 71 | 45 Ų | 45 | 37% | 0.372 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -98.1 | -3.8 | -178.1 | -59.6 | 179.8 | 0 | 0 | 0 | 113.3 | V1578 N1603 P1604 R1629 A1630 | V1578-L1606 HydrophobicContact CG2-CD1 4.25Å; N1603-L1606 HydrophobicContact CB-CD1 4.1Å; N1603-L1606 HydrophobicContact CB-CG 4.24Å; N1603-L1606 PolarHBondContact O-N 3.39Å; P1604-L1606 PolarHBondContact O-N 2.85Å; L1606-R1629 HydrophobicContact CB-CB 4.36Å; L1606-R1629 WeakPolarHBondContact CD1-O 3.23Å; L1606-A1630 HydrophobicContact CB-CB 4.36Å |
| 1607 | V | 81.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | trans | -74.1 | 139.3 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | P1604 V1625 N1626 T1627 A1630 Y1677 V1682 | P1604-V1607 WeakPolarHBondContact O-CB 3.4Å; P1604-V1607 PolarHBondContact O-N 2.85Å; V1607-V1625 HydrophobicContact CG1-CG1 3.38Å; V1607-N1626 WeakPolarHBondContact CA-O 3.46Å; V1607-T1627 HydrophobicContact CG1-CG2 3.96Å; V1607-T1627 HydrophobicContact CG2-CG2 4.18Å; V1607-A1630 HydrophobicContact CG2-CB 3.51Å; V1607-Y1677 HydrophobicContact CG2-CD1 3.85Å; V1607-Y1677 HydrophobicContact CG2-CD2 4.05Å; V1607-Y1677 HydrophobicContact CG2-CE1 4.26Å; V1607-Y1677 HydrophobicContact CG2-CE2 4.44Å; V1607-Y1677 HydrophobicContact CG2-CG 3.73Å; V1607-V1682 HydrophobicContact CB-CG1 3.72Å; V1607-V1682 HydrophobicContact CB-CG2 3.94Å; V1607-V1682 HydrophobicContact CG1-CG1 3.76Å; V1607-V1682 HydrophobicContact CG1-CG2 4.06Å; V1607-V1682 HydrophobicContact CG2-CG2 4.16Å | ||
| 1608 | R | 76.3 | Confident | 78.8 | Confident | 149 Ų | 149 | 45 Ų | 45 | 56% | 0.562 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.5 | -179 | -70 | -69 | 176 | -86.5 | -0.6 | 112 | D1605 V1610 V1625 N1626 | D1605-R1608 PolarHBondContact O-NH1 2.81Å; D1605-R1608 PolarHBondContact O-NH2 2.78Å; D1605-R1608 VanDerWaalsContact O-NH2 3.15Å; R1608-V1610 PolarHBondContact O-N 2.85Å; R1608-V1625 CarbonylContact O-C 3.42Å; R1608-V1625 WeakPolarHBondContact O-CA 3.42Å; R1608-N1626 PolarHBondContact N-O 2.82Å; R1608-N1626 PolarHBondContact O-N 2.73Å |
| 1609 | I | 77.4 | Confident | 78.2 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122 | 166.7 | -61.4 | 176.2 | 0 | 0 | 0 | 107.8 | V1623 K1624 L1673 I1675 L1683 M1687 L1848 | I1609-V1623 HydrophobicContact CG2-CG1 3.78Å; I1609-K1624 CarbonylContact C-O 3.55Å; I1609-K1624 WeakPolarHBondContact CA-O 3.46Å; I1609-L1673 HydrophobicContact CD1-CD2 4.21Å; I1609-I1675 HydrophobicContact CD1-CD1 3.64Å; I1609-I1675 HydrophobicContact CG1-CD1 3.73Å; I1609-L1683 HydrophobicContact CD1-CD1 4.23Å; I1609-M1687 HydrophobicContact CD1-CB 4.46Å; I1609-M1687 HydrophobicContact CD1-SD 3.46Å; I1609-M1687 WeakPolarHBondContact CD1-SD 3.34Å; I1609-M1687 HydrophobicContact CG2-SD 4.35Å; I1609-L1848 HydrophobicContact CG2-CD1 4.36Å; I1609-L1848 HydrophobicContact CG2-CD2 4.47Å |
| 1610 | V | 74.2 | Confident | 77.9 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -43.7 | -177.5 | -168.5 | 0 | 0 | 0 | 0 | 110.8 | R1608 K1624 N1626 | R1608-V1610 PolarHBondContact O-N 2.85Å; V1610-K1624 HydrophobicContact CB-CB 4.18Å; V1610-K1624 PolarHBondContact N-O 2.67Å; V1610-N1626 HydrophobicContact CG2-CB 3.55Å |
| 1611 | K | 74.2 | Confident | 77.7 | Confident | 89 Ų | 89 | 49 Ų | 49 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.8 | -170.7 | -162.1 | -160.9 | -176.4 | -151.2 | 0 | 110.1 | D1613 V1623 K1624 | K1611-D1613 VanDerWaalsContact CE-OD1 3.23Å; K1611-D1613 WeakPolarHBondContact CE-OD1 3.37Å; K1611-D1613 IonicContact NZ-OD1 3.58Å; K1611-D1613 PolarHBondContact NZ-OD1 2.75Å; K1611-D1613 IonicContact NZ-OD2 3.81Å; K1611-V1623 CarbonylContact O-C 3.44Å; K1611-V1623 VanDerWaalsContact O-CA 3.31Å; K1611-V1623 WeakPolarHBondContact O-CA 3.42Å; K1611-V1623 WeakPolarHBondContact O-CG1 3.43Å; K1611-K1624 HydrophobicContact CB-CB 4.02Å; K1611-K1624 HydrophobicContact CD-CD 4.5Å; K1611-K1624 PolarHBondContact N-O 3.08Å; K1611-K1624 PolarHBondContact O-N 2.81Å |
| 1612 | L | 74.8 | Confident | 77.6 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.1 | 164 | 171.8 | 64.9 | 0 | 0 | 0 | 107.5 | V1615 V1623 M1687 F1689 N1830 | L1612-V1615 HydrophobicContact CD1-CG2 4.25Å; L1612-V1623 HydrophobicContact CB-CG1 4.48Å; L1612-V1623 HydrophobicContact CD1-CB 4.47Å; L1612-V1623 HydrophobicContact CD1-CG1 4.3Å; L1612-V1623 HydrophobicContact CD1-CG2 3.76Å; L1612-M1687 HydrophobicContact CB-CE 4.43Å; L1612-M1687 HydrophobicContact CD2-CE 3.73Å; L1612-F1689 HydrophobicContact CD2-CB 3.51Å; L1612-F1689 HydrophobicContact CD2-CG 4.05Å; L1612-N1830 HydrophobicContact CD2-CB 3.98Å |
| 1613 | D | 70.2 | Confident | 77.4 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | trans | -71.3 | 161.7 | 176.4 | -79.7 | -38.5 | 0 | 0 | 0 | 112.9 | K1611 V1615 S1622 | K1611-D1613 VanDerWaalsContact CE-OD1 3.23Å; K1611-D1613 WeakPolarHBondContact CE-OD1 3.37Å; K1611-D1613 IonicContact NZ-OD1 3.58Å; K1611-D1613 PolarHBondContact NZ-OD1 2.75Å; K1611-D1613 IonicContact NZ-OD2 3.81Å; D1613-V1615 PolarHBondContact O-N 2.94Å; D1613-S1622 PolarHBondContact N-O 2.9Å; D1613-S1622 WeakPolarHBondContact OD2-CB 3.49Å; D1613-S1622 PolarHBondContact OD2-OG 3.18Å | ||
| 1614 | R | 69.2 | Low | 77.2 | Confident | 89 Ų | 89 | 50 Ų | 50 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | trans | -63.5 | 101.6 | 169.2 | -176.6 | -168.3 | -176.5 | -160.9 | 1.3 | 108.3 | V1616 E1692 E1695 | R1614-V1616 HydrophobicContact CG-CG2 4.05Å; R1614-V1616 PolarHBondContact O-N 2.84Å; R1614-E1692 IonicContact CZ-OE2 3.59Å; R1614-E1692 IonicContact NE-OE1 3.82Å; R1614-E1692 PolarHBondContact NE-OE1 3.02Å; R1614-E1692 IonicContact NE-OE2 3.83Å; R1614-E1692 PolarHBondContact NE-OE2 2.75Å; R1614-E1692 IonicContact NH2-OE2 2.65Å; R1614-E1692 PolarHBondContact NH2-OE2 2.9Å; R1614-E1695 IonicContact CZ-OE2 3.09Å; R1614-E1695 IonicContact NH1-OE2 2.66Å; R1614-E1695 PolarHBondContact NH1-OE2 3.47Å; R1614-E1695 IonicContact NH2-OE1 2.77Å; R1614-E1695 IonicContact NH2-OE2 3.13Å; R1614-E1695 PolarHBondContact NH2-OE2 3.19Å | ||
| 1615 | V | 73.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 119.1 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | L1612 D1613 A1621 F1663 T1665 F1689 A1691 E1692 | L1612-V1615 HydrophobicContact CD1-CG2 4.25Å; D1613-V1615 PolarHBondContact O-N 2.94Å; V1615-A1621 HydrophobicContact CB-CB 4.26Å; V1615-A1621 HydrophobicContact CG1-CB 4.08Å; V1615-A1621 HydrophobicContact CG2-CB 3.89Å; V1615-F1663 HydrophobicContact CG1-CE2 3.94Å; V1615-F1663 HydrophobicContact CG1-CZ 4.27Å; V1615-F1663 HydrophobicContact CG2-CE2 4.35Å; V1615-F1663 HydrophobicContact CG2-CZ 3.84Å; V1615-T1665 HydrophobicContact CG1-CG2 3.64Å; V1615-F1689 HydrophobicContact CB-CD2 4.4Å; V1615-F1689 HydrophobicContact CB-CE2 4.33Å; V1615-F1689 HydrophobicContact CG1-CE2 4.19Å; V1615-F1689 HydrophobicContact CG2-CD2 3.71Å; V1615-F1689 HydrophobicContact CG2-CE2 3.72Å; V1615-A1691 HydrophobicContact CB-CB 4.31Å; V1615-A1691 HydrophobicContact CG1-CB 3.75Å; V1615-A1691 WeakPolarHBondContact O-CA 3.15Å; V1615-E1692 PolarHBondContact O-N 3.34Å |
| 1616 | V | 75.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.3 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | R1614 G1618 K1619 E1692 A1694 | R1614-V1616 HydrophobicContact CG-CG2 4.05Å; R1614-V1616 PolarHBondContact O-N 2.84Å; V1616-G1618 PolarHBondContact O-N 2.87Å; V1616-K1619 HydrophobicContact CB-CB 4.42Å; V1616-K1619 HydrophobicContact CB-CD 4.15Å; V1616-K1619 HydrophobicContact CB-CG 4.42Å; V1616-K1619 HydrophobicContact CG1-CD 4.2Å; V1616-K1619 HydrophobicContact CG1-CG 4.47Å; V1616-K1619 WeakPolarHBondContact O-CB 3.46Å; V1616-K1619 PolarHBondContact O-N 3.02Å; V1616-E1692 CarbonylContact C-O 3.58Å; V1616-E1692 WeakPolarHBondContact CA-O 3.48Å; V1616-A1694 HydrophobicContact CG1-CB 4.04Å |
| 1617 | V | 74.8 | Confident | 77.8 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.2 | -177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | K1619 K1667 V1668 A1691 E1692 | V1617-K1619 VanDerWaalsContact C-N 3.25Å; V1617-K1619 PolarHBondContact O-N 3.44Å; V1617-K1667 VanDerWaalsContact CG2-O 3.23Å; V1617-K1667 WeakPolarHBondContact CG2-O 3.44Å; V1617-V1668 HydrophobicContact CB-CG2 4.48Å; V1617-V1668 HydrophobicContact CG2-CB 4.3Å; V1617-V1668 HydrophobicContact CG2-CG2 3.71Å; V1617-A1691 HydrophobicContact CG2-CB 4.16Å; V1617-E1692 PolarHBondContact N-O 3.12Å |
| 1618 | G | 66.3 | Low | 77.9 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 55% | 0.546 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1616 T1665 | V1616-G1618 PolarHBondContact O-N 2.87Å; G1618-T1665 PolarHBondContact N-O 2.87Å |
| 1619 | K | 73.8 | Confident | 78.1 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -115.9 | 146.5 | 170.9 | -60.1 | -172.6 | -177.5 | 175.4 | 0 | 110.9 | V1616 V1617 | V1616-K1619 HydrophobicContact CB-CB 4.42Å; V1616-K1619 HydrophobicContact CB-CD 4.15Å; V1616-K1619 HydrophobicContact CB-CG 4.42Å; V1616-K1619 HydrophobicContact CG1-CD 4.2Å; V1616-K1619 HydrophobicContact CG1-CG 4.47Å; V1616-K1619 WeakPolarHBondContact O-CB 3.46Å; V1616-K1619 PolarHBondContact O-N 3.02Å; V1617-K1619 VanDerWaalsContact C-N 3.25Å; V1617-K1619 PolarHBondContact O-N 3.44Å |
| 1620 | E | 80 | Confident | 78.4 | Confident | 120 Ų | 120 | 47.7 Ų | 47.7 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.5 | 168.8 | -172.9 | -179 | -168.9 | 0 | 0 | 109.4 | R1662 | E1620-R1662 WeakPolarHBondContact OE1-CD 3.39Å; E1620-R1662 IonicContact OE1-NH1 3.99Å |
| 1621 | A | 82.1 | Confident | 78.5 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1615 R1662 F1663 | V1615-A1621 HydrophobicContact CB-CB 4.26Å; V1615-A1621 HydrophobicContact CG1-CB 4.08Å; V1615-A1621 HydrophobicContact CG2-CB 3.89Å; A1621-R1662 WeakPolarHBondContact O-CA 3.4Å; A1621-F1663 HydrophobicContact CB-CE1 4.14Å; A1621-F1663 HydrophobicContact CB-CE2 4.23Å; A1621-F1663 HydrophobicContact CB-CZ 3.89Å; A1621-F1663 PolarHBondContact N-O 3.3Å; A1621-F1663 PolarHBondContact O-N 3.01Å; A1621-F1663 VanDerWaalsContact O-N 3.12Å |
| 1622 | S | 84.4 | Confident | 78.8 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.2 | -180 | 87.8 | 0 | 0 | 0 | 0 | 113.5 | D1613 L1661 | D1613-S1622 PolarHBondContact N-O 2.9Å; D1613-S1622 WeakPolarHBondContact OD2-CB 3.49Å; D1613-S1622 PolarHBondContact OD2-OG 3.18Å; S1622-L1661 CarbonylContact C-O 3.53Å; S1622-L1661 VanDerWaalsContact CA-O 3.27Å; S1622-L1661 WeakPolarHBondContact CA-O 3.5Å |
| 1623 | V | 84.7 | Confident | 79 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.5 | 168 | -155.7 | 0 | 0 | 0 | 0 | 108.4 | I1609 K1611 L1612 L1661 F1663 L1673 | I1609-V1623 HydrophobicContact CG2-CG1 3.78Å; K1611-V1623 CarbonylContact O-C 3.44Å; K1611-V1623 VanDerWaalsContact O-CA 3.31Å; K1611-V1623 WeakPolarHBondContact O-CA 3.42Å; K1611-V1623 WeakPolarHBondContact O-CG1 3.43Å; L1612-V1623 HydrophobicContact CB-CG1 4.48Å; L1612-V1623 HydrophobicContact CD1-CB 4.47Å; L1612-V1623 HydrophobicContact CD1-CG1 4.3Å; L1612-V1623 HydrophobicContact CD1-CG2 3.76Å; V1623-L1661 HydrophobicContact CB-CB 4.09Å; V1623-L1661 HydrophobicContact CB-CD1 4.29Å; V1623-L1661 HydrophobicContact CG2-CB 4.3Å; V1623-L1661 PolarHBondContact N-O 2.79Å; V1623-L1661 PolarHBondContact O-N 3.41Å; V1623-F1663 HydrophobicContact CG2-CD1 4.38Å; V1623-F1663 HydrophobicContact CG2-CE1 3.72Å; V1623-L1673 HydrophobicContact CB-CD2 4.46Å; V1623-L1673 HydrophobicContact CG1-CD2 3.93Å; V1623-L1673 HydrophobicContact CG2-CD2 4.11Å |
| 1624 | K | 84.1 | Confident | 79.2 | Confident | 48 Ų | 48 | 50 Ų | 50 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.7 | 174.9 | -79.4 | 177.9 | 146.9 | -84.9 | 0 | 111 | I1609 V1610 K1611 E1658 D1659 E1660 | I1609-K1624 CarbonylContact C-O 3.55Å; I1609-K1624 WeakPolarHBondContact CA-O 3.46Å; V1610-K1624 HydrophobicContact CB-CB 4.18Å; V1610-K1624 PolarHBondContact N-O 2.67Å; K1611-K1624 HydrophobicContact CB-CB 4.02Å; K1611-K1624 HydrophobicContact CD-CD 4.5Å; K1611-K1624 PolarHBondContact N-O 3.08Å; K1611-K1624 PolarHBondContact O-N 2.81Å; K1624-E1658 IonicContact NZ-OE2 2.69Å; K1624-E1658 PolarHBondContact NZ-OE2 2.93Å; K1624-D1659 CarbonylContact C-O 3.57Å; K1624-D1659 WeakPolarHBondContact CA-O 3.48Å; K1624-E1660 WeakPolarHBondContact CE-OE2 3.33Å; K1624-E1660 HydrophobicContact CG-CB 4.41Å; K1624-E1660 HydrophobicContact CG-CG 4.19Å |
| 1625 | V | 85.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 109.6 | -172 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | V1607 R1608 T1627 L1635 G1657 D1659 L1661 I1675 | V1607-V1625 HydrophobicContact CG1-CG1 3.38Å; R1608-V1625 CarbonylContact O-C 3.42Å; R1608-V1625 WeakPolarHBondContact O-CA 3.42Å; V1625-T1627 HydrophobicContact CG1-CG2 4.09Å; V1625-T1627 PolarHBondContact O-N 2.6Å; V1625-L1635 HydrophobicContact CB-CD2 4.42Å; V1625-L1635 HydrophobicContact CG1-CD1 4.35Å; V1625-L1635 HydrophobicContact CG1-CD2 4.47Å; V1625-G1657 VanDerWaalsContact O-O 3.09Å; V1625-D1659 PolarHBondContact N-O 3.24Å; V1625-D1659 PolarHBondContact O-N 2.79Å; V1625-L1661 HydrophobicContact CG2-CD1 3.73Å; V1625-L1661 HydrophobicContact CG2-CG 3.97Å; V1625-I1675 HydrophobicContact CG2-CD1 3.9Å |
| 1626 | N | 83.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.9 | 176.3 | -163 | -66.9 | 0 | 0 | 0 | 110.4 | V1607 R1608 V1610 S1628 G1657 | V1607-N1626 WeakPolarHBondContact CA-O 3.46Å; R1608-N1626 PolarHBondContact N-O 2.82Å; R1608-N1626 PolarHBondContact O-N 2.73Å; V1610-N1626 HydrophobicContact CG2-CB 3.55Å; N1626-S1628 VanDerWaalsContact OD1-CB 3.29Å; N1626-S1628 WeakPolarHBondContact OD1-CB 3.42Å; N1626-S1628 PolarHBondContact OD1-N 2.89Å; N1626-S1628 VanDerWaalsContact OD1-N 3.15Å; N1626-S1628 PolarHBondContact OD1-OG 2.83Å; N1626-G1657 CarbonylContact C-O 3.6Å; N1626-G1657 VanDerWaalsContact CA-O 3.27Å; N1626-G1657 WeakPolarHBondContact CA-O 3.48Å |
| 1627 | T | 86.7 | Confident | 80.5 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | trans | -113.9 | 1.9 | 178.1 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | V1607 V1625 R1629 A1630 G1657 D1659 Y1677 | V1607-T1627 HydrophobicContact CG1-CG2 3.96Å; V1607-T1627 HydrophobicContact CG2-CG2 4.18Å; V1625-T1627 HydrophobicContact CG1-CG2 4.09Å; V1625-T1627 PolarHBondContact O-N 2.6Å; T1627-R1629 VanDerWaalsContact C-N 3.29Å; T1627-R1629 PolarHBondContact O-N 3.48Å; T1627-R1629 VanDerWaalsContact O-N 3.13Å; T1627-A1630 VanDerWaalsContact O-CB 3.31Å; T1627-A1630 WeakPolarHBondContact O-CB 3.3Å; T1627-A1630 PolarHBondContact O-N 2.89Å; T1627-G1657 PolarHBondContact N-O 3.38Å; T1627-G1657 PolarHBondContact OG1-O 2.76Å; T1627-D1659 VanDerWaalsContact CG2-OD2 3.26Å; T1627-D1659 WeakPolarHBondContact CG2-OD2 3.42Å; T1627-D1659 PolarHBondContact OG1-OD2 2.8Å; T1627-Y1677 HydrophobicContact CG2-CD2 4.05Å; T1627-Y1677 HydrophobicContact CG2-CE2 3.47Å; T1627-Y1677 VanDerWaalsContact CG2-CE2 3.47Å | ||
| 1628 | S | 82.8 | Confident | 81 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -41.3 | -174 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | N1626 E1656 | N1626-S1628 VanDerWaalsContact OD1-CB 3.29Å; N1626-S1628 WeakPolarHBondContact OD1-CB 3.42Å; N1626-S1628 PolarHBondContact OD1-N 2.89Å; N1626-S1628 VanDerWaalsContact OD1-N 3.15Å; N1626-S1628 PolarHBondContact OD1-OG 2.83Å; S1628-E1656 WeakPolarHBondContact CB-O 3.47Å |
| 1629 | R | 82 | Confident | 82 | Confident | 199 Ų | 199 | 50.4 Ų | 50.4 | 75% | 0.751 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.2 | -179.4 | -61.7 | -174.7 | -176.6 | -168.7 | 1 | 113.8 | L1606 T1627 G1631 | L1606-R1629 HydrophobicContact CB-CB 4.36Å; L1606-R1629 WeakPolarHBondContact CD1-O 3.23Å; T1627-R1629 VanDerWaalsContact C-N 3.29Å; T1627-R1629 PolarHBondContact O-N 3.48Å; T1627-R1629 VanDerWaalsContact O-N 3.13Å; R1629-G1631 VanDerWaalsContact C-N 3.33Å |
| 1630 | A | 84.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1578 F1602 N1603 L1606 V1607 T1627 Y1677 | V1578-A1630 WeakPolarHBondContact CG1-O 3.44Å; F1602-A1630 CarbonylContact C-O 3.58Å; F1602-A1630 WeakPolarHBondContact CA-O 3.12Å; F1602-A1630 VanDerWaalsContact CB-O 3.31Å; F1602-A1630 WeakPolarHBondContact CB-O 3.33Å; N1603-A1630 PolarHBondContact N-O 3.1Å; N1603-A1630 VanDerWaalsContact O-CB 3.32Å; N1603-A1630 WeakPolarHBondContact O-CB 3.33Å; L1606-A1630 HydrophobicContact CB-CB 4.36Å; V1607-A1630 HydrophobicContact CG2-CB 3.51Å; T1627-A1630 VanDerWaalsContact O-CB 3.31Å; T1627-A1630 WeakPolarHBondContact O-CB 3.3Å; T1627-A1630 PolarHBondContact O-N 2.89Å; A1630-Y1677 HydrophobicContact CB-CD1 4.24Å; A1630-Y1677 HydrophobicContact CB-CE1 3.72Å |
| 1631 | G | 74.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | trans | 72.6 | 157.1 | -169 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1629 A1633 Y1677 | R1629-G1631 VanDerWaalsContact C-N 3.33Å; G1631-A1633 PolarHBondContact O-N 2.92Å; G1631-Y1677 VanDerWaalsContact O-CE1 3.23Å; G1631-Y1677 WeakPolarHBondContact O-CE1 3.44Å; G1631-Y1677 PolarHBondContact O-OH 3.01Å | ||
| 1632 | K | 80.1 | Confident | 82.2 | Confident | 155 Ų | 155 | 42.3 Ų | 42.3 | 67% | 0.674 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -75.6 | 113.1 | -162.8 | -67.7 | 179 | 176.8 | 178.6 | 0 | 113.4 | I1600 | I1600-K1632 HydrophobicContact CG2-CB 4.11Å; I1600-K1632 WeakPolarHBondContact CG2-O 3.32Å |
| 1633 | A | 79.6 | Confident | 81.8 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | trans | -139.1 | 167.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1602 G1631 L1635 R1653 Y1677 | F1602-A1633 HydrophobicContact CB-CB 4.1Å; F1602-A1633 HydrophobicContact CD1-CB 3.68Å; F1602-A1633 HydrophobicContact CD2-CB 3.64Å; F1602-A1633 HydrophobicContact CE1-CB 3.9Å; F1602-A1633 HydrophobicContact CE2-CB 3.87Å; F1602-A1633 HydrophobicContact CG-CB 3.54Å; F1602-A1633 HydrophobicContact CZ-CB 3.99Å; G1631-A1633 PolarHBondContact O-N 2.92Å; A1633-L1635 PolarHBondContact O-N 3.29Å; A1633-R1653 PolarHBondContact O-NH1 2.8Å; A1633-R1653 PolarHBondContact O-NH2 3.38Å; A1633-Y1677 HydrophobicContact CB-CD1 3.96Å; A1633-Y1677 HydrophobicContact CB-CE1 3.72Å; A1633-Y1677 PolarHBondContact N-OH 2.81Å; A1633-Y1677 VanDerWaalsContact O-CE2 3.3Å; A1633-Y1677 WeakPolarHBondContact O-CE2 3.31Å; A1633-Y1677 VanDerWaalsContact O-CZ 3.26Å; A1633-Y1677 PolarHBondContact O-OH 2.89Å | ||
| 1634 | D | 75 | Confident | 81.1 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | trans | -68.7 | 127 | -178.1 | -72.8 | -27.9 | 0 | 0 | 0 | 111.7 | Y1677 G1678 | D1634-Y1677 CarbonylContact O-C 3.57Å; D1634-Y1677 WeakPolarHBondContact O-CA 3.46Å; D1634-G1678 PolarHBondContact O-N 2.82Å | ||
| 1635 | L | 82.4 | Confident | 80.3 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.6 | 172.3 | -180 | 68.8 | 0 | 0 | 0 | 109.3 | V1625 A1633 V1651 D1659 L1661 I1675 Y1677 | V1625-L1635 HydrophobicContact CB-CD2 4.42Å; V1625-L1635 HydrophobicContact CG1-CD1 4.35Å; V1625-L1635 HydrophobicContact CG1-CD2 4.47Å; A1633-L1635 PolarHBondContact O-N 3.29Å; L1635-V1651 HydrophobicContact CB-CG1 4.3Å; L1635-V1651 HydrophobicContact CD2-CG1 3.96Å; L1635-V1651 HydrophobicContact CG-CG1 4.13Å; L1635-D1659 HydrophobicContact CD2-CB 3.36Å; L1635-L1661 HydrophobicContact CD2-CD2 4.05Å; L1635-L1661 HydrophobicContact CG-CD2 4.49Å; L1635-I1675 HydrophobicContact CD1-CG2 3.49Å; L1635-I1675 VanDerWaalsContact CD1-CG2 3.49Å; L1635-Y1677 HydrophobicContact CB-CD2 3.92Å; L1635-Y1677 HydrophobicContact CB-CE2 4.05Å; L1635-Y1677 HydrophobicContact CD1-CD2 3.81Å; L1635-Y1677 HydrophobicContact CD1-CE2 4.49Å; L1635-Y1677 HydrophobicContact CG-CD2 4.47Å |
| 1636 | T | 79.6 | Confident | 79.8 | Confident | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.9 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | N1676 | T1636-N1676 PolarHBondContact N-O 2.69Å; T1636-N1676 PolarHBondContact O-N 3.19Å; T1636-N1676 VanDerWaalsContact O-O 3.12Å; T1636-N1676 WeakPolarHBondContact OG1-CB 3.45Å; T1636-N1676 PolarHBondContact OG1-O 3.21Å |
| 1637 | A | 84.6 | Confident | 79.8 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1649 L1661 L1673 T1674 I1675 | A1637-V1649 HydrophobicContact CB-CG1 4.24Å; A1637-L1661 HydrophobicContact CB-CD1 3.52Å; A1637-L1661 HydrophobicContact CB-CD2 3.77Å; A1637-L1661 HydrophobicContact CB-CG 4.23Å; A1637-L1673 HydrophobicContact CB-CD1 4.13Å; A1637-T1674 CarbonylContact C-O 3.54Å; A1637-T1674 VanDerWaalsContact CA-O 3.26Å; A1637-T1674 WeakPolarHBondContact CA-O 3.47Å; A1637-I1675 HydrophobicContact CB-CG1 4.37Å |
| 1638 | E | 84.3 | Confident | 79.3 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.5 | 179.6 | -165.7 | 159.1 | -109.4 | 0 | 0 | 107.7 | K1494 L1673 T1674 | K1494-E1638 IonicContact NZ-OE1 2.6Å; K1494-E1638 PolarHBondContact NZ-OE1 2.98Å; E1638-L1673 WeakPolarHBondContact O-CA 3.45Å; E1638-T1674 PolarHBondContact N-O 3.31Å; E1638-T1674 PolarHBondContact O-N 3.22Å |
| 1639 | V | 87.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.5 | 173.1 | 169.6 | 0 | 0 | 0 | 0 | 107.7 | P1646 I1647 V1649 F1663 T1672 L1673 F1689 | V1639-P1646 CarbonylContact O-C 3.6Å; V1639-P1646 VanDerWaalsContact O-CA 3.29Å; V1639-P1646 WeakPolarHBondContact O-CA 3.32Å; V1639-I1647 HydrophobicContact CB-CB 4.33Å; V1639-I1647 HydrophobicContact CG1-CB 4.14Å; V1639-I1647 HydrophobicContact CG1-CD1 3.96Å; V1639-I1647 HydrophobicContact CG1-CG1 4.22Å; V1639-I1647 PolarHBondContact O-N 2.83Å; V1639-V1649 HydrophobicContact CB-CG2 3.84Å; V1639-V1649 HydrophobicContact CG2-CG2 3.73Å; V1639-F1663 HydrophobicContact CG1-CD2 4.07Å; V1639-F1663 HydrophobicContact CG1-CE2 4.28Å; V1639-F1663 HydrophobicContact CG1-CG 4.45Å; V1639-F1663 HydrophobicContact CG2-CD1 4.07Å; V1639-F1663 HydrophobicContact CG2-CD2 4.5Å; V1639-F1663 HydrophobicContact CG2-CE1 4.4Å; V1639-F1663 HydrophobicContact CG2-CG 4.14Å; V1639-T1672 CarbonylContact C-O 3.55Å; V1639-T1672 VanDerWaalsContact CA-O 3.24Å; V1639-T1672 WeakPolarHBondContact CA-O 3.43Å; V1639-L1673 HydrophobicContact CG2-CB 4.39Å; V1639-L1673 HydrophobicContact CG2-CD1 3.81Å; V1639-F1689 HydrophobicContact CG1-CE1 4.21Å; V1639-F1689 HydrophobicContact CG1-CZ 3.78Å |
| 1640 | A | 82 | Confident | 79.4 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1645 H1671 T1672 | A1640-L1645 CarbonylContact C-O 3.53Å; A1640-L1645 VanDerWaalsContact CA-O 3.24Å; A1640-L1645 WeakPolarHBondContact CA-O 3.36Å; A1640-H1671 VanDerWaalsContact O-CA 3.29Å; A1640-H1671 WeakPolarHBondContact O-CA 3.27Å; A1640-H1671 WeakPolarHBondContact O-CB 3.41Å; A1640-T1672 PolarHBondContact N-O 2.94Å; A1640-T1672 PolarHBondContact O-N 2.71Å |
| 1641 | D | 83.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | trans | -79.5 | 178.8 | -178.2 | 85.1 | 9.3 | 0 | 0 | 0 | 112.8 | D1643 G1644 L1645 I1647 K1667 | D1641-D1643 PolarHBondContact O-N 2.74Å; D1641-D1643 WeakPolarHBondContact OD1-CA 3.1Å; D1641-D1643 PolarHBondContact OD1-N 2.64Å; D1641-G1644 PolarHBondContact O-N 2.61Å; D1641-G1644 PolarHBondContact OD1-N 3.5Å; D1641-L1645 PolarHBondContact N-O 3.19Å; D1641-L1645 PolarHBondContact OD1-N 2.85Å; D1641-L1645 VanDerWaalsContact OD1-N 3.11Å; D1641-I1647 HydrophobicContact CB-CD1 3.91Å; D1641-I1647 HydrophobicContact CB-CG1 4.11Å; D1641-K1667 HydrophobicContact CB-CD 4.34Å; D1641-K1667 IonicContact OD1-NZ 2.99Å; D1641-K1667 WeakPolarHBondContact OD2-CD 3.49Å; D1641-K1667 WeakPolarHBondContact OD2-CE 3.36Å; D1641-K1667 IonicContact OD2-NZ 2.68Å; D1641-K1667 PolarHBondContact OD2-NZ 2.69Å | ||
| 1642 | P | 74.4 | Confident | 79.6 | Confident | 51 Ų | 51 | 62 Ų | 62 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.4 | -177.6 | -21.2 | 32.1 | 0 | 0 | 0 | 115.7 | K1667 Q1670 | P1642-K1667 HydrophobicContact CG-CB 4.08Å; P1642-Q1670 WeakPolarHBondContact CA-O 3.49Å; P1642-Q1670 WeakPolarHBondContact CB-O 3.19Å; P1642-Q1670 VanDerWaalsContact CG-O 3.3Å; P1642-Q1670 WeakPolarHBondContact CG-O 3.36Å |
| 1643 | D | 76.7 | Confident | 79.6 | Confident | 121 Ų | 121 | 59.8 Ų | 59.8 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.5 | 174.7 | -58.8 | -44 | 0 | 0 | 0 | 111.8 | D1641 K1667 | D1641-D1643 PolarHBondContact O-N 2.74Å; D1641-D1643 WeakPolarHBondContact OD1-CA 3.1Å; D1641-D1643 PolarHBondContact OD1-N 2.64Å; D1643-K1667 WeakPolarHBondContact OD2-CE 2.8Å; D1643-K1667 IonicContact OD2-NZ 3.3Å; D1643-K1667 PolarHBondContact OD2-NZ 2.84Å |
| 1644 | G | 68.5 | Low | 79.3 | Confident | 54 Ų | 54 | 62 Ų | 62 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 81.4 | 12.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1641 | D1641-G1644 PolarHBondContact O-N 2.61Å; D1641-G1644 PolarHBondContact OD1-N 3.5Å |
| 1645 | L | 68.6 | Low | 78.7 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | trans | -82.6 | 133.9 | 178 | -62 | 174.2 | 0 | 0 | 0 | 110.7 | A1640 D1641 | A1640-L1645 CarbonylContact C-O 3.53Å; A1640-L1645 VanDerWaalsContact CA-O 3.24Å; A1640-L1645 WeakPolarHBondContact CA-O 3.36Å; D1641-L1645 PolarHBondContact N-O 3.19Å; D1641-L1645 PolarHBondContact OD1-N 2.85Å; D1641-L1645 VanDerWaalsContact OD1-N 3.11Å | ||
| 1646 | P | 74.9 | Confident | 78.1 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 143.3 | 178.4 | 26.8 | -33.8 | 0 | 0 | 0 | 112.2 | V1639 | V1639-P1646 CarbonylContact O-C 3.6Å; V1639-P1646 VanDerWaalsContact O-CA 3.29Å; V1639-P1646 WeakPolarHBondContact O-CA 3.32Å |
| 1647 | I | 83.8 | Confident | 77.6 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.9 | 174.4 | -52.1 | -174.1 | 0 | 0 | 0 | 107.6 | V1639 D1641 V1649 F1663 L1664 | V1639-I1647 HydrophobicContact CB-CB 4.33Å; V1639-I1647 HydrophobicContact CG1-CB 4.14Å; V1639-I1647 HydrophobicContact CG1-CD1 3.96Å; V1639-I1647 HydrophobicContact CG1-CG1 4.22Å; V1639-I1647 PolarHBondContact O-N 2.83Å; D1641-I1647 HydrophobicContact CB-CD1 3.91Å; D1641-I1647 HydrophobicContact CB-CG1 4.11Å; I1647-V1649 WeakPolarHBondContact O-CG2 3.29Å; I1647-V1649 PolarHBondContact O-N 2.81Å; I1647-F1663 HydrophobicContact CG2-CB 4.3Å; I1647-L1664 WeakPolarHBondContact CG2-O 3.26Å |
| 1648 | D | 76.1 | Confident | 77.4 | Confident | 155 Ų | 155 | 67.9 Ų | 67.9 | 83% | 0.829 | 36% | 0.364 | S | S | * | . | trans | -58 | 133.3 | 174.4 | -72.4 | -44.8 | 0 | 0 | 0 | 111.7 | F1663 | D1648-F1663 WeakPolarHBondContact O-CB 3.12Š| ||
| 1649 | V | 83.2 | Confident | 77.3 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | trans | -122.8 | 117.9 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 110 | A1637 V1639 I1647 L1661 R1662 F1663 | A1637-V1649 HydrophobicContact CB-CG1 4.24Å; V1639-V1649 HydrophobicContact CB-CG2 3.84Å; V1639-V1649 HydrophobicContact CG2-CG2 3.73Å; I1647-V1649 WeakPolarHBondContact O-CG2 3.29Å; I1647-V1649 PolarHBondContact O-N 2.81Å; V1649-L1661 HydrophobicContact CG1-CB 3.98Å; V1649-R1662 CarbonylContact C-O 3.56Å; V1649-R1662 VanDerWaalsContact CA-O 3.29Å; V1649-R1662 WeakPolarHBondContact CA-O 3.35Å; V1649-F1663 HydrophobicContact CG2-CB 4.42Å | ||
| 1650 | E | 83.4 | Confident | 77.3 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.6 | 168.1 | -175.2 | 176.8 | -138.9 | 0 | 0 | 109.7 | L1652 L1661 R1662 | E1650-L1652 HydrophobicContact CG-CD2 3.93Å; E1650-L1652 HydrophobicContact CG-CG 4.25Å; E1650-L1661 CarbonylContact O-C 3.56Å; E1650-L1661 WeakPolarHBondContact O-CA 3.42Å; E1650-R1662 HydrophobicContact CB-CB 4.41Å; E1650-R1662 PolarHBondContact N-O 2.65Å; E1650-R1662 PolarHBondContact O-N 3.24Å |
| 1651 | V | 84 | Confident | 77.6 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.3 | 178.8 | -174 | 0 | 0 | 0 | 0 | 109.7 | L1635 R1653 L1661 | L1635-V1651 HydrophobicContact CB-CG1 4.3Å; L1635-V1651 HydrophobicContact CD2-CG1 3.96Å; L1635-V1651 HydrophobicContact CG-CG1 4.13Å; V1651-R1653 HydrophobicContact CG1-CG 4.29Å; V1651-L1661 HydrophobicContact CB-CD2 4.28Å; V1651-L1661 HydrophobicContact CG1-CD2 3.93Å; V1651-L1661 HydrophobicContact CG2-CD2 3.87Å |
| 1652 | L | 79.5 | Confident | 77.7 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.6 | 177 | -58.1 | 176.2 | 0 | 0 | 0 | 109.2 | E1650 D1659 E1660 R1662 | E1650-L1652 HydrophobicContact CG-CD2 3.93Å; E1650-L1652 HydrophobicContact CG-CG 4.25Å; L1652-D1659 CarbonylContact O-C 3.53Å; L1652-D1659 WeakPolarHBondContact O-CA 3.35Å; L1652-E1660 HydrophobicContact CB-CB 4.28Å; L1652-E1660 WeakPolarHBondContact CB-O 3.38Å; L1652-E1660 PolarHBondContact N-O 3.13Å; L1652-E1660 PolarHBondContact O-N 2.7Å; L1652-R1662 HydrophobicContact CD1-CG 4.26Å; L1652-R1662 VanDerWaalsContact CD1-CZ 3.43Å |
| 1653 | R | 79.6 | Confident | 78.4 | Confident | 110 Ų | 110 | 66 Ų | 66 | 42% | 0.415 | 35% | 0.345 | S | S | . | . | trans | -94.3 | 127.1 | -173.1 | -69.7 | -82.6 | -83.7 | 176 | -15 | 111.7 | A1633 V1651 D1659 | A1633-R1653 PolarHBondContact O-NH1 2.8Å; A1633-R1653 PolarHBondContact O-NH2 3.38Å; V1651-R1653 HydrophobicContact CG1-CG 4.29Å; R1653-D1659 WeakPolarHBondContact CA-OD1 3.42Å; R1653-D1659 WeakPolarHBondContact CD-OD1 3.41Å; R1653-D1659 IonicContact CZ-OD2 3.86Å; R1653-D1659 IonicContact NH1-OD1 2.63Å; R1653-D1659 IonicContact NH1-OD2 3.23Å; R1653-D1659 PolarHBondContact NH1-OD2 2.77Å | ||
| 1654 | D | 73.1 | Confident | 78.7 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | trans | -99.7 | 169 | 176.7 | 178.1 | 45.5 | 0 | 0 | 0 | 111.4 | E1656 G1657 E1658 D1659 | D1654-E1656 WeakPolarHBondContact OD2-CB 3.3Å; D1654-E1656 PolarHBondContact OD2-N 3.34Å; D1654-E1656 VanDerWaalsContact OD2-N 3.13Å; D1654-G1657 PolarHBondContact OD2-N 2.71Å; D1654-E1658 WeakPolarHBondContact CB-O 3.5Å; D1654-E1658 PolarHBondContact OD2-N 3.02Å; D1654-D1659 PolarHBondContact N-OD1 3Å | ||
| 1655 | Q | 63.8 | Low | 79.3 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -107.6 | -30 | -177.1 | -64.8 | -179.2 | 94.3 | 0 | 0 | 114.3 | S1027 P1028 G1657 | S1027-Q1655 VanDerWaalsContact C-NE2 3.29Å; S1027-Q1655 PolarHBondContact O-NE2 2.79Å; S1027-Q1655 PolarHBondContact O-OE1 2.84Å; P1028-Q1655 VanDerWaalsContact CD-CD 3.48Å; Q1655-G1657 VanDerWaalsContact C-N 3.26Å |
| 1656 | E | 69.5 | Low | 79.7 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -74.2 | -29.2 | 168.2 | -65.1 | 169.4 | -147 | 0 | 0 | 109.4 | S1628 D1654 | S1628-E1656 WeakPolarHBondContact CB-O 3.47Å; D1654-E1656 WeakPolarHBondContact OD2-CB 3.3Å; D1654-E1656 PolarHBondContact OD2-N 3.34Å; D1654-E1656 VanDerWaalsContact OD2-N 3.13Å |
| 1657 | G | 68.6 | Low | 79.2 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 119.5 | 12.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1625 N1626 T1627 D1654 Q1655 D1659 | V1625-G1657 VanDerWaalsContact O-O 3.09Å; N1626-G1657 CarbonylContact C-O 3.6Å; N1626-G1657 VanDerWaalsContact CA-O 3.27Å; N1626-G1657 WeakPolarHBondContact CA-O 3.48Å; T1627-G1657 PolarHBondContact N-O 3.38Å; T1627-G1657 PolarHBondContact OG1-O 2.76Å; D1654-G1657 PolarHBondContact OD2-N 2.71Å; Q1655-G1657 VanDerWaalsContact C-N 3.26Å; G1657-D1659 VanDerWaalsContact C-N 3.27Å; G1657-D1659 PolarHBondContact O-N 2.9Å; G1657-D1659 VanDerWaalsContact O-N 3.15Å |
| 1658 | E | 81.6 | Confident | 78.7 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 68.5 | 170.5 | -71.9 | -133.6 | 146.9 | 0 | 0 | 111.7 | K1624 D1654 | K1624-E1658 IonicContact NZ-OE2 2.69Å; K1624-E1658 PolarHBondContact NZ-OE2 2.93Å; D1654-E1658 WeakPolarHBondContact CB-O 3.5Å; D1654-E1658 PolarHBondContact OD2-N 3.02Å |
| 1659 | D | 81.9 | Confident | 78 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 142.8 | 174.6 | -63.7 | -34.1 | 0 | 0 | 0 | 110.5 | K1624 V1625 T1627 L1635 L1652 R1653 D1654 G1657 | K1624-D1659 CarbonylContact C-O 3.57Å; K1624-D1659 WeakPolarHBondContact CA-O 3.48Å; V1625-D1659 PolarHBondContact N-O 3.24Å; V1625-D1659 PolarHBondContact O-N 2.79Å; T1627-D1659 VanDerWaalsContact CG2-OD2 3.26Å; T1627-D1659 WeakPolarHBondContact CG2-OD2 3.42Å; T1627-D1659 PolarHBondContact OG1-OD2 2.8Å; L1635-D1659 HydrophobicContact CD2-CB 3.36Å; L1652-D1659 CarbonylContact O-C 3.53Å; L1652-D1659 WeakPolarHBondContact O-CA 3.35Å; R1653-D1659 WeakPolarHBondContact CA-OD1 3.42Å; R1653-D1659 WeakPolarHBondContact CD-OD1 3.41Å; R1653-D1659 IonicContact CZ-OD2 3.86Å; R1653-D1659 IonicContact NH1-OD1 2.63Å; R1653-D1659 IonicContact NH1-OD2 3.23Å; R1653-D1659 PolarHBondContact NH1-OD2 2.77Å; D1654-D1659 PolarHBondContact N-OD1 3Å; G1657-D1659 VanDerWaalsContact C-N 3.27Å; G1657-D1659 PolarHBondContact O-N 2.9Å; G1657-D1659 VanDerWaalsContact O-N 3.15Å |
| 1660 | E | 86.4 | Confident | 77.5 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.8 | -175.6 | -171.5 | 177.9 | 120.1 | 0 | 0 | 110.9 | K1624 L1652 R1662 | K1624-E1660 WeakPolarHBondContact CE-OE2 3.33Å; K1624-E1660 HydrophobicContact CG-CB 4.41Å; K1624-E1660 HydrophobicContact CG-CG 4.19Å; L1652-E1660 HydrophobicContact CB-CB 4.28Å; L1652-E1660 WeakPolarHBondContact CB-O 3.38Å; L1652-E1660 PolarHBondContact N-O 3.13Å; L1652-E1660 PolarHBondContact O-N 2.7Å; E1660-R1662 HydrophobicContact CG-CG 4.5Å; E1660-R1662 IonicContact OE1-CZ 3.5Å; E1660-R1662 IonicContact OE1-NE 3.9Å; E1660-R1662 PolarHBondContact OE1-NE 2.98Å; E1660-R1662 IonicContact OE1-NH2 2.74Å; E1660-R1662 PolarHBondContact OE1-NH2 3.36Å |
| 1661 | L | 88.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.4 | 177.6 | -51.4 | 175.9 | 0 | 0 | 0 | 109 | S1622 V1623 V1625 L1635 A1637 V1649 E1650 V1651 L1673 I1675 | S1622-L1661 CarbonylContact C-O 3.53Å; S1622-L1661 VanDerWaalsContact CA-O 3.27Å; S1622-L1661 WeakPolarHBondContact CA-O 3.5Å; V1623-L1661 HydrophobicContact CB-CB 4.09Å; V1623-L1661 HydrophobicContact CB-CD1 4.29Å; V1623-L1661 HydrophobicContact CG2-CB 4.3Å; V1623-L1661 PolarHBondContact N-O 2.79Å; V1623-L1661 PolarHBondContact O-N 3.41Å; V1625-L1661 HydrophobicContact CG2-CD1 3.73Å; V1625-L1661 HydrophobicContact CG2-CG 3.97Å; L1635-L1661 HydrophobicContact CD2-CD2 4.05Å; L1635-L1661 HydrophobicContact CG-CD2 4.49Å; A1637-L1661 HydrophobicContact CB-CD1 3.52Å; A1637-L1661 HydrophobicContact CB-CD2 3.77Å; A1637-L1661 HydrophobicContact CB-CG 4.23Å; V1649-L1661 HydrophobicContact CG1-CB 3.98Å; E1650-L1661 CarbonylContact O-C 3.56Å; E1650-L1661 WeakPolarHBondContact O-CA 3.42Å; V1651-L1661 HydrophobicContact CB-CD2 4.28Å; V1651-L1661 HydrophobicContact CG1-CD2 3.93Å; V1651-L1661 HydrophobicContact CG2-CD2 3.87Å; L1661-L1673 HydrophobicContact CD1-CD1 4.18Å; L1661-I1675 HydrophobicContact CD1-CD1 3.95Å; L1661-I1675 HydrophobicContact CD1-CG1 4.2Å |
| 1662 | R | 84.9 | Confident | 77.3 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.3 | 176.5 | -60.9 | -163.9 | -175.8 | 155.2 | 8.1 | 112.8 | E1620 A1621 V1649 E1650 L1652 E1660 | E1620-R1662 WeakPolarHBondContact OE1-CD 3.39Å; E1620-R1662 IonicContact OE1-NH1 3.99Å; A1621-R1662 WeakPolarHBondContact O-CA 3.4Å; V1649-R1662 CarbonylContact C-O 3.56Å; V1649-R1662 VanDerWaalsContact CA-O 3.29Å; V1649-R1662 WeakPolarHBondContact CA-O 3.35Å; E1650-R1662 HydrophobicContact CB-CB 4.41Å; E1650-R1662 PolarHBondContact N-O 2.65Å; E1650-R1662 PolarHBondContact O-N 3.24Å; L1652-R1662 HydrophobicContact CD1-CG 4.26Å; L1652-R1662 VanDerWaalsContact CD1-CZ 3.43Å; E1660-R1662 HydrophobicContact CG-CG 4.5Å; E1660-R1662 IonicContact OE1-CZ 3.5Å; E1660-R1662 IonicContact OE1-NE 3.9Å; E1660-R1662 PolarHBondContact OE1-NE 2.98Å; E1660-R1662 IonicContact OE1-NH2 2.74Å; E1660-R1662 PolarHBondContact OE1-NH2 3.36Å |
| 1663 | F | 90 | Very high | 77.6 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 163.6 | 178.3 | 64.5 | -81 | 0 | 0 | 0 | 110.3 | V1615 A1621 V1623 V1639 I1647 D1648 V1649 F1689 | V1615-F1663 HydrophobicContact CG1-CE2 3.94Å; V1615-F1663 HydrophobicContact CG1-CZ 4.27Å; V1615-F1663 HydrophobicContact CG2-CE2 4.35Å; V1615-F1663 HydrophobicContact CG2-CZ 3.84Å; A1621-F1663 HydrophobicContact CB-CE1 4.14Å; A1621-F1663 HydrophobicContact CB-CE2 4.23Å; A1621-F1663 HydrophobicContact CB-CZ 3.89Å; A1621-F1663 PolarHBondContact N-O 3.3Å; A1621-F1663 PolarHBondContact O-N 3.01Å; A1621-F1663 VanDerWaalsContact O-N 3.12Å; V1623-F1663 HydrophobicContact CG2-CD1 4.38Å; V1623-F1663 HydrophobicContact CG2-CE1 3.72Å; V1639-F1663 HydrophobicContact CG1-CD2 4.07Å; V1639-F1663 HydrophobicContact CG1-CE2 4.28Å; V1639-F1663 HydrophobicContact CG1-CG 4.45Å; V1639-F1663 HydrophobicContact CG2-CD1 4.07Å; V1639-F1663 HydrophobicContact CG2-CD2 4.5Å; V1639-F1663 HydrophobicContact CG2-CE1 4.4Å; V1639-F1663 HydrophobicContact CG2-CG 4.14Å; I1647-F1663 HydrophobicContact CG2-CB 4.3Å; D1648-F1663 WeakPolarHBondContact O-CB 3.12Å; V1649-F1663 HydrophobicContact CG2-CB 4.42Å; F1663-F1689 HydrophobicContact CE1-CZ 4.3Å; F1663-F1689 AromaticContact CE2-CE2 3.66Å; F1663-F1689 HydrophobicContact CE2-CE2 3.66Å; F1663-F1689 AromaticContact CE2-CZ 3.55Å; F1663-F1689 HydrophobicContact CE2-CZ 3.55Å; F1663-F1689 HydrophobicContact CZ-CE1 4.36Å; F1663-F1689 AromaticContact CZ-CE2 3.52Å; F1663-F1689 HydrophobicContact CZ-CE2 3.52Å; F1663-F1689 AromaticContact CZ-CZ 3.39Å; F1663-F1689 HydrophobicContact CZ-CZ 3.39Å |
| 1664 | L | 83.7 | Confident | 77.7 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 123 | 176 | -174.2 | 153.4 | 0 | 0 | 0 | 109.4 | I1647 | I1647-L1664 WeakPolarHBondContact CG2-O 3.26Å |
| 1665 | T | 80.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | trans | -104.6 | 142.3 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | V1615 G1618 K1667 H1671 A1691 | V1615-T1665 HydrophobicContact CG1-CG2 3.64Å; G1618-T1665 PolarHBondContact N-O 2.87Å; T1665-K1667 PolarHBondContact OG1-N 2.8Å; T1665-K1667 PolarHBondContact OG1-O 2.66Å; T1665-H1671 VanDerWaalsContact CB-NE2 3.32Å; T1665-H1671 WeakPolarHBondContact CB-NE2 3.31Å; T1665-H1671 PolarHBondContact OG1-CE1 2.87Å; T1665-H1671 PolarHBondContact OG1-NE2 3.08Å; T1665-A1691 HydrophobicContact CG2-CB 3.67Å | ||
| 1666 | G | 75.3 | Confident | 79.2 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 66% | 0.66 | 22% | 0.224 | S | C | * | . | trans | -98.2 | 0.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1667 | K | 65.9 | Low | 79.8 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -125.1 | 139.4 | -174.6 | -66.1 | -178 | -170.1 | 166.2 | 0 | 112.5 | V1617 D1641 P1642 D1643 T1665 H1671 A1691 | V1617-K1667 VanDerWaalsContact CG2-O 3.23Å; V1617-K1667 WeakPolarHBondContact CG2-O 3.44Å; D1641-K1667 HydrophobicContact CB-CD 4.34Å; D1641-K1667 IonicContact OD1-NZ 2.99Å; D1641-K1667 WeakPolarHBondContact OD2-CD 3.49Å; D1641-K1667 WeakPolarHBondContact OD2-CE 3.36Å; D1641-K1667 IonicContact OD2-NZ 2.68Å; D1641-K1667 PolarHBondContact OD2-NZ 2.69Å; P1642-K1667 HydrophobicContact CG-CB 4.08Å; D1643-K1667 WeakPolarHBondContact OD2-CE 2.8Å; D1643-K1667 IonicContact OD2-NZ 3.3Å; D1643-K1667 PolarHBondContact OD2-NZ 2.84Å; T1665-K1667 PolarHBondContact OG1-N 2.8Å; T1665-K1667 PolarHBondContact OG1-O 2.66Å; K1667-H1671 PolarHBondContact O-CE1 2.88Å; K1667-H1671 VanDerWaalsContact O-CE1 3.3Å; K1667-A1691 WeakPolarHBondContact O-CB 3.23Å |
| 1668 | V | 71.8 | Confident | 80.1 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | trans | -78.3 | 141.5 | 173.4 | -176 | 0 | 0 | 0 | 0 | 108.9 | V1617 A1691 E1693 | V1617-V1668 HydrophobicContact CB-CG2 4.48Å; V1617-V1668 HydrophobicContact CG2-CB 4.3Å; V1617-V1668 HydrophobicContact CG2-CG2 3.71Å; V1668-A1691 WeakPolarHBondContact CG1-O 3.24Å; V1668-E1693 HydrophobicContact CG1-CB 4.32Å; V1668-E1693 HydrophobicContact CG2-CB 3.68Å; V1668-E1693 HydrophobicContact CG2-CG 3.81Å | ||
| 1669 | G | 61.5 | Low | 79.5 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.8 | -158.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1671 F1690 A1691 | G1669-H1671 PolarHBondContact O-ND1 3.46Å; G1669-F1690 WeakPolarHBondContact O-CA 3.17Å; G1669-A1691 PolarHBondContact N-O 3.37Å; G1669-A1691 PolarHBondContact O-N 2.89Å |
| 1670 | Q | 72.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131.4 | -169.6 | -168 | -176.4 | -96.9 | 0 | 0 | 112.1 | P1642 I1688 F1689 F1690 | P1642-Q1670 WeakPolarHBondContact CA-O 3.49Å; P1642-Q1670 WeakPolarHBondContact CB-O 3.19Å; P1642-Q1670 VanDerWaalsContact CG-O 3.3Å; P1642-Q1670 WeakPolarHBondContact CG-O 3.36Å; Q1670-I1688 VanDerWaalsContact CD-CG2 3.44Å; Q1670-I1688 HydrophobicContact CG-CG2 3.28Å; Q1670-F1689 WeakPolarHBondContact CA-O 3.41Å; Q1670-F1690 HydrophobicContact CB-CD1 4.34Å; Q1670-F1690 HydrophobicContact CB-CE1 3.79Å; Q1670-F1690 HydrophobicContact CB-CE2 4.43Å; Q1670-F1690 HydrophobicContact CB-CZ 3.84Å; Q1670-F1690 HydrophobicContact CG-CE1 4.39Å; Q1670-F1690 HydrophobicContact CG-CE2 4.16Å; Q1670-F1690 HydrophobicContact CG-CZ 3.96Å |
| 1671 | H | 84.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159.7 | 174.8 | -71.7 | 61.9 | 0 | 0 | 0 | 110.4 | A1640 T1665 K1667 G1669 I1688 F1689 A1691 | A1640-H1671 VanDerWaalsContact O-CA 3.29Å; A1640-H1671 WeakPolarHBondContact O-CA 3.27Å; A1640-H1671 WeakPolarHBondContact O-CB 3.41Å; T1665-H1671 VanDerWaalsContact CB-NE2 3.32Å; T1665-H1671 WeakPolarHBondContact CB-NE2 3.31Å; T1665-H1671 PolarHBondContact OG1-CE1 2.87Å; T1665-H1671 PolarHBondContact OG1-NE2 3.08Å; K1667-H1671 PolarHBondContact O-CE1 2.88Å; K1667-H1671 VanDerWaalsContact O-CE1 3.3Å; G1669-H1671 PolarHBondContact O-ND1 3.46Å; H1671-I1688 VanDerWaalsContact O-CA 3.29Å; H1671-I1688 WeakPolarHBondContact O-CA 3.49Å; H1671-F1689 HydrophobicContact CB-CD1 3.99Å; H1671-F1689 HydrophobicContact CB-CD2 3.78Å; H1671-F1689 HydrophobicContact CB-CE1 3.59Å; H1671-F1689 HydrophobicContact CB-CE2 3.35Å; H1671-F1689 HydrophobicContact CB-CG 4.09Å; H1671-F1689 HydrophobicContact CB-CZ 3.27Å; H1671-F1689 AromaticContact CG-CE2 3.7Å; H1671-F1689 AromaticContact CG-CZ 3.87Å; H1671-F1689 PolarHBondContact N-O 3.4Å; H1671-F1689 PolarHBondContact O-N 3.32Å; H1671-A1691 WeakPolarHBondContact CE1-CB 3.3Å |
| 1672 | T | 80.1 | Confident | 78.3 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 27% | 0.27 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | 172.3 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | V1639 A1640 P1686 M1687 I1688 | V1639-T1672 CarbonylContact C-O 3.55Å; V1639-T1672 VanDerWaalsContact CA-O 3.24Å; V1639-T1672 WeakPolarHBondContact CA-O 3.43Å; A1640-T1672 PolarHBondContact N-O 2.94Å; A1640-T1672 PolarHBondContact O-N 2.71Å; T1672-P1686 HydrophobicContact CG2-CB 4.46Å; T1672-M1687 CarbonylContact C-O 3.55Å; T1672-I1688 HydrophobicContact CG2-CG1 4.14Å |
| 1673 | L | 85.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.1 | 173.5 | 165 | 66.4 | 0 | 0 | 0 | 109.6 | I1609 V1623 A1637 E1638 V1639 L1661 I1675 P1686 M1687 F1689 | I1609-L1673 HydrophobicContact CD1-CD2 4.21Å; V1623-L1673 HydrophobicContact CB-CD2 4.46Å; V1623-L1673 HydrophobicContact CG1-CD2 3.93Å; V1623-L1673 HydrophobicContact CG2-CD2 4.11Å; A1637-L1673 HydrophobicContact CB-CD1 4.13Å; E1638-L1673 WeakPolarHBondContact O-CA 3.45Å; V1639-L1673 HydrophobicContact CG2-CB 4.39Å; V1639-L1673 HydrophobicContact CG2-CD1 3.81Å; L1661-L1673 HydrophobicContact CD1-CD1 4.18Å; L1673-I1675 HydrophobicContact CD1-CG1 3.99Å; L1673-I1675 HydrophobicContact CD2-CD1 4.22Å; L1673-I1675 HydrophobicContact CD2-CG1 4.41Å; L1673-I1675 HydrophobicContact CG-CD1 4.41Å; L1673-I1675 HydrophobicContact CG-CG1 4.06Å; L1673-P1686 CarbonylContact O-C 3.5Å; L1673-P1686 WeakPolarHBondContact O-CA 3.42Å; L1673-M1687 HydrophobicContact CB-CB 4.26Å; L1673-M1687 HydrophobicContact CD2-SD 4.3Å; L1673-M1687 PolarHBondContact N-O 3.45Å; L1673-M1687 PolarHBondContact O-N 2.93Å; L1673-F1689 HydrophobicContact CB-CD1 4.25Å; L1673-F1689 HydrophobicContact CB-CE1 3.93Å |
| 1674 | T | 81.6 | Confident | 76.2 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 140.1 | 170.4 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | A1637 E1638 | A1637-T1674 CarbonylContact C-O 3.54Å; A1637-T1674 VanDerWaalsContact CA-O 3.26Å; A1637-T1674 WeakPolarHBondContact CA-O 3.47Å; E1638-T1674 PolarHBondContact N-O 3.31Å; E1638-T1674 PolarHBondContact O-N 3.22Å |
| 1675 | I | 84.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.7 | 178.2 | -58.8 | -177.8 | 0 | 0 | 0 | 109.1 | I1609 V1625 L1635 A1637 L1661 L1673 V1682 | I1609-I1675 HydrophobicContact CD1-CD1 3.64Å; I1609-I1675 HydrophobicContact CG1-CD1 3.73Å; V1625-I1675 HydrophobicContact CG2-CD1 3.9Å; L1635-I1675 HydrophobicContact CD1-CG2 3.49Å; L1635-I1675 VanDerWaalsContact CD1-CG2 3.49Å; A1637-I1675 HydrophobicContact CB-CG1 4.37Å; L1661-I1675 HydrophobicContact CD1-CD1 3.95Å; L1661-I1675 HydrophobicContact CD1-CG1 4.2Å; L1673-I1675 HydrophobicContact CD1-CG1 3.99Å; L1673-I1675 HydrophobicContact CD2-CD1 4.22Å; L1673-I1675 HydrophobicContact CD2-CG1 4.41Å; L1673-I1675 HydrophobicContact CG-CD1 4.41Å; L1673-I1675 HydrophobicContact CG-CG1 4.06Å; I1675-V1682 HydrophobicContact CB-CB 4.19Å; I1675-V1682 HydrophobicContact CG2-CB 4.09Å; I1675-V1682 HydrophobicContact CG2-CG2 3.92Å; I1675-V1682 PolarHBondContact O-N 3.42Å |
| 1676 | N | 84.1 | Confident | 74.2 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.9 | 175.4 | -105.3 | -89.4 | 0 | 0 | 0 | 110.7 | T1636 Q1680 D1681 | T1636-N1676 PolarHBondContact N-O 2.69Å; T1636-N1676 PolarHBondContact O-N 3.19Å; T1636-N1676 VanDerWaalsContact O-O 3.12Å; T1636-N1676 WeakPolarHBondContact OG1-CB 3.45Å; T1636-N1676 PolarHBondContact OG1-O 3.21Å; N1676-Q1680 CarbonylContact C-O 3.48Å; N1676-Q1680 WeakPolarHBondContact CA-O 3.27Å; N1676-Q1680 PolarHBondContact OD1-N 2.82Å; N1676-Q1680 PolarHBondContact OD1-O 2.87Å; N1676-D1681 PolarHBondContact ND2-OD1 2.77Å; N1676-D1681 PolarHBondContact OD1-N 2.97Å |
| 1677 | Y | 82.4 | Confident | 74 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111.9 | 177.3 | -160 | -103.5 | 0 | 0 | 0 | 110.5 | F1602 V1607 T1627 A1630 G1631 A1633 D1634 L1635 G1679 Q1680 | F1602-Y1677 HydrophobicContact CD2-CD1 4.05Å; F1602-Y1677 HydrophobicContact CD2-CE1 4.37Å; F1602-Y1677 WeakPolarHBondContact CE2-O 3.34Å; V1607-Y1677 HydrophobicContact CG2-CD1 3.85Å; V1607-Y1677 HydrophobicContact CG2-CD2 4.05Å; V1607-Y1677 HydrophobicContact CG2-CE1 4.26Å; V1607-Y1677 HydrophobicContact CG2-CE2 4.44Å; V1607-Y1677 HydrophobicContact CG2-CG 3.73Å; T1627-Y1677 HydrophobicContact CG2-CD2 4.05Å; T1627-Y1677 HydrophobicContact CG2-CE2 3.47Å; T1627-Y1677 VanDerWaalsContact CG2-CE2 3.47Å; A1630-Y1677 HydrophobicContact CB-CD1 4.24Å; A1630-Y1677 HydrophobicContact CB-CE1 3.72Å; G1631-Y1677 VanDerWaalsContact O-CE1 3.23Å; G1631-Y1677 WeakPolarHBondContact O-CE1 3.44Å; G1631-Y1677 PolarHBondContact O-OH 3.01Å; A1633-Y1677 HydrophobicContact CB-CD1 3.96Å; A1633-Y1677 HydrophobicContact CB-CE1 3.72Å; A1633-Y1677 PolarHBondContact N-OH 2.81Å; A1633-Y1677 VanDerWaalsContact O-CE2 3.3Å; A1633-Y1677 WeakPolarHBondContact O-CE2 3.31Å; A1633-Y1677 VanDerWaalsContact O-CZ 3.26Å; A1633-Y1677 PolarHBondContact O-OH 2.89Å; D1634-Y1677 CarbonylContact O-C 3.57Å; D1634-Y1677 WeakPolarHBondContact O-CA 3.46Å; L1635-Y1677 HydrophobicContact CB-CD2 3.92Å; L1635-Y1677 HydrophobicContact CB-CE2 4.05Å; L1635-Y1677 HydrophobicContact CD1-CD2 3.81Å; L1635-Y1677 HydrophobicContact CD1-CE2 4.49Å; L1635-Y1677 HydrophobicContact CG-CD2 4.47Å; Y1677-G1679 PolarHBondContact O-N 3.38Å; Y1677-Q1680 PolarHBondContact N-O 2.99Å; Y1677-Q1680 PolarHBondContact O-N 2.89Å |
| 1678 | G | 74.9 | Confident | 74.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 24.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1634 | D1634-G1678 PolarHBondContact O-N 2.82Š|
| 1679 | G | 70.1 | Confident | 74.2 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 24.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1677 | Y1677-G1679 PolarHBondContact O-N 3.38Š|
| 1680 | Q | 76.5 | Confident | 74.8 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135 | 168.9 | -66.4 | -91.6 | -91.1 | 0 | 0 | 108.9 | V1526 P1604 N1676 Y1677 V1682 | V1526-Q1680 HydrophobicContact CG2-CG 4.07Å; P1604-Q1680 HydrophobicContact CB-CB 4.04Å; P1604-Q1680 HydrophobicContact CG-CB 3.77Å; P1604-Q1680 HydrophobicContact CG-CG 4.23Å; N1676-Q1680 CarbonylContact C-O 3.48Å; N1676-Q1680 WeakPolarHBondContact CA-O 3.27Å; N1676-Q1680 PolarHBondContact OD1-N 2.82Å; N1676-Q1680 PolarHBondContact OD1-O 2.87Å; Y1677-Q1680 PolarHBondContact N-O 2.99Å; Y1677-Q1680 PolarHBondContact O-N 2.89Å; Q1680-V1682 PolarHBondContact O-N 2.85Å |
| 1681 | D | 74.8 | Confident | 74.7 | Confident | 100 Ų | 100 | 46 Ų | 46 | 54% | 0.535 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 131.3 | 172.9 | -62.2 | -67.4 | 0 | 0 | 0 | 110.9 | N1676 | N1676-D1681 PolarHBondContact ND2-OD1 2.77Å; N1676-D1681 PolarHBondContact OD1-N 2.97Å |
| 1682 | V | 78.9 | Confident | 73.8 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -80.8 | -21.2 | 176.8 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | P1604 V1607 I1675 Q1680 | P1604-V1682 HydrophobicContact CB-CG2 4.44Å; V1607-V1682 HydrophobicContact CB-CG1 3.72Å; V1607-V1682 HydrophobicContact CB-CG2 3.94Å; V1607-V1682 HydrophobicContact CG1-CG1 3.76Å; V1607-V1682 HydrophobicContact CG1-CG2 4.06Å; V1607-V1682 HydrophobicContact CG2-CG2 4.16Å; I1675-V1682 HydrophobicContact CB-CB 4.19Å; I1675-V1682 HydrophobicContact CG2-CB 4.09Å; I1675-V1682 HydrophobicContact CG2-CG2 3.92Å; I1675-V1682 PolarHBondContact O-N 3.42Å; Q1680-V1682 PolarHBondContact O-N 2.85Å |
| 1683 | L | 67.7 | Low | 73 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -123.6 | 128.7 | -176 | -55.2 | 174 | 0 | 0 | 0 | 109.3 | I1609 N1685 M1687 | I1609-L1683 HydrophobicContact CD1-CD1 4.23Å; L1683-N1685 VanDerWaalsContact CB-O 3.32Å; L1683-N1685 WeakPolarHBondContact CB-O 3.42Å; L1683-N1685 PolarHBondContact O-N 2.86Å; L1683-N1685 VanDerWaalsContact O-N 3.13Å; L1683-M1687 HydrophobicContact CD1-CB 3.85Å |
| 1684 | E | 63.2 | Low | 71.3 | Confident | 198 Ų | 198 | 55.1 Ų | 55.1 | 93% | 0.925 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60.4 | -21.6 | 173.1 | -65.7 | -172.5 | 143.6 | 0 | 0 | 113.1 | ||
| 1685 | N | 56.2 | Low | 69.8 | Low | 120 Ų | 120 | 59.6 Ų | 59.6 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -144.7 | 141.6 | 178.9 | -67.5 | -100 | 0 | 0 | 0 | 109.1 | L1683 M1687 | L1683-N1685 VanDerWaalsContact CB-O 3.32Å; L1683-N1685 WeakPolarHBondContact CB-O 3.42Å; L1683-N1685 PolarHBondContact O-N 2.86Å; L1683-N1685 VanDerWaalsContact O-N 3.13Å; N1685-M1687 PolarHBondContact O-N 2.81Å |
| 1686 | P | 67.3 | Low | 67.4 | Low | 64 Ų | 64 | 66.8 Ų | 66.8 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | trans | -55.3 | 136.8 | 178 | -27 | 35.2 | 0 | 0 | 0 | 113.3 | T1672 L1673 I1688 | T1672-P1686 HydrophobicContact CG2-CB 4.46Å; L1673-P1686 CarbonylContact O-C 3.5Å; L1673-P1686 WeakPolarHBondContact O-CA 3.42Å; P1686-I1688 PolarHBondContact O-N 3.32Å | ||
| 1687 | M | 71.6 | Confident | 64.9 | Low | 22 Ų | 22 | 67.4 Ų | 67.4 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 111.1 | 176.5 | 178.5 | -178.9 | 179.7 | 0 | 0 | 109.8 | I1609 L1612 T1672 L1673 L1683 N1685 L1848 | I1609-M1687 HydrophobicContact CD1-CB 4.46Å; I1609-M1687 HydrophobicContact CD1-SD 3.46Å; I1609-M1687 WeakPolarHBondContact CD1-SD 3.34Å; I1609-M1687 HydrophobicContact CG2-SD 4.35Å; L1612-M1687 HydrophobicContact CB-CE 4.43Å; L1612-M1687 HydrophobicContact CD2-CE 3.73Å; T1672-M1687 CarbonylContact C-O 3.55Å; L1673-M1687 HydrophobicContact CB-CB 4.26Å; L1673-M1687 HydrophobicContact CD2-SD 4.3Å; L1673-M1687 PolarHBondContact N-O 3.45Å; L1673-M1687 PolarHBondContact O-N 2.93Å; L1683-M1687 HydrophobicContact CD1-CB 3.85Å; N1685-M1687 PolarHBondContact O-N 2.81Å; M1687-L1848 HydrophobicContact CE-CD2 4.08Å |
| 1688 | I | 68.9 | Low | 62.2 | Low | 46 Ų | 46 | 69.9 Ų | 69.9 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.4 | 175.4 | -59.7 | 172.3 | 0 | 0 | 0 | 110.4 | Q1670 H1671 T1672 P1686 R1803 | Q1670-I1688 VanDerWaalsContact CD-CG2 3.44Å; Q1670-I1688 HydrophobicContact CG-CG2 3.28Å; H1671-I1688 VanDerWaalsContact O-CA 3.29Å; H1671-I1688 WeakPolarHBondContact O-CA 3.49Å; T1672-I1688 HydrophobicContact CG2-CG1 4.14Å; P1686-I1688 PolarHBondContact O-N 3.32Å; I1688-R1803 PolarHBondContact O-NH2 3.5Å |
| 1689 | F | 73.2 | Confident | 59.8 | Low | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.013 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 177.6 | 172.3 | 65.6 | -87.4 | 0 | 0 | 0 | 111.7 | L1612 V1615 V1639 F1663 Q1670 H1671 L1673 | L1612-F1689 HydrophobicContact CD2-CB 3.51Å; L1612-F1689 HydrophobicContact CD2-CG 4.05Å; V1615-F1689 HydrophobicContact CB-CD2 4.4Å; V1615-F1689 HydrophobicContact CB-CE2 4.33Å; V1615-F1689 HydrophobicContact CG1-CE2 4.19Å; V1615-F1689 HydrophobicContact CG2-CD2 3.71Å; V1615-F1689 HydrophobicContact CG2-CE2 3.72Å; V1639-F1689 HydrophobicContact CG1-CE1 4.21Å; V1639-F1689 HydrophobicContact CG1-CZ 3.78Å; F1663-F1689 HydrophobicContact CE1-CZ 4.3Å; F1663-F1689 AromaticContact CE2-CE2 3.66Å; F1663-F1689 HydrophobicContact CE2-CE2 3.66Å; F1663-F1689 AromaticContact CE2-CZ 3.55Å; F1663-F1689 HydrophobicContact CE2-CZ 3.55Å; F1663-F1689 HydrophobicContact CZ-CE1 4.36Å; F1663-F1689 AromaticContact CZ-CE2 3.52Å; F1663-F1689 HydrophobicContact CZ-CE2 3.52Å; F1663-F1689 AromaticContact CZ-CZ 3.39Å; F1663-F1689 HydrophobicContact CZ-CZ 3.39Å; Q1670-F1689 WeakPolarHBondContact CA-O 3.41Å; H1671-F1689 HydrophobicContact CB-CD1 3.99Å; H1671-F1689 HydrophobicContact CB-CD2 3.78Å; H1671-F1689 HydrophobicContact CB-CE1 3.59Å; H1671-F1689 HydrophobicContact CB-CE2 3.35Å; H1671-F1689 HydrophobicContact CB-CG 4.09Å; H1671-F1689 HydrophobicContact CB-CZ 3.27Å; H1671-F1689 AromaticContact CG-CE2 3.7Å; H1671-F1689 AromaticContact CG-CZ 3.87Å; H1671-F1689 PolarHBondContact N-O 3.4Å; H1671-F1689 PolarHBondContact O-N 3.32Å; L1673-F1689 HydrophobicContact CB-CD1 4.25Å; L1673-F1689 HydrophobicContact CB-CE1 3.93Å |
| 1690 | F | 72.5 | Confident | 57.7 | Low | 27 Ų | 27 | 74.2 Ų | 74.2 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145 | 177.1 | -80.3 | -98.5 | 0 | 0 | 0 | 111.8 | G1669 Q1670 N1830 E1834 | G1669-F1690 WeakPolarHBondContact O-CA 3.17Å; Q1670-F1690 HydrophobicContact CB-CD1 4.34Å; Q1670-F1690 HydrophobicContact CB-CE1 3.79Å; Q1670-F1690 HydrophobicContact CB-CE2 4.43Å; Q1670-F1690 HydrophobicContact CB-CZ 3.84Å; Q1670-F1690 HydrophobicContact CG-CE1 4.39Å; Q1670-F1690 HydrophobicContact CG-CE2 4.16Å; Q1670-F1690 HydrophobicContact CG-CZ 3.96Å; F1690-N1830 PolarHBondContact N-OD1 2.91Å; F1690-N1830 PolarHBondContact O-ND2 3.01Å; F1690-N1830 PolarHBondContact O-OD1 3.15Å; F1690-E1834 HydrophobicContact CZ-CG 4.47Å |
| 1691 | A | 72.3 | Confident | 55.5 | Low | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.025 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1615 V1617 T1665 K1667 V1668 G1669 H1671 | V1615-A1691 HydrophobicContact CB-CB 4.31Å; V1615-A1691 HydrophobicContact CG1-CB 3.75Å; V1615-A1691 WeakPolarHBondContact O-CA 3.15Å; V1617-A1691 HydrophobicContact CG2-CB 4.16Å; T1665-A1691 HydrophobicContact CG2-CB 3.67Å; K1667-A1691 WeakPolarHBondContact O-CB 3.23Å; V1668-A1691 WeakPolarHBondContact CG1-O 3.24Å; G1669-A1691 PolarHBondContact N-O 3.37Å; G1669-A1691 PolarHBondContact O-N 2.89Å; H1671-A1691 WeakPolarHBondContact CE1-CB 3.3Å |
| 1692 | E | 64.7 | Low | 53.7 | Low | 52 Ų | 52 | 71.1 Ų | 71.1 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 148.4 | 179.8 | -64.5 | 175.8 | -137.6 | 0 | 0 | 111.3 | R1614 V1615 V1616 V1617 | R1614-E1692 IonicContact CZ-OE2 3.59Å; R1614-E1692 IonicContact NE-OE1 3.82Å; R1614-E1692 PolarHBondContact NE-OE1 3.02Å; R1614-E1692 IonicContact NE-OE2 3.83Å; R1614-E1692 PolarHBondContact NE-OE2 2.75Å; R1614-E1692 IonicContact NH2-OE2 2.65Å; R1614-E1692 PolarHBondContact NH2-OE2 2.9Å; V1615-E1692 PolarHBondContact O-N 3.34Å; V1616-E1692 CarbonylContact C-O 3.58Å; V1616-E1692 WeakPolarHBondContact CA-O 3.48Å; V1617-E1692 PolarHBondContact N-O 3.12Å |
| 1693 | E | 62.8 | Low | 52.6 | Low | 137 Ų | 137 | 73.3 Ų | 73.3 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 148.8 | 172.5 | -158.8 | 163.8 | -133.4 | 0 | 0 | 111 | V1668 E1695 | V1668-E1693 HydrophobicContact CG1-CB 4.32Å; V1668-E1693 HydrophobicContact CG2-CB 3.68Å; V1668-E1693 HydrophobicContact CG2-CG 3.81Å; E1693-E1695 PolarHBondContact O-N 3.36Å |
| 1694 | A | 50.3 | Low | 52.5 | Low | 50 Ų | 50 | 72.5 Ų | 72.5 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1616 D1696 | V1616-A1694 HydrophobicContact CG1-CB 4.04Å; A1694-D1696 PolarHBondContact O-N 3.24Å |
| 1695 | E | 48.3 | Very low | 53 | Low | 134 Ų | 134 | 66.1 Ų | 66.1 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | trans | -69.5 | 92.8 | 178.6 | -68.8 | 174.2 | 112.5 | 0 | 0 | 111.2 | R1614 E1693 S1697 | R1614-E1695 IonicContact CZ-OE2 3.09Å; R1614-E1695 IonicContact NH1-OE2 2.66Å; R1614-E1695 PolarHBondContact NH1-OE2 3.47Å; R1614-E1695 IonicContact NH2-OE1 2.77Å; R1614-E1695 IonicContact NH2-OE2 3.13Å; R1614-E1695 PolarHBondContact NH2-OE2 3.19Å; E1693-E1695 PolarHBondContact O-N 3.36Å; E1695-S1697 PolarHBondContact O-N 2.87Å | ||
| 1696 | D | 34.7 | Very low | 54 | Low | 151 Ų | 151 | 61.2 Ų | 61.2 | 81% | 0.807 | 36% | 0.358 | S | S | * | . | trans | -60 | 126.9 | -179.5 | -112.4 | -18.1 | 0 | 0 | 0 | 112 | A1694 A1698 | A1694-D1696 PolarHBondContact O-N 3.24Å; D1696-A1698 PolarHBondContact O-N 3.37Å | ||
| 1697 | S | 31.2 | Very low | 54.6 | Low | 54 Ų | 54 | 59.8 Ų | 59.8 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | trans | -80.8 | 80.1 | -173.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | E1695 | E1695-S1697 PolarHBondContact O-N 2.87Š| ||
| 1698 | A | 26.6 | Very low | 55 | Low | 54 Ų | 54 | 59.7 Ų | 59.7 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | trans | -122.4 | 103.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L425 D1696 | L425-A1698 HydrophobicContact CD2-CB 4.42Å; D1696-A1698 PolarHBondContact O-N 3.37Å | ||
| 1699 | A | 24.8 | Very low | 55.1 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | trans | 58.6 | 145.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | S427 K1701 | S427-A1699 PolarHBondContact OG-O 3.14Å; A1699-K1701 PolarHBondContact O-N 3.16Å | ||
| 1700 | A | 24.7 | Very low | 55.3 | Low | 96 Ų | 96 | 65.4 Ų | 65.4 | 79% | 0.793 | 38% | 0.384 | S | S | * | . | trans | -76.1 | 117.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P428 | P428-A1700 HydrophobicContact CG-CB 4.46Š| ||
| 1701 | K | 30.9 | Very low | 55.7 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 30% | 0.296 | 40% | 0.4 | S | S | . | . | trans | -146.2 | 105.8 | -170.4 | 173.2 | -101.6 | -164 | 179.2 | 0 | 108.5 | L425 A426 S427 P428 A1699 | L425-K1701 HydrophobicContact CB-CD 4.21Å; L425-K1701 PolarHBondContact O-NZ 2.93Å; A426-K1701 WeakPolarHBondContact O-CD 3.38Å; A426-K1701 WeakPolarHBondContact O-CE 3.4Å; A426-K1701 PolarHBondContact O-NZ 2.79Å; S427-K1701 CarbonylContact C-O 3.59Å; S427-K1701 WeakPolarHBondContact CA-O 3.25Å; S427-K1701 PolarHBondContact N-O 3.14Å; S427-K1701 PolarHBondContact OG-N 2.85Å; S427-K1701 PolarHBondContact OG-O 2.91Å; P428-K1701 WeakPolarHBondContact CD-O 3.38Å; A1699-K1701 PolarHBondContact O-N 3.16Å | ||
| 1702 | T | 37.6 | Very low | 56.1 | Low | 59 Ų | 59 | 67.6 Ų | 67.6 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | trans | -38.9 | 161.7 | -164 | 46 | 0 | 0 | 0 | 0 | 117.8 | P428 N1704 | P428-T1702 CarbonylContact O-C 3.47Å; T1702-N1704 VanDerWaalsContact C-N 3.3Å; T1702-N1704 VanDerWaalsContact O-CG 3.3Å; T1702-N1704 PolarHBondContact O-N 2.86Å; T1702-N1704 PolarHBondContact O-OD1 3.41Å; T1702-N1704 PolarHBondContact OG1-OD1 2.99Å | ||
| 1703 | Q | 54.6 | Low | 56.9 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | trans | -51.5 | 88.2 | 165.9 | -90 | -176.5 | -61.2 | 0 | 0 | 112 | P428 L429 Q1705 F1779 | P428-Q1703 PolarHBondContact O-N 3.36Å; L429-Q1703 HydrophobicContact CG-CG 4.33Å; Q1703-Q1705 VanDerWaalsContact C-N 3.3Å; Q1703-F1779 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1704 | N | 65.9 | Low | 57.8 | Low | 35 Ų | 35 | 62.7 Ų | 62.7 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | trans | -98.8 | 21.4 | 175 | -62.2 | 2.7 | 0 | 0 | 0 | 110.9 | T1702 M1777 F1779 T1780 | T1702-N1704 VanDerWaalsContact C-N 3.3Å; T1702-N1704 VanDerWaalsContact O-CG 3.3Å; T1702-N1704 PolarHBondContact O-N 2.86Å; T1702-N1704 PolarHBondContact O-OD1 3.41Å; T1702-N1704 PolarHBondContact OG1-OD1 2.99Å; N1704-M1777 HydrophobicContact CB-CE 4.32Å; N1704-M1777 WeakPolarHBondContact ND2-CE 3.49Å; N1704-M1777 WeakPolarHBondContact OD1-CE 3.09Å; N1704-F1779 WeakPolarHBondContact O-CA 3.37Å; N1704-T1780 PolarHBondContact O-N 2.61Å | ||
| 1705 | Q | 74.7 | Confident | 59.3 | Low | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.1 | 176.7 | 72.3 | 178.9 | 22 | 0 | 0 | 113.4 | Q1703 T1780 N1860 | Q1703-Q1705 VanDerWaalsContact C-N 3.3Å; Q1705-T1780 CarbonylContact C-O 3.55Å; Q1705-T1780 WeakPolarHBondContact CA-O 3.49Å; Q1705-T1780 WeakPolarHBondContact CB-O 3.46Å; Q1705-N1860 PolarHBondContact NE2-O 3.33Å; Q1705-N1860 PolarHBondContact OE1-ND2 3.34Å |
| 1706 | C | 76.5 | Confident | 60.8 | Low | 18 Ų | 18 | 55.4 Ų | 55.4 | 12% | 0.122 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 173.7 | 167.7 | 81.3 | 0 | 0 | 0 | 0 | 112.4 | A1712 F1779 T1780 V1781 V1782 | C1706-A1712 HydrophobicContact CB-CB 4.4Å; C1706-F1779 HydrophobicContact CB-CE1 3.95Å; C1706-F1779 HydrophobicContact CB-CZ 4.24Å; C1706-T1780 PolarHBondContact N-O 2.96Å; C1706-V1781 WeakPolarHBondContact O-CA 3.41Å; C1706-V1782 PolarHBondContact O-N 2.83Å; C1706-V1782 VanDerWaalsContact O-N 3.15Å |
| 1707 | I | 79.7 | Confident | 62.8 | Low | 33 Ų | 33 | 54.6 Ų | 54.6 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 145.6 | 173.7 | -59.8 | 168.3 | 0 | 0 | 0 | 109.8 | A1709 E1710 V1782 V1862 | I1707-A1709 PolarHBondContact O-N 3.16Å; I1707-E1710 HydrophobicContact CB-CG 4.07Å; I1707-E1710 HydrophobicContact CG2-CG 4.46Å; I1707-E1710 WeakPolarHBondContact O-CB 3.44Å; I1707-E1710 PolarHBondContact O-N 3.22Å; I1707-E1710 VanDerWaalsContact O-N 3.14Å; I1707-V1782 CarbonylContact C-O 3.54Å; I1707-V1782 WeakPolarHBondContact CA-O 3.37Å; I1707-V1862 HydrophobicContact CD1-CG1 3.88Å; I1707-V1862 HydrophobicContact CG1-CG1 4.26Å |
| 1708 | L | 80.1 | Confident | 64.9 | Low | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 135.1 | 174.9 | 177.3 | 62 | 0 | 0 | 0 | 111.7 | E1710 V1758 V1781 V1782 D1783 R1785 | L1708-E1710 PolarHBondContact O-N 3.03Å; L1708-V1758 HydrophobicContact CB-CG1 4.2Å; L1708-V1758 HydrophobicContact CD2-CG1 4.11Å; L1708-V1781 HydrophobicContact CB-CG1 4.13Å; L1708-V1781 HydrophobicContact CD1-CG1 4.36Å; L1708-V1782 PolarHBondContact N-O 2.83Å; L1708-D1783 HydrophobicContact CB-CB 4.03Å; L1708-D1783 HydrophobicContact CD2-CB 4.33Å; L1708-R1785 PolarHBondContact O-NH2 2.99Å |
| 1709 | A | 71.9 | Confident | 66.7 | Low | 69 Ų | 69 | 56.3 Ų | 56.3 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 7.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1707 L1754 | I1707-A1709 PolarHBondContact O-N 3.16Å; A1709-L1754 WeakPolarHBondContact O-CD1 3.25Å |
| 1710 | E | 77.4 | Confident | 68.5 | Low | 99 Ų | 99 | 58.4 Ų | 58.4 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -89.4 | 150.9 | 162.8 | -63.2 | -172.5 | 165.2 | 0 | 0 | 110.9 | I1707 L1708 A1712 P1755 | I1707-E1710 HydrophobicContact CB-CG 4.07Å; I1707-E1710 HydrophobicContact CG2-CG 4.46Å; I1707-E1710 WeakPolarHBondContact O-CB 3.44Å; I1707-E1710 PolarHBondContact O-N 3.22Å; I1707-E1710 VanDerWaalsContact O-N 3.14Å; L1708-E1710 PolarHBondContact O-N 3.03Å; E1710-A1712 PolarHBondContact O-N 3.33Å; E1710-A1712 VanDerWaalsContact O-N 3.12Å; E1710-P1755 WeakPolarHBondContact O-CD 3.2Å |
| 1711 | T | 79.7 | Confident | 70.2 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | trans | -72.8 | 108.3 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | F1753 | T1711-F1753 CarbonylContact C-O 3.52Å; T1711-F1753 WeakPolarHBondContact CA-O 3.46Å | ||
| 1712 | A | 81.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 136.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | C1706 E1710 T1752 F1753 F1779 | C1706-A1712 HydrophobicContact CB-CB 4.4Å; E1710-A1712 PolarHBondContact O-N 3.33Å; E1710-A1712 VanDerWaalsContact O-N 3.12Å; A1712-T1752 VanDerWaalsContact O-CA 3.3Å; A1712-T1752 WeakPolarHBondContact O-CA 3.38Å; A1712-F1753 HydrophobicContact CB-CD1 3.62Å; A1712-F1753 HydrophobicContact CB-CD2 4.42Å; A1712-F1753 HydrophobicContact CB-CE1 3.3Å; A1712-F1753 HydrophobicContact CB-CE2 4.17Å; A1712-F1753 HydrophobicContact CB-CG 4.19Å; A1712-F1753 HydrophobicContact CB-CZ 3.61Å; A1712-F1753 PolarHBondContact N-O 2.87Å; A1712-F1753 PolarHBondContact O-N 2.87Å; A1712-F1753 VanDerWaalsContact O-N 3.08Å; A1712-F1779 HydrophobicContact CB-CE1 3.9Å; A1712-F1779 HydrophobicContact CB-CZ 3.92Å |
| 1713 | R | 80.8 | Confident | 73.5 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 29% | 0.291 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.7 | -178.9 | -62.4 | 174.2 | 176 | -97.7 | -16.8 | 108.9 | E1750 I1751 T1752 | R1713-E1750 IonicContact CZ-OE1 3.15Å; R1713-E1750 IonicContact NE-OE1 3.37Å; R1713-E1750 IonicContact NH1-OE1 2.87Å; R1713-E1750 PolarHBondContact NH1-OE1 3.46Å; R1713-I1751 CarbonylContact C-O 3.57Å; R1713-I1751 WeakPolarHBondContact CA-O 3.39Å; R1713-T1752 HydrophobicContact CG-CG2 4.12Å |
| 1714 | L | 82.9 | Confident | 74.8 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.5 | 175.1 | -175.3 | 70.3 | 0 | 0 | 0 | 109.5 | V1716 I1751 I1763 F1775 M1777 | L1714-V1716 HydrophobicContact CG-CG2 4.47Å; L1714-I1751 HydrophobicContact CB-CB 4.41Å; L1714-I1751 PolarHBondContact N-O 3.06Å; L1714-I1751 PolarHBondContact O-N 3.44Å; L1714-I1763 HydrophobicContact CD2-CD1 4.12Å; L1714-I1763 HydrophobicContact CD2-CG2 4.18Å; L1714-F1775 HydrophobicContact CD2-CE1 3.66Å; L1714-F1775 HydrophobicContact CD2-CZ 3.71Å; L1714-M1777 HydrophobicContact CD1-CE 4.22Å; L1714-M1777 HydrophobicContact CD1-SD 4.35Å; L1714-M1777 HydrophobicContact CD2-CE 4.38Å; L1714-M1777 HydrophobicContact CD2-SD 3.49Å; L1714-M1777 WeakPolarHBondContact CD2-SD 3.42Å |
| 1715 | L | 80.4 | Confident | 75.8 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.2 | 178.4 | -114 | 176.2 | 0 | 0 | 0 | 109.9 | S430 D432 K1748 | S430-L1715 WeakPolarHBondContact OG-CD1 3.32Å; D432-L1715 HydrophobicContact CB-CD1 4.04Å; D432-L1715 HydrophobicContact CB-CG 4.46Å; D432-L1715 WeakPolarHBondContact OD1-CD1 3.46Å; D432-L1715 WeakPolarHBondContact OD1-CD2 3.39Å; D432-L1715 WeakPolarHBondContact OD1-CG 3.45Å; L1715-K1748 HydrophobicContact CD2-CB 3.45Å; L1715-K1748 VanDerWaalsContact CD2-CB 3.45Å; L1715-K1748 HydrophobicContact CD2-CD 3.76Å; L1715-K1748 HydrophobicContact CD2-CG 4.23Å |
| 1716 | V | 80.6 | Confident | 76.3 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.3 | -176.8 | -179.3 | 0 | 0 | 0 | 0 | 110 | L1714 W1749 I1751 L1772 F1775 | L1714-V1716 HydrophobicContact CG-CG2 4.47Å; V1716-W1749 HydrophobicContact CB-CB 4.47Å; V1716-W1749 PolarHBondContact N-O 2.8Å; V1716-W1749 PolarHBondContact O-N 2.8Å; V1716-I1751 HydrophobicContact CG2-CD1 3.6Å; V1716-I1751 HydrophobicContact CG2-CG1 4.17Å; V1716-L1772 HydrophobicContact CG1-CD1 3.5Å; V1716-L1772 VanDerWaalsContact CG1-CD1 3.5Å; V1716-F1775 HydrophobicContact CG1-CE2 4.39Å; V1716-F1775 HydrophobicContact CG2-CE2 4.18Å; V1716-F1775 HydrophobicContact CG2-CZ 3.75Å |
| 1717 | E | 77.2 | Confident | 76.8 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | trans | -94.3 | 144.5 | 173.4 | -62.8 | -171.2 | -171.8 | 0 | 0 | 110.5 | K1748 | E1717-K1748 HydrophobicContact CG-CD 3.92Å; E1717-K1748 HydrophobicContact CG-CG 4.08Å; E1717-K1748 VanDerWaalsContact OE1-CE 3.25Å; E1717-K1748 WeakPolarHBondContact OE1-CE 3.39Å; E1717-K1748 IonicContact OE1-NZ 2.62Å; E1717-K1748 PolarHBondContact OE1-NZ 3.06Å | ||
| 1718 | V | 74.9 | Confident | 77.3 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 11% | 0.109 | 35% | 0.349 | C | S | . | . | trans | -126.9 | 120.2 | -179 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | N1720 G1721 D1723 V1725 V1767 L1772 | V1718-N1720 PolarHBondContact O-N 3.1Å; V1718-G1721 PolarHBondContact O-N 3.41Å; V1718-D1723 HydrophobicContact CG1-CB 4.33Å; V1718-V1725 HydrophobicContact CG2-CG2 3.41Å; V1718-V1725 VanDerWaalsContact CG2-CG2 3.41Å; V1718-V1767 HydrophobicContact CG1-CG2 4.44Å; V1718-V1767 HydrophobicContact CG2-CG2 4.44Å; V1718-L1772 HydrophobicContact CG2-CD1 4.49Å | ||
| 1719 | P | 64.1 | Low | 77.8 | Confident | 127 Ų | 127 | 65.3 Ų | 65.3 | 83% | 0.825 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.2 | -165.6 | -32.5 | 35.8 | 0 | 0 | 0 | 117 | ||
| 1720 | N | 62.2 | Low | 78.6 | Confident | 124 Ų | 124 | 63 Ų | 63 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.9 | -178.1 | -68.1 | -34.4 | 0 | 0 | 0 | 114.4 | V1718 K1722 | V1718-N1720 PolarHBondContact O-N 3.1Å; N1720-K1722 PolarHBondContact O-N 3.03Å |
| 1721 | G | 60.3 | Low | 79 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 59.5 | 5.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | V1718 K1743 | V1718-G1721 PolarHBondContact O-N 3.41Å; G1721-K1743 PolarHBondContact O-NZ 2.89Å |
| 1722 | K | 62.9 | Low | 78.8 | Confident | 185 Ų | 185 | 60 Ų | 60 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | trans | -115.6 | -25 | -173 | -73.6 | 177.5 | -178.5 | 175.2 | 0 | 114.8 | N1720 | N1720-K1722 PolarHBondContact O-N 3.03Š| ||
| 1723 | D | 76 | Confident | 78.8 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -82.6 | 151.9 | -171.8 | -52.7 | -56.1 | 0 | 0 | 0 | 112.9 | V1718 W1749 V1767 H1768 | V1718-D1723 HydrophobicContact CG1-CB 4.33Å; D1723-W1749 VanDerWaalsContact O-CZ2 3.25Å; D1723-W1749 WeakPolarHBondContact O-CZ2 3.43Å; D1723-W1749 PolarHBondContact O-NE1 2.88Å; D1723-W1749 VanDerWaalsContact O-NE1 3.13Å; D1723-V1767 HydrophobicContact CB-CG1 3.65Å; D1723-H1768 IonicContact OD1-CE1 3.33Å; D1723-H1768 PolarHBondContact OD1-CE1 3.1Å |
| 1724 | E | 82.6 | Confident | 78.7 | Confident | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 123.4 | -178.7 | -168.7 | -169.2 | -177.5 | 0 | 0 | 111.7 | K1726 W1749 | E1724-K1726 WeakPolarHBondContact OE1-CE 3.41Å; E1724-K1726 IonicContact OE1-NZ 2.71Å; E1724-K1726 PolarHBondContact OE1-NZ 3.17Å; E1724-K1726 WeakPolarHBondContact OE2-CE 3.15Å; E1724-K1726 IonicContact OE2-NZ 3.18Å; E1724-K1726 PolarHBondContact OE2-NZ 2.83Å; E1724-W1749 HydrophobicContact CB-CH2 4.36Å; E1724-W1749 HydrophobicContact CG-CH2 3.94Å |
| 1725 | V | 85.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.8 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | V1718 W1749 A1765 Q1766 V1767 L1772 | V1718-V1725 HydrophobicContact CG2-CG2 3.41Å; V1718-V1725 VanDerWaalsContact CG2-CG2 3.41Å; V1725-W1749 HydrophobicContact CB-CB 4.12Å; V1725-W1749 HydrophobicContact CB-CD2 3.83Å; V1725-W1749 HydrophobicContact CB-CE3 4.08Å; V1725-W1749 HydrophobicContact CB-CG 3.85Å; V1725-W1749 HydrophobicContact CG2-CB 3.93Å; V1725-W1749 VanDerWaalsContact CG2-CD1 3.5Å; V1725-W1749 HydrophobicContact CG2-CD2 3.84Å; V1725-W1749 HydrophobicContact CG2-CG 3.49Å; V1725-W1749 VanDerWaalsContact CG2-CG 3.49Å; V1725-A1765 HydrophobicContact CG1-CB 4.22Å; V1725-Q1766 WeakPolarHBondContact CA-O 3.41Å; V1725-V1767 HydrophobicContact CG2-CG2 3.8Å; V1725-L1772 HydrophobicContact CG1-CD1 4.42Å; V1725-L1772 HydrophobicContact CG2-CD1 4.36Å |
| 1726 | K | 85.8 | Confident | 78.8 | Confident | 110 Ų | 110 | 73.1 Ų | 73.1 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.5 | 174.5 | -67 | -176.8 | 178.2 | 165.4 | 0 | 109.6 | E1724 Q1766 | E1724-K1726 WeakPolarHBondContact OE1-CE 3.41Å; E1724-K1726 IonicContact OE1-NZ 2.71Å; E1724-K1726 PolarHBondContact OE1-NZ 3.17Å; E1724-K1726 WeakPolarHBondContact OE2-CE 3.15Å; E1724-K1726 IonicContact OE2-NZ 3.18Å; E1724-K1726 PolarHBondContact OE2-NZ 2.83Å; K1726-Q1766 PolarHBondContact N-O 2.74Å; K1726-Q1766 WeakPolarHBondContact O-CB 3.33Å; K1726-Q1766 PolarHBondContact O-N 2.91Å |
| 1727 | A | 88 | Confident | 79.1 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 145.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1739 T1741 I1751 D1764 | A1727-C1739 PolarHBondContact O-SG 2.69Å; A1727-C1739 VanDerWaalsContact O-SG 3.34Å; A1727-T1741 HydrophobicContact CB-CG2 3.6Å; A1727-I1751 HydrophobicContact CB-CD1 3.96Å; A1727-I1751 HydrophobicContact CB-CG1 4.19Å; A1727-I1751 HydrophobicContact CB-CG2 3.62Å; A1727-D1764 CarbonylContact C-O 3.51Å; A1727-D1764 WeakPolarHBondContact CA-O 3.21Å |
| 1728 | K | 89.6 | Confident | 79.4 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 47% | 0.47 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.8 | 156.3 | -178.2 | -170.6 | 175 | -164 | 0 | 107.2 | D1764 | K1728-D1764 HydrophobicContact CB-CB 4.4Å; K1728-D1764 PolarHBondContact N-O 2.85Å; K1728-D1764 PolarHBondContact O-N 3.16Å |
| 1729 | I | 90.7 | Very high | 80 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139 | 174.3 | -55.4 | -171.6 | 0 | 0 | 0 | 108.3 | S1736 V1737 C1739 I1751 F1753 Y1761 T1762 I1763 | I1729-S1736 CarbonylContact O-C 3.59Å; I1729-S1736 WeakPolarHBondContact O-CA 3.03Å; I1729-V1737 HydrophobicContact CB-CB 4.19Å; I1729-V1737 HydrophobicContact CG2-CB 4.03Å; I1729-V1737 HydrophobicContact CG2-CG2 4.48Å; I1729-V1737 PolarHBondContact O-N 2.72Å; I1729-C1739 HydrophobicContact CD1-CB 3.65Å; I1729-C1739 HydrophobicContact CG1-CB 3.97Å; I1729-I1751 HydrophobicContact CD1-CG2 4.21Å; I1729-F1753 HydrophobicContact CD1-CB 3.89Å; I1729-F1753 HydrophobicContact CD1-CD1 3.25Å; I1729-F1753 HydrophobicContact CD1-CD2 4.33Å; I1729-F1753 HydrophobicContact CD1-CE1 3.77Å; I1729-F1753 HydrophobicContact CD1-CG 3.58Å; I1729-F1753 HydrophobicContact CD1-CZ 4.48Å; I1729-F1753 HydrophobicContact CG2-CD2 4.39Å; I1729-F1753 HydrophobicContact CG2-CE2 4.32Å; I1729-F1753 HydrophobicContact CG2-CZ 4.47Å; I1729-Y1761 HydrophobicContact CG2-CD1 4.44Å; I1729-T1762 CarbonylContact C-O 3.58Å; I1729-T1762 WeakPolarHBondContact CA-O 3.43Å; I1729-I1763 HydrophobicContact CD1-CD1 4.39Å; I1729-I1763 HydrophobicContact CD1-CG1 4.07Å; I1729-I1763 HydrophobicContact CD1-CG2 4.3Å; I1729-I1763 HydrophobicContact CG1-CB 4.43Å; I1729-I1763 HydrophobicContact CG1-CG1 4.16Å; I1729-I1763 HydrophobicContact CG1-CG2 4.14Å; I1729-I1763 HydrophobicContact CG2-CG1 4.23Å |
| 1730 | T | 88.7 | Confident | 81 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 14% | 0.135 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.6 | 168.3 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | H1735 Y1761 T1762 | T1730-H1735 WeakPolarHBondContact CA-O 3.21Å; T1730-H1735 WeakPolarHBondContact CB-O 3.34Å; T1730-Y1761 CarbonylContact O-C 3.49Å; T1730-Y1761 VanDerWaalsContact O-CA 3.3Å; T1730-Y1761 WeakPolarHBondContact O-CA 3.02Å; T1730-T1762 PolarHBondContact N-O 3.24Å; T1730-T1762 PolarHBondContact O-N 2.7Å |
| 1731 | D | 86.3 | Confident | 82.2 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.16 | 39% | 0.394 | C | S | . | . | trans | -75.7 | -170.4 | 166.8 | 60.2 | 20.9 | 0 | 0 | 0 | 111.4 | D1733 G1734 H1735 V1737 Y1761 | D1731-D1733 VanDerWaalsContact C-N 3.31Å; D1731-D1733 PolarHBondContact OD1-N 2.92Å; D1731-D1733 VanDerWaalsContact OD1-N 3.12Å; D1731-G1734 PolarHBondContact O-N 3.11Å; D1731-G1734 PolarHBondContact OD1-N 2.78Å; D1731-H1735 PolarHBondContact N-O 3.32Å; D1731-H1735 IonicContact OD1-CG 3.67Å; D1731-H1735 PolarHBondContact OD1-N 2.71Å; D1731-H1735 IonicContact OD1-ND1 2.72Å; D1731-H1735 WeakPolarHBondContact OD2-CB 3.14Å; D1731-H1735 IonicContact OD2-CG 2.68Å; D1731-H1735 IonicContact OD2-ND1 3.63Å; D1731-H1735 PolarHBondContact OD2-ND1 2.68Å; D1731-H1735 VanDerWaalsContact OD2-ND1 3.12Å; D1731-V1737 HydrophobicContact CB-CG2 4.18Å; D1731-Y1761 HydrophobicContact CB-CD1 4.17Å; D1731-Y1761 HydrophobicContact CB-CE1 3.97Å | ||
| 1732 | A | 75.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -68.6 | -27.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1760 | A1732-Y1760 PolarHBondContact N-O 2.68Š|
| 1733 | D | 81.2 | Confident | 84.5 | Confident | 138 Ų | 138 | 72.4 Ų | 72.4 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -84.9 | -13.4 | 177.4 | -65.2 | -38.7 | 0 | 0 | 0 | 112.5 | D1731 H1735 | D1731-D1733 VanDerWaalsContact C-N 3.31Å; D1731-D1733 PolarHBondContact OD1-N 2.92Å; D1731-D1733 VanDerWaalsContact OD1-N 3.12Å; D1733-H1735 VanDerWaalsContact CB-CE1 3.42Å; D1733-H1735 WeakPolarHBondContact CB-CE1 3.48Å; D1733-H1735 IonicContact OD2-CE1 3.54Å |
| 1734 | G | 78.3 | Confident | 84.7 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | trans | 95.2 | 6.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1731 | D1731-G1734 PolarHBondContact O-N 3.11Å; D1731-G1734 PolarHBondContact OD1-N 2.78Å | ||
| 1735 | H | 83 | Confident | 84.4 | Confident | 113 Ų | 113 | 74.8 Ų | 74.8 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | trans | -68.6 | 143.2 | 175.8 | -49.5 | 107.2 | 0 | 0 | 0 | 110.7 | T1730 D1731 D1733 V1737 | T1730-H1735 WeakPolarHBondContact CA-O 3.21Å; T1730-H1735 WeakPolarHBondContact CB-O 3.34Å; D1731-H1735 PolarHBondContact N-O 3.32Å; D1731-H1735 IonicContact OD1-CG 3.67Å; D1731-H1735 PolarHBondContact OD1-N 2.71Å; D1731-H1735 IonicContact OD1-ND1 2.72Å; D1731-H1735 WeakPolarHBondContact OD2-CB 3.14Å; D1731-H1735 IonicContact OD2-CG 2.68Å; D1731-H1735 IonicContact OD2-ND1 3.63Å; D1731-H1735 PolarHBondContact OD2-ND1 2.68Å; D1731-H1735 VanDerWaalsContact OD2-ND1 3.12Å; D1733-H1735 VanDerWaalsContact CB-CE1 3.42Å; D1733-H1735 WeakPolarHBondContact CB-CE1 3.48Å; D1733-H1735 IonicContact OD2-CE1 3.54Å; H1735-V1737 PolarHBondContact O-N 2.81Å | ||
| 1736 | S | 82.4 | Confident | 83.9 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 109.8 | -178.7 | -160.8 | 0 | 0 | 0 | 0 | 111.3 | I1729 | I1729-S1736 CarbonylContact O-C 3.59Å; I1729-S1736 WeakPolarHBondContact O-CA 3.03Å |
| 1737 | V | 85.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 138.8 | 175 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | I1729 D1731 H1735 C1739 F1753 Y1761 | I1729-V1737 HydrophobicContact CB-CB 4.19Å; I1729-V1737 HydrophobicContact CG2-CB 4.03Å; I1729-V1737 HydrophobicContact CG2-CG2 4.48Å; I1729-V1737 PolarHBondContact O-N 2.72Å; D1731-V1737 HydrophobicContact CB-CG2 4.18Å; H1735-V1737 PolarHBondContact O-N 2.81Å; V1737-C1739 PolarHBondContact O-N 3.03Å; V1737-F1753 HydrophobicContact CG1-CD2 4.02Å; V1737-Y1761 HydrophobicContact CG2-CD1 4.06Å; V1737-Y1761 HydrophobicContact CG2-CE1 3.97Å |
| 1738 | K | 85.1 | Confident | 82.8 | Confident | 194 Ų | 194 | 76 Ų | 76 | 84% | 0.843 | 41% | 0.409 | S | S | * | . | trans | -76.2 | 112.9 | -179.7 | -173.6 | -178.1 | 179.8 | -176.6 | 0 | 110.7 | ||||
| 1739 | C | 87.5 | Confident | 82.6 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 165.5 | 172.9 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | A1727 I1729 V1737 T1752 F1753 | A1727-C1739 PolarHBondContact O-SG 2.69Å; A1727-C1739 VanDerWaalsContact O-SG 3.34Å; I1729-C1739 HydrophobicContact CD1-CB 3.65Å; I1729-C1739 HydrophobicContact CG1-CB 3.97Å; V1737-C1739 PolarHBondContact O-N 3.03Å; C1739-T1752 CarbonylContact C-O 3.53Å; C1739-T1752 VanDerWaalsContact CA-O 3.23Å; C1739-T1752 WeakPolarHBondContact CA-O 3.16Å; C1739-T1752 WeakPolarHBondContact CB-O 3.29Å; C1739-F1753 HydrophobicContact CB-CB 4.26Å |
| 1740 | N | 85.3 | Confident | 82.4 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140 | 170.8 | 179.7 | 32.9 | 0 | 0 | 0 | 109.6 | T1752 | N1740-T1752 PolarHBondContact N-O 3.46Å; N1740-T1752 PolarHBondContact O-N 3.02Å; N1740-T1752 PolarHBondContact O-OG1 3.13Å |
| 1741 | T | 86.6 | Confident | 82.3 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.1 | -174.6 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | A1727 E1750 I1751 | A1727-T1741 HydrophobicContact CB-CG2 3.6Å; T1741-E1750 WeakPolarHBondContact CA-O 3.48Å; T1741-I1751 HydrophobicContact CG2-CG1 4.13Å; T1741-I1751 HydrophobicContact CG2-CG2 4.39Å |
| 1742 | R | 87 | Confident | 82.4 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.3 | 178.9 | 65.9 | 178 | -178.2 | 166.6 | 3.9 | 112 | W1749 E1750 | R1742-W1749 CarbonylContact O-C 3.26Å; R1742-W1749 WeakPolarHBondContact O-CA 3.36Å; R1742-E1750 HydrophobicContact CG-CB 4.17Å; R1742-E1750 IonicContact CZ-OE2 2.72Å; R1742-E1750 PolarHBondContact N-O 3.23Å; R1742-E1750 IonicContact NE-OE2 3.6Å; R1742-E1750 PolarHBondContact NE-OE2 3.06Å; R1742-E1750 IonicContact NH2-OE1 2.71Å; R1742-E1750 IonicContact NH2-OE2 3.41Å; R1742-E1750 PolarHBondContact NH2-OE2 2.85Å; R1742-E1750 PolarHBondContact O-N 2.76Å |
| 1743 | K | 84 | Confident | 83 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 146.8 | 168.8 | -163.2 | -178.2 | -178.5 | -176.4 | 0 | 110.1 | G1721 G1747 K1748 W1749 | G1721-K1743 PolarHBondContact O-NZ 2.89Å; K1743-G1747 WeakPolarHBondContact CE-O 3.31Å; K1743-K1748 CarbonylContact C-O 3.53Å; K1743-K1748 WeakPolarHBondContact CA-O 3.29Å; K1743-K1748 WeakPolarHBondContact CG-O 3.46Å; K1743-W1749 HydrophobicContact CB-CD2 3.99Å; K1743-W1749 HydrophobicContact CB-CE3 4.03Å; K1743-W1749 HydrophobicContact CB-CH2 4.02Å; K1743-W1749 HydrophobicContact CB-CZ2 3.97Å; K1743-W1749 HydrophobicContact CB-CZ3 4.06Å; K1743-W1749 HydrophobicContact CD-CZ2 4.08Å; K1743-W1749 HydrophobicContact CG-CD2 4.25Å; K1743-W1749 HydrophobicContact CG-CZ2 4.21Å |
| 1744 | R | 79.9 | Confident | 83.3 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | trans | -112.2 | 167.8 | 176.6 | -72 | -177.1 | 66.4 | -97.5 | -5.6 | 112.7 | I431 D432 D1746 G1747 K1748 | I431-R1744 PolarHBondContact O-NH1 2.91Å; D432-R1744 PolarHBondContact O-NE 2.97Å; D432-R1744 PolarHBondContact O-NH2 2.88Å; D432-R1744 WeakPolarHBondContact OD1-CD 3.4Å; D432-R1744 IonicContact OD1-CZ 2.58Å; D432-R1744 IonicContact OD1-NE 3.23Å; D432-R1744 PolarHBondContact OD1-NE 3.47Å; D432-R1744 VanDerWaalsContact OD1-NE 3.13Å; D432-R1744 IonicContact OD1-NH1 3.96Å; D432-R1744 PolarHBondContact OD1-NH1 3.2Å; D432-R1744 WeakPolarHBondContact OD2-CD 3.37Å; D432-R1744 IonicContact OD2-NE 3Å; R1744-D1746 WeakPolarHBondContact CB-OD1 3.4Å; R1744-D1746 VanDerWaalsContact NH1-CG 3.28Å; R1744-D1746 IonicContact NH1-OD1 3.48Å; R1744-D1746 PolarHBondContact NH1-OD1 2.89Å; R1744-D1746 IonicContact NH1-OD2 2.86Å; R1744-D1746 PolarHBondContact NH1-OD2 3.31Å; R1744-D1746 PolarHBondContact O-N 3.11Å; R1744-G1747 PolarHBondContact O-N 2.85Å; R1744-K1748 PolarHBondContact N-O 3.39Å | ||
| 1745 | D | 76.1 | Confident | 83.5 | Confident | 158 Ų | 158 | 63.1 Ų | 63.1 | 85% | 0.845 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.5 | -173.6 | -53.4 | -47.3 | 0 | 0 | 0 | 113.6 | G1747 | D1745-G1747 PolarHBondContact O-N 2.83Š|
| 1746 | D | 74.7 | Confident | 83.5 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.2 | 171.7 | 66.2 | -4.5 | 0 | 0 | 0 | 113.5 | R1744 K1748 | R1744-D1746 WeakPolarHBondContact CB-OD1 3.4Å; R1744-D1746 VanDerWaalsContact NH1-CG 3.28Å; R1744-D1746 IonicContact NH1-OD1 3.48Å; R1744-D1746 PolarHBondContact NH1-OD1 2.89Å; R1744-D1746 IonicContact NH1-OD2 2.86Å; R1744-D1746 PolarHBondContact NH1-OD2 3.31Å; R1744-D1746 PolarHBondContact O-N 3.11Å; D1746-K1748 WeakPolarHBondContact OD1-CB 3.47Å; D1746-K1748 WeakPolarHBondContact OD1-CG 3.46Å; D1746-K1748 PolarHBondContact OD1-N 2.61Å; D1746-K1748 VanDerWaalsContact OD1-N 3.11Å; D1746-K1748 WeakPolarHBondContact OD2-CD 3.45Å |
| 1747 | G | 71.2 | Confident | 83.6 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 91.7 | -8.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1743 R1744 D1745 | K1743-G1747 WeakPolarHBondContact CE-O 3.31Å; R1744-G1747 PolarHBondContact O-N 2.85Å; D1745-G1747 PolarHBondContact O-N 2.83Å |
| 1748 | K | 80.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | trans | -82.7 | 168.2 | -176.5 | -50.4 | -173.4 | -168.2 | -157.3 | 0 | 112.3 | L1715 E1717 K1743 R1744 D1746 | L1715-K1748 HydrophobicContact CD2-CB 3.45Å; L1715-K1748 VanDerWaalsContact CD2-CB 3.45Å; L1715-K1748 HydrophobicContact CD2-CD 3.76Å; L1715-K1748 HydrophobicContact CD2-CG 4.23Å; E1717-K1748 HydrophobicContact CG-CD 3.92Å; E1717-K1748 HydrophobicContact CG-CG 4.08Å; E1717-K1748 VanDerWaalsContact OE1-CE 3.25Å; E1717-K1748 WeakPolarHBondContact OE1-CE 3.39Å; E1717-K1748 IonicContact OE1-NZ 2.62Å; E1717-K1748 PolarHBondContact OE1-NZ 3.06Å; K1743-K1748 CarbonylContact C-O 3.53Å; K1743-K1748 WeakPolarHBondContact CA-O 3.29Å; K1743-K1748 WeakPolarHBondContact CG-O 3.46Å; R1744-K1748 PolarHBondContact N-O 3.39Å; D1746-K1748 WeakPolarHBondContact OD1-CB 3.47Å; D1746-K1748 WeakPolarHBondContact OD1-CG 3.46Å; D1746-K1748 PolarHBondContact OD1-N 2.61Å; D1746-K1748 VanDerWaalsContact OD1-N 3.11Å; D1746-K1748 WeakPolarHBondContact OD2-CD 3.45Å | ||
| 1749 | W | 84.5 | Confident | 83.5 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 11% | 0.114 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127 | 175.2 | -71.4 | 87.5 | 0 | 0 | 0 | 111.2 | V1716 D1723 E1724 V1725 R1742 K1743 | V1716-W1749 HydrophobicContact CB-CB 4.47Å; V1716-W1749 PolarHBondContact N-O 2.8Å; V1716-W1749 PolarHBondContact O-N 2.8Å; D1723-W1749 VanDerWaalsContact O-CZ2 3.25Å; D1723-W1749 WeakPolarHBondContact O-CZ2 3.43Å; D1723-W1749 PolarHBondContact O-NE1 2.88Å; D1723-W1749 VanDerWaalsContact O-NE1 3.13Å; E1724-W1749 HydrophobicContact CB-CH2 4.36Å; E1724-W1749 HydrophobicContact CG-CH2 3.94Å; V1725-W1749 HydrophobicContact CB-CB 4.12Å; V1725-W1749 HydrophobicContact CB-CD2 3.83Å; V1725-W1749 HydrophobicContact CB-CE3 4.08Å; V1725-W1749 HydrophobicContact CB-CG 3.85Å; V1725-W1749 HydrophobicContact CG2-CB 3.93Å; V1725-W1749 VanDerWaalsContact CG2-CD1 3.5Å; V1725-W1749 HydrophobicContact CG2-CD2 3.84Å; V1725-W1749 HydrophobicContact CG2-CG 3.49Å; V1725-W1749 VanDerWaalsContact CG2-CG 3.49Å; R1742-W1749 CarbonylContact O-C 3.26Å; R1742-W1749 WeakPolarHBondContact O-CA 3.36Å; K1743-W1749 HydrophobicContact CB-CD2 3.99Å; K1743-W1749 HydrophobicContact CB-CE3 4.03Å; K1743-W1749 HydrophobicContact CB-CH2 4.02Å; K1743-W1749 HydrophobicContact CB-CZ2 3.97Å; K1743-W1749 HydrophobicContact CB-CZ3 4.06Å; K1743-W1749 HydrophobicContact CD-CZ2 4.08Å; K1743-W1749 HydrophobicContact CG-CD2 4.25Å; K1743-W1749 HydrophobicContact CG-CZ2 4.21Å |
| 1750 | E | 86.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.6 | 174.6 | -170.8 | -168.1 | 174.8 | 0 | 0 | 109.6 | D432 R1713 T1741 R1742 T1752 | D432-E1750 WeakPolarHBondContact OD2-CB 3.5Å; D432-E1750 WeakPolarHBondContact OD2-CG 3.29Å; R1713-E1750 IonicContact CZ-OE1 3.15Å; R1713-E1750 IonicContact NE-OE1 3.37Å; R1713-E1750 IonicContact NH1-OE1 2.87Å; R1713-E1750 PolarHBondContact NH1-OE1 3.46Å; T1741-E1750 WeakPolarHBondContact CA-O 3.48Å; R1742-E1750 HydrophobicContact CG-CB 4.17Å; R1742-E1750 IonicContact CZ-OE2 2.72Å; R1742-E1750 PolarHBondContact N-O 3.23Å; R1742-E1750 IonicContact NE-OE2 3.6Å; R1742-E1750 PolarHBondContact NE-OE2 3.06Å; R1742-E1750 IonicContact NH2-OE1 2.71Å; R1742-E1750 IonicContact NH2-OE2 3.41Å; R1742-E1750 PolarHBondContact NH2-OE2 2.85Å; R1742-E1750 PolarHBondContact O-N 2.76Å; E1750-T1752 HydrophobicContact CG-CG2 3.81Å; E1750-T1752 VanDerWaalsContact OE1-CG2 3.27Å; E1750-T1752 WeakPolarHBondContact OE1-CG2 3.35Å |
| 1751 | I | 88.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.1 | 169.8 | -54.4 | 173.2 | 0 | 0 | 0 | 107.8 | R1713 L1714 V1716 A1727 I1729 T1741 A1765 | R1713-I1751 CarbonylContact C-O 3.57Å; R1713-I1751 WeakPolarHBondContact CA-O 3.39Å; L1714-I1751 HydrophobicContact CB-CB 4.41Å; L1714-I1751 PolarHBondContact N-O 3.06Å; L1714-I1751 PolarHBondContact O-N 3.44Å; V1716-I1751 HydrophobicContact CG2-CD1 3.6Å; V1716-I1751 HydrophobicContact CG2-CG1 4.17Å; A1727-I1751 HydrophobicContact CB-CD1 3.96Å; A1727-I1751 HydrophobicContact CB-CG1 4.19Å; A1727-I1751 HydrophobicContact CB-CG2 3.62Å; I1729-I1751 HydrophobicContact CD1-CG2 4.21Å; T1741-I1751 HydrophobicContact CG2-CG1 4.13Å; T1741-I1751 HydrophobicContact CG2-CG2 4.39Å; I1751-A1765 HydrophobicContact CD1-CB 3.6Å |
| 1752 | T | 87.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.4 | -179.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | A1712 R1713 C1739 N1740 E1750 | A1712-T1752 VanDerWaalsContact O-CA 3.3Å; A1712-T1752 WeakPolarHBondContact O-CA 3.38Å; R1713-T1752 HydrophobicContact CG-CG2 4.12Å; C1739-T1752 CarbonylContact C-O 3.53Å; C1739-T1752 VanDerWaalsContact CA-O 3.23Å; C1739-T1752 WeakPolarHBondContact CA-O 3.16Å; C1739-T1752 WeakPolarHBondContact CB-O 3.29Å; N1740-T1752 PolarHBondContact N-O 3.46Å; N1740-T1752 PolarHBondContact O-N 3.02Å; N1740-T1752 PolarHBondContact O-OG1 3.13Å; E1750-T1752 HydrophobicContact CG-CG2 3.81Å; E1750-T1752 VanDerWaalsContact OE1-CG2 3.27Å; E1750-T1752 WeakPolarHBondContact OE1-CG2 3.35Å |
| 1753 | F | 89.3 | Confident | 83.7 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 166.2 | 172.3 | 71.8 | -76.2 | 0 | 0 | 0 | 111.5 | T1711 A1712 I1729 V1737 C1739 P1755 Y1761 I1763 F1779 | T1711-F1753 CarbonylContact C-O 3.52Å; T1711-F1753 WeakPolarHBondContact CA-O 3.46Å; A1712-F1753 HydrophobicContact CB-CD1 3.62Å; A1712-F1753 HydrophobicContact CB-CD2 4.42Å; A1712-F1753 HydrophobicContact CB-CE1 3.3Å; A1712-F1753 HydrophobicContact CB-CE2 4.17Å; A1712-F1753 HydrophobicContact CB-CG 4.19Å; A1712-F1753 HydrophobicContact CB-CZ 3.61Å; A1712-F1753 PolarHBondContact N-O 2.87Å; A1712-F1753 PolarHBondContact O-N 2.87Å; A1712-F1753 VanDerWaalsContact O-N 3.08Å; I1729-F1753 HydrophobicContact CD1-CB 3.89Å; I1729-F1753 HydrophobicContact CD1-CD1 3.25Å; I1729-F1753 HydrophobicContact CD1-CD2 4.33Å; I1729-F1753 HydrophobicContact CD1-CE1 3.77Å; I1729-F1753 HydrophobicContact CD1-CG 3.58Å; I1729-F1753 HydrophobicContact CD1-CZ 4.48Å; I1729-F1753 HydrophobicContact CG2-CD2 4.39Å; I1729-F1753 HydrophobicContact CG2-CE2 4.32Å; I1729-F1753 HydrophobicContact CG2-CZ 4.47Å; V1737-F1753 HydrophobicContact CG1-CD2 4.02Å; C1739-F1753 HydrophobicContact CB-CB 4.26Å; F1753-P1755 HydrophobicContact CE2-CB 4.15Å; F1753-Y1761 AromaticContact CE2-CD1 3.92Å; F1753-Y1761 HydrophobicContact CE2-CD1 3.92Å; F1753-Y1761 HydrophobicContact CE2-CE1 4.32Å; F1753-Y1761 HydrophobicContact CE2-CG 4.14Å; F1753-Y1761 HydrophobicContact CZ-CG 4.49Å; F1753-I1763 HydrophobicContact CE1-CD1 3.75Å; F1753-I1763 HydrophobicContact CE1-CG1 4.41Å; F1753-I1763 HydrophobicContact CZ-CD1 4.32Å; F1753-F1779 HydrophobicContact CZ-CD1 4.04Å; F1753-F1779 HydrophobicContact CZ-CE1 4.32Å; F1753-F1779 HydrophobicContact CZ-CG 4.44Å |
| 1754 | L | 86.2 | Confident | 84 | Confident | 92 Ų | 92 | 45.1 Ų | 45.1 | 48% | 0.482 | 24% | 0.243 | S | C | . | . | trans | -114.1 | 113.8 | 173.9 | -172 | 70.9 | 0 | 0 | 0 | 108.4 | A1709 | A1709-L1754 WeakPolarHBondContact O-CD1 3.25Š| ||
| 1755 | P | 83.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | trans | -74.1 | 142.2 | 174.8 | 32 | -33.1 | 0 | 0 | 0 | 110.5 | E1710 F1753 Y1761 V1781 | E1710-P1755 WeakPolarHBondContact O-CD 3.2Å; F1753-P1755 HydrophobicContact CE2-CB 4.15Å; P1755-Y1761 HydrophobicContact CB-CE1 4.2Å; P1755-Y1761 HydrophobicContact CB-CE2 3.9Å; P1755-Y1761 WeakPolarHBondContact CB-OH 3Å; P1755-V1781 HydrophobicContact CB-CB 4.43Å; P1755-V1781 HydrophobicContact CB-CG1 3.95Å; P1755-V1781 HydrophobicContact CB-CG2 3.8Å; P1755-V1781 HydrophobicContact CG-CG1 3.91Å; P1755-V1781 HydrophobicContact CG-CG2 4.05Å | ||
| 1756 | V | 82.2 | Confident | 84.9 | Confident | 117 Ų | 117 | 37.9 Ų | 37.9 | 71% | 0.709 | 21% | 0.206 | S | C | * | . | trans | -106.3 | -19.8 | -174.8 | -66.5 | 0 | 0 | 0 | 0 | 113.6 | Y1761 | V1756-Y1761 PolarHBondContact N-OH 3.15Š| ||
| 1757 | D | 84.8 | Confident | 85.3 | Confident | 95 Ų | 95 | 35.3 Ų | 35.3 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -141.4 | 166.3 | 170.2 | -150.8 | -12.6 | 0 | 0 | 0 | 111.7 | Y1761 | D1757-Y1761 PolarHBondContact N-OH 2.81Å; D1757-Y1761 VanDerWaalsContact N-OH 3.12Å; D1757-Y1761 WeakPolarHBondContact O-CE2 3.3Å; D1757-Y1761 PolarHBondContact O-OH 2.8Å |
| 1758 | V | 83.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -73.9 | 153.2 | 174.1 | -72.3 | 0 | 0 | 0 | 0 | 112 | L1708 V1781 D1783 | L1708-V1758 HydrophobicContact CB-CG1 4.2Å; L1708-V1758 HydrophobicContact CD2-CG1 4.11Å; V1758-V1781 WeakPolarHBondContact CA-O 3.39Å; V1758-D1783 HydrophobicContact CG1-CB 3.58Å |
| 1759 | G | 84.1 | Confident | 85.6 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | -159.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1781 | G1759-V1781 PolarHBondContact N-O 3.22Å; G1759-V1781 PolarHBondContact O-N 3.27Å |
| 1760 | Y | 84.7 | Confident | 85.4 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.5 | 178.6 | -58.6 | -71.6 | 0 | 0 | 0 | 111 | A1732 T1780 P1815 | A1732-Y1760 PolarHBondContact N-O 2.68Å; Y1760-T1780 HydrophobicContact CD1-CG2 4.33Å; Y1760-T1780 HydrophobicContact CE1-CG2 4.09Å; Y1760-P1815 HydrophobicContact CD1-CG 4.44Å; Y1760-P1815 HydrophobicContact CD2-CG 4.4Å; Y1760-P1815 HydrophobicContact CE1-CB 4.3Å; Y1760-P1815 HydrophobicContact CE1-CG 3.97Å; Y1760-P1815 HydrophobicContact CE2-CB 4Å; Y1760-P1815 HydrophobicContact CE2-CG 3.93Å; Y1760-P1815 WeakPolarHBondContact OH-CB 3.21Å |
| 1761 | Y | 88.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 152.9 | 169.2 | -66.8 | -107.1 | 0 | 0 | 0 | 109.1 | I1729 T1730 D1731 V1737 F1753 P1755 V1756 D1757 R1778 F1779 V1781 | I1729-Y1761 HydrophobicContact CG2-CD1 4.44Å; T1730-Y1761 CarbonylContact O-C 3.49Å; T1730-Y1761 VanDerWaalsContact O-CA 3.3Å; T1730-Y1761 WeakPolarHBondContact O-CA 3.02Å; D1731-Y1761 HydrophobicContact CB-CD1 4.17Å; D1731-Y1761 HydrophobicContact CB-CE1 3.97Å; V1737-Y1761 HydrophobicContact CG2-CD1 4.06Å; V1737-Y1761 HydrophobicContact CG2-CE1 3.97Å; F1753-Y1761 AromaticContact CE2-CD1 3.92Å; F1753-Y1761 HydrophobicContact CE2-CD1 3.92Å; F1753-Y1761 HydrophobicContact CE2-CE1 4.32Å; F1753-Y1761 HydrophobicContact CE2-CG 4.14Å; F1753-Y1761 HydrophobicContact CZ-CG 4.49Å; P1755-Y1761 HydrophobicContact CB-CE1 4.2Å; P1755-Y1761 HydrophobicContact CB-CE2 3.9Å; P1755-Y1761 WeakPolarHBondContact CB-OH 3Å; V1756-Y1761 PolarHBondContact N-OH 3.15Å; D1757-Y1761 PolarHBondContact N-OH 2.81Å; D1757-Y1761 VanDerWaalsContact N-OH 3.12Å; D1757-Y1761 WeakPolarHBondContact O-CE2 3.3Å; D1757-Y1761 PolarHBondContact O-OH 2.8Å; Y1761-R1778 CarbonylContact O-C 3.59Å; Y1761-R1778 WeakPolarHBondContact O-CA 2.85Å; Y1761-F1779 PolarHBondContact N-O 3.26Å; Y1761-F1779 PolarHBondContact O-N 3.48Å; Y1761-V1781 HydrophobicContact CD2-CB 4.17Å; Y1761-V1781 HydrophobicContact CD2-CG2 3.47Å; Y1761-V1781 VanDerWaalsContact CD2-CG2 3.47Å; Y1761-V1781 HydrophobicContact CE2-CB 3.84Å; Y1761-V1781 HydrophobicContact CE2-CG2 3.46Å; Y1761-V1781 VanDerWaalsContact CE2-CG2 3.46Å |
| 1762 | T | 87.8 | Confident | 84.8 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.8 | 174 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | I1729 T1730 P1776 M1777 | I1729-T1762 CarbonylContact C-O 3.58Å; I1729-T1762 WeakPolarHBondContact CA-O 3.43Å; T1730-T1762 PolarHBondContact N-O 3.24Å; T1730-T1762 PolarHBondContact O-N 2.7Å; T1762-P1776 HydrophobicContact CG2-CB 3.85Å; T1762-M1777 CarbonylContact C-O 3.58Å; T1762-M1777 WeakPolarHBondContact CA-O 3.33Å |
| 1763 | I | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.4 | 178.9 | -54.8 | 178.1 | 0 | 0 | 0 | 108.1 | L1714 I1729 F1753 F1775 P1776 M1777 F1779 | L1714-I1763 HydrophobicContact CD2-CD1 4.12Å; L1714-I1763 HydrophobicContact CD2-CG2 4.18Å; I1729-I1763 HydrophobicContact CD1-CD1 4.39Å; I1729-I1763 HydrophobicContact CD1-CG1 4.07Å; I1729-I1763 HydrophobicContact CD1-CG2 4.3Å; I1729-I1763 HydrophobicContact CG1-CB 4.43Å; I1729-I1763 HydrophobicContact CG1-CG1 4.16Å; I1729-I1763 HydrophobicContact CG1-CG2 4.14Å; I1729-I1763 HydrophobicContact CG2-CG1 4.23Å; F1753-I1763 HydrophobicContact CE1-CD1 3.75Å; F1753-I1763 HydrophobicContact CE1-CG1 4.41Å; F1753-I1763 HydrophobicContact CZ-CD1 4.32Å; I1763-F1775 HydrophobicContact CB-CE1 4.46Å; I1763-F1775 HydrophobicContact CG2-CD1 4.23Å; I1763-F1775 HydrophobicContact CG2-CE1 3.85Å; I1763-F1775 WeakPolarHBondContact O-CD1 3.47Å; I1763-P1776 CarbonylContact O-C 3.58Å; I1763-P1776 WeakPolarHBondContact O-CA 3.25Å; I1763-M1777 HydrophobicContact CB-CG 4.01Å; I1763-M1777 PolarHBondContact N-O 3.27Å; I1763-M1777 PolarHBondContact O-N 2.81Å; I1763-F1779 HydrophobicContact CD1-CB 3.76Å; I1763-F1779 HydrophobicContact CD1-CD2 3.56Å; I1763-F1779 HydrophobicContact CD1-CE2 4.36Å; I1763-F1779 HydrophobicContact CD1-CG 3.82Å; I1763-F1779 HydrophobicContact CG1-CB 4.16Å |
| 1764 | D | 90.4 | Very high | 83.4 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 100.1 | 177.5 | 179 | 23.3 | 0 | 0 | 0 | 109.3 | A1727 K1728 Q1766 S1771 P1776 | A1727-D1764 CarbonylContact C-O 3.51Å; A1727-D1764 WeakPolarHBondContact CA-O 3.21Å; K1728-D1764 HydrophobicContact CB-CB 4.4Å; K1728-D1764 PolarHBondContact N-O 2.85Å; K1728-D1764 PolarHBondContact O-N 3.16Å; D1764-Q1766 PolarHBondContact OD2-NE2 3.2Å; D1764-S1771 VanDerWaalsContact OD1-CB 3.27Å; D1764-S1771 WeakPolarHBondContact OD1-CB 3.4Å; D1764-S1771 PolarHBondContact OD1-OG 3.29Å; D1764-P1776 HydrophobicContact CB-CB 4.06Å |
| 1765 | A | 88 | Confident | 83.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | V1725 I1751 S1771 L1772 F1775 | V1725-A1765 HydrophobicContact CG1-CB 4.22Å; I1751-A1765 HydrophobicContact CD1-CB 3.6Å; A1765-S1771 CarbonylContact O-C 3.49Å; A1765-S1771 WeakPolarHBondContact O-CA 3.45Å; A1765-L1772 HydrophobicContact CB-CD1 4.21Å; A1765-L1772 PolarHBondContact O-N 2.78Å; A1765-F1775 HydrophobicContact CB-CD1 3.58Å; A1765-F1775 HydrophobicContact CB-CD2 3.78Å; A1765-F1775 HydrophobicContact CB-CE1 3.55Å; A1765-F1775 HydrophobicContact CB-CE2 3.77Å; A1765-F1775 HydrophobicContact CB-CG 3.69Å; A1765-F1775 HydrophobicContact CB-CZ 3.65Å |
| 1766 | Q | 87.6 | Confident | 83.2 | Confident | 51 Ų | 51 | 70.2 Ų | 70.2 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139.4 | -173.7 | -55.3 | -175 | -0 | 0 | 0 | 112.6 | V1725 K1726 D1764 K1770 | V1725-Q1766 WeakPolarHBondContact CA-O 3.41Å; K1726-Q1766 PolarHBondContact N-O 2.74Å; K1726-Q1766 WeakPolarHBondContact O-CB 3.33Å; K1726-Q1766 PolarHBondContact O-N 2.91Å; D1764-Q1766 PolarHBondContact OD2-NE2 3.2Å; Q1766-K1770 CarbonylContact C-O 3.53Å; Q1766-K1770 WeakPolarHBondContact CA-O 3.38Å |
| 1767 | V | 82.8 | Confident | 83.3 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.5 | 164.5 | 165.9 | 0 | 0 | 0 | 0 | 108.2 | V1718 D1723 V1725 R1769 K1770 L1772 | V1718-V1767 HydrophobicContact CG1-CG2 4.44Å; V1718-V1767 HydrophobicContact CG2-CG2 4.44Å; D1723-V1767 HydrophobicContact CB-CG1 3.65Å; V1725-V1767 HydrophobicContact CG2-CG2 3.8Å; V1767-R1769 PolarHBondContact O-N 3.21Å; V1767-R1769 VanDerWaalsContact O-N 3.11Å; V1767-K1770 PolarHBondContact N-O 2.89Å; V1767-K1770 PolarHBondContact O-N 2.98Å; V1767-K1770 VanDerWaalsContact O-O 3.14Å; V1767-L1772 HydrophobicContact CB-CD2 4.12Å; V1767-L1772 HydrophobicContact CG2-CD1 4.15Å; V1767-L1772 HydrophobicContact CG2-CD2 3.8Å; V1767-L1772 HydrophobicContact CG2-CG 4.17Å |
| 1768 | H | 81.1 | Confident | 83.1 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 68% | 0.676 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.6 | -178.1 | -63.9 | 113.2 | 0 | 0 | 0 | 114.8 | D1723 K1770 | D1723-H1768 IonicContact OD1-CE1 3.33Å; D1723-H1768 PolarHBondContact OD1-CE1 3.1Å; H1768-K1770 VanDerWaalsContact C-N 3.33Å |
| 1769 | R | 77.3 | Confident | 83.1 | Confident | 232 Ų | 232 | 66.9 Ų | 66.9 | 88% | 0.875 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 24.7 | -174.1 | -51.5 | -179.9 | 179.5 | 173.7 | -0.7 | 115.5 | V1767 | V1767-R1769 PolarHBondContact O-N 3.21Å; V1767-R1769 VanDerWaalsContact O-N 3.11Å |
| 1770 | K | 78.9 | Confident | 83.2 | Confident | 154 Ų | 154 | 67.5 Ų | 67.5 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.9 | 167.4 | -66.3 | -177.5 | 177.5 | -178.2 | 0 | 109.4 | Q1766 V1767 H1768 | Q1766-K1770 CarbonylContact C-O 3.53Å; Q1766-K1770 WeakPolarHBondContact CA-O 3.38Å; V1767-K1770 PolarHBondContact N-O 2.89Å; V1767-K1770 PolarHBondContact O-N 2.98Å; V1767-K1770 VanDerWaalsContact O-O 3.14Å; H1768-K1770 VanDerWaalsContact C-N 3.33Å |
| 1771 | S | 83.9 | Confident | 83.2 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.5 | 171.8 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | D1764 A1765 | D1764-S1771 VanDerWaalsContact OD1-CB 3.27Å; D1764-S1771 WeakPolarHBondContact OD1-CB 3.4Å; D1764-S1771 PolarHBondContact OD1-OG 3.29Å; A1765-S1771 CarbonylContact O-C 3.49Å; A1765-S1771 WeakPolarHBondContact O-CA 3.45Å |
| 1772 | L | 80.2 | Confident | 83.2 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 168.5 | 172.3 | -70.9 | 170.4 | 0 | 0 | 0 | 110.7 | V1716 V1718 V1725 A1765 V1767 F1775 | V1716-L1772 HydrophobicContact CG1-CD1 3.5Å; V1716-L1772 VanDerWaalsContact CG1-CD1 3.5Å; V1718-L1772 HydrophobicContact CG2-CD1 4.49Å; V1725-L1772 HydrophobicContact CG1-CD1 4.42Å; V1725-L1772 HydrophobicContact CG2-CD1 4.36Å; A1765-L1772 HydrophobicContact CB-CD1 4.21Å; A1765-L1772 PolarHBondContact O-N 2.78Å; V1767-L1772 HydrophobicContact CB-CD2 4.12Å; V1767-L1772 HydrophobicContact CG2-CD1 4.15Å; V1767-L1772 HydrophobicContact CG2-CD2 3.8Å; V1767-L1772 HydrophobicContact CG2-CG 4.17Å; L1772-F1775 HydrophobicContact CB-CD2 3.84Å; L1772-F1775 HydrophobicContact CB-CE2 4.48Å; L1772-F1775 PolarHBondContact O-N 2.8Å; L1772-F1775 VanDerWaalsContact O-N 3.16Å |
| 1773 | A | 71.7 | Confident | 83 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 69% | 0.694 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 144.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1775 | A1773-F1775 VanDerWaalsContact O-CD2 3.24Å; A1773-F1775 WeakPolarHBondContact O-CD2 3.3Å; A1773-F1775 PolarHBondContact O-N 2.88Å; A1773-F1775 VanDerWaalsContact O-N 3.16Å |
| 1774 | D | 73.7 | Confident | 82.6 | Confident | 150 Ų | 150 | 61.1 Ų | 61.1 | 80% | 0.802 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 0.7 | -173.7 | -50 | -40.5 | 0 | 0 | 0 | 116.6 | M1777 | D1774-M1777 WeakPolarHBondContact O-CB 3.13Š|
| 1775 | F | 83.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 66 Ų | 66 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | trans | -107.7 | 142 | 172.4 | -65.9 | -88.8 | 0 | 0 | 0 | 112.1 | L1714 V1716 I1763 A1765 L1772 A1773 M1777 | L1714-F1775 HydrophobicContact CD2-CE1 3.66Å; L1714-F1775 HydrophobicContact CD2-CZ 3.71Å; V1716-F1775 HydrophobicContact CG1-CE2 4.39Å; V1716-F1775 HydrophobicContact CG2-CE2 4.18Å; V1716-F1775 HydrophobicContact CG2-CZ 3.75Å; I1763-F1775 HydrophobicContact CB-CE1 4.46Å; I1763-F1775 HydrophobicContact CG2-CD1 4.23Å; I1763-F1775 HydrophobicContact CG2-CE1 3.85Å; I1763-F1775 WeakPolarHBondContact O-CD1 3.47Å; A1765-F1775 HydrophobicContact CB-CD1 3.58Å; A1765-F1775 HydrophobicContact CB-CD2 3.78Å; A1765-F1775 HydrophobicContact CB-CE1 3.55Å; A1765-F1775 HydrophobicContact CB-CE2 3.77Å; A1765-F1775 HydrophobicContact CB-CG 3.69Å; A1765-F1775 HydrophobicContact CB-CZ 3.65Å; L1772-F1775 HydrophobicContact CB-CD2 3.84Å; L1772-F1775 HydrophobicContact CB-CE2 4.48Å; L1772-F1775 PolarHBondContact O-N 2.8Å; L1772-F1775 VanDerWaalsContact O-N 3.16Å; A1773-F1775 VanDerWaalsContact O-CD2 3.24Å; A1773-F1775 WeakPolarHBondContact O-CD2 3.3Å; A1773-F1775 PolarHBondContact O-N 2.88Å; A1773-F1775 VanDerWaalsContact O-N 3.16Å; F1775-M1777 HydrophobicContact CD1-CG 4.07Å; F1775-M1777 HydrophobicContact CD1-SD 4.02Å; F1775-M1777 HydrophobicContact CE1-CG 3.98Å; F1775-M1777 HydrophobicContact CE1-SD 3.39Å; F1775-M1777 WeakPolarHBondContact CE1-SD 3.1Å; F1775-M1777 HydrophobicContact CZ-SD 3.8Å | ||
| 1776 | P | 83.8 | Confident | 81.6 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | S | Bend | cis | -77.5 | 136.3 | 2.1 | 30.6 | -35.6 | 0 | 0 | 0 | 114.2 | T1762 I1763 D1764 | T1762-P1776 HydrophobicContact CG2-CB 3.85Å; I1763-P1776 CarbonylContact O-C 3.58Å; I1763-P1776 WeakPolarHBondContact O-CA 3.25Å; D1764-P1776 HydrophobicContact CB-CB 4.06Å |
| 1777 | M | 83.2 | Confident | 81.4 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 154.9 | -179.6 | 70.2 | -168.9 | -68.5 | 0 | 0 | 112.6 | N1704 L1714 T1762 I1763 D1774 F1775 | N1704-M1777 HydrophobicContact CB-CE 4.32Å; N1704-M1777 WeakPolarHBondContact ND2-CE 3.49Å; N1704-M1777 WeakPolarHBondContact OD1-CE 3.09Å; L1714-M1777 HydrophobicContact CD1-CE 4.22Å; L1714-M1777 HydrophobicContact CD1-SD 4.35Å; L1714-M1777 HydrophobicContact CD2-CE 4.38Å; L1714-M1777 HydrophobicContact CD2-SD 3.49Å; L1714-M1777 WeakPolarHBondContact CD2-SD 3.42Å; T1762-M1777 CarbonylContact C-O 3.58Å; T1762-M1777 WeakPolarHBondContact CA-O 3.33Å; I1763-M1777 HydrophobicContact CB-CG 4.01Å; I1763-M1777 PolarHBondContact N-O 3.27Å; I1763-M1777 PolarHBondContact O-N 2.81Å; D1774-M1777 WeakPolarHBondContact O-CB 3.13Å; F1775-M1777 HydrophobicContact CD1-CG 4.07Å; F1775-M1777 HydrophobicContact CD1-SD 4.02Å; F1775-M1777 HydrophobicContact CE1-CG 3.98Å; F1775-M1777 HydrophobicContact CE1-SD 3.39Å; F1775-M1777 WeakPolarHBondContact CE1-SD 3.1Å; F1775-M1777 HydrophobicContact CZ-SD 3.8Å |
| 1778 | R | 81.2 | Confident | 81.1 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 56% | 0.562 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 141 | 167.2 | -81.4 | -179.6 | 162.9 | -161.3 | -11.3 | 111.3 | Y1761 | Y1761-R1778 CarbonylContact O-C 3.59Å; Y1761-R1778 WeakPolarHBondContact O-CA 2.85Å |
| 1779 | F | 83.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.2 | 176.7 | -165.1 | -77.7 | 0 | 0 | 0 | 109.2 | Q1703 N1704 C1706 A1712 F1753 Y1761 I1763 V1781 | Q1703-F1779 WeakPolarHBondContact O-CE2 3.46Å; N1704-F1779 WeakPolarHBondContact O-CA 3.37Å; C1706-F1779 HydrophobicContact CB-CE1 3.95Å; C1706-F1779 HydrophobicContact CB-CZ 4.24Å; A1712-F1779 HydrophobicContact CB-CE1 3.9Å; A1712-F1779 HydrophobicContact CB-CZ 3.92Å; F1753-F1779 HydrophobicContact CZ-CD1 4.04Å; F1753-F1779 HydrophobicContact CZ-CE1 4.32Å; F1753-F1779 HydrophobicContact CZ-CG 4.44Å; Y1761-F1779 PolarHBondContact N-O 3.26Å; Y1761-F1779 PolarHBondContact O-N 3.48Å; I1763-F1779 HydrophobicContact CD1-CB 3.76Å; I1763-F1779 HydrophobicContact CD1-CD2 3.56Å; I1763-F1779 HydrophobicContact CD1-CE2 4.36Å; I1763-F1779 HydrophobicContact CD1-CG 3.82Å; I1763-F1779 HydrophobicContact CG1-CB 4.16Å; F1779-V1781 HydrophobicContact CD1-CG2 4.33Å |
| 1780 | T | 85.3 | Confident | 80.5 | Confident | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128 | -169.4 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | N1704 Q1705 C1706 Y1760 V1782 P1815 | N1704-T1780 PolarHBondContact O-N 2.61Å; Q1705-T1780 CarbonylContact C-O 3.55Å; Q1705-T1780 WeakPolarHBondContact CA-O 3.49Å; Q1705-T1780 WeakPolarHBondContact CB-O 3.46Å; C1706-T1780 PolarHBondContact N-O 2.96Å; Y1760-T1780 HydrophobicContact CD1-CG2 4.33Å; Y1760-T1780 HydrophobicContact CE1-CG2 4.09Å; T1780-V1782 HydrophobicContact CG2-CG1 4.23Å; T1780-P1815 HydrophobicContact CG2-CG 3.97Å |
| 1781 | V | 85.2 | Confident | 80 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 110 | C1706 L1708 P1755 V1758 G1759 Y1761 F1779 | C1706-V1781 WeakPolarHBondContact O-CA 3.41Å; L1708-V1781 HydrophobicContact CB-CG1 4.13Å; L1708-V1781 HydrophobicContact CD1-CG1 4.36Å; P1755-V1781 HydrophobicContact CB-CB 4.43Å; P1755-V1781 HydrophobicContact CB-CG1 3.95Å; P1755-V1781 HydrophobicContact CB-CG2 3.8Å; P1755-V1781 HydrophobicContact CG-CG1 3.91Å; P1755-V1781 HydrophobicContact CG-CG2 4.05Å; V1758-V1781 WeakPolarHBondContact CA-O 3.39Å; G1759-V1781 PolarHBondContact N-O 3.22Å; G1759-V1781 PolarHBondContact O-N 3.27Å; Y1761-V1781 HydrophobicContact CD2-CB 4.17Å; Y1761-V1781 HydrophobicContact CD2-CG2 3.47Å; Y1761-V1781 VanDerWaalsContact CD2-CG2 3.47Å; Y1761-V1781 HydrophobicContact CE2-CB 3.84Å; Y1761-V1781 HydrophobicContact CE2-CG2 3.46Å; Y1761-V1781 VanDerWaalsContact CE2-CG2 3.46Å; F1779-V1781 HydrophobicContact CD1-CG2 4.33Å |
| 1782 | V | 87.9 | Confident | 79 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161.9 | -178.1 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | C1706 I1707 L1708 T1780 A1813 P1815 N1860 V1862 | C1706-V1782 PolarHBondContact O-N 2.83Å; C1706-V1782 VanDerWaalsContact O-N 3.15Å; I1707-V1782 CarbonylContact C-O 3.54Å; I1707-V1782 WeakPolarHBondContact CA-O 3.37Å; L1708-V1782 PolarHBondContact N-O 2.83Å; T1780-V1782 HydrophobicContact CG2-CG1 4.23Å; V1782-A1813 CarbonylContact C-O 3.57Å; V1782-A1813 WeakPolarHBondContact CA-O 3.3Å; V1782-P1815 WeakPolarHBondContact CG1-O 3.27Å; V1782-N1860 HydrophobicContact CG1-CB 4.12Å; V1782-V1862 HydrophobicContact CG2-CG2 4.29Å |
| 1783 | D | 84.5 | Confident | 78 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | trans | -135.6 | 78.9 | 177 | -171.1 | 16.5 | 0 | 0 | 0 | 110.6 | L1708 V1758 R1785 K1786 A1813 | L1708-D1783 HydrophobicContact CB-CB 4.03Å; L1708-D1783 HydrophobicContact CD2-CB 4.33Å; V1758-D1783 HydrophobicContact CG1-CB 3.58Å; D1783-R1785 PolarHBondContact O-N 2.79Å; D1783-R1785 IonicContact OD1-CZ 3.42Å; D1783-R1785 IonicContact OD1-NE 3.24Å; D1783-R1785 PolarHBondContact OD1-NE 2.96Å; D1783-R1785 IonicContact OD1-NH2 2.72Å; D1783-R1785 PolarHBondContact OD1-NH2 2.78Å; D1783-R1785 IonicContact OD2-NH2 2.69Å; D1783-K1786 HydrophobicContact CB-CD 4.14Å; D1783-K1786 PolarHBondContact O-N 2.92Å; D1783-K1786 VanDerWaalsContact OD2-CD 3.29Å; D1783-K1786 WeakPolarHBondContact OD2-CD 3.44Å; D1783-K1786 WeakPolarHBondContact OD2-CE 3.45Å; D1783-K1786 IonicContact OD2-NZ 2.78Å; D1783-K1786 PolarHBondContact OD2-NZ 2.93Å; D1783-A1813 PolarHBondContact N-O 2.92Å; D1783-A1813 WeakPolarHBondContact O-CA 3.44Å; D1783-A1813 WeakPolarHBondContact O-CB 3.16Å | ||
| 1784 | P | 80.4 | Confident | 77 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.8 | -16.9 | -176 | 27.3 | -36.7 | 0 | 0 | 0 | 113 | K1786 V1787 W1859 V1862 P1865 | P1784-K1786 PolarHBondContact O-N 2.98Å; P1784-V1787 PolarHBondContact O-N 2.72Å; P1784-V1787 VanDerWaalsContact O-N 3.11Å; P1784-W1859 HydrophobicContact CB-CB 4.3Å; P1784-V1862 HydrophobicContact CG-CB 4.3Å; P1784-V1862 HydrophobicContact CG-CG1 3.85Å; P1784-P1865 WeakPolarHBondContact O-CD 3.41Å |
| 1785 | R | 77 | Confident | 76 | Confident | 129 Ų | 129 | 49.9 Ų | 49.9 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -63.8 | -14.3 | 172.9 | -60.5 | 168.5 | -65.2 | -142 | -6.5 | 113.5 | L1708 D1783 P1865 | L1708-R1785 PolarHBondContact O-NH2 2.99Å; D1783-R1785 PolarHBondContact O-N 2.79Å; D1783-R1785 IonicContact OD1-CZ 3.42Å; D1783-R1785 IonicContact OD1-NE 3.24Å; D1783-R1785 PolarHBondContact OD1-NE 2.96Å; D1783-R1785 IonicContact OD1-NH2 2.72Å; D1783-R1785 PolarHBondContact OD1-NH2 2.78Å; D1783-R1785 IonicContact OD2-NH2 2.69Å; R1785-P1865 HydrophobicContact CB-CG 4.48Å; R1785-P1865 HydrophobicContact CG-CG 3.97Å |
| 1786 | K | 82 | Confident | 74.6 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -93 | -13.1 | 174.8 | -70.1 | 169.8 | 179.6 | 158.9 | 0 | 113.5 | D1783 P1784 G1812 A1813 | D1783-K1786 HydrophobicContact CB-CD 4.14Å; D1783-K1786 PolarHBondContact O-N 2.92Å; D1783-K1786 VanDerWaalsContact OD2-CD 3.29Å; D1783-K1786 WeakPolarHBondContact OD2-CD 3.44Å; D1783-K1786 WeakPolarHBondContact OD2-CE 3.45Å; D1783-K1786 IonicContact OD2-NZ 2.78Å; D1783-K1786 PolarHBondContact OD2-NZ 2.93Å; P1784-K1786 PolarHBondContact O-N 2.98Å; K1786-G1812 VanDerWaalsContact CD-C 3.43Å; K1786-G1812 WeakPolarHBondContact CD-O 3.37Å; K1786-G1812 PolarHBondContact NZ-O 2.64Å; K1786-A1813 HydrophobicContact CB-CB 4.1Å |
| 1787 | V | 81.4 | Confident | 73.5 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -73.5 | 133.7 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | P1784 V1808 D1809 A1810 A1813 L1818 W1859 V1864 | P1784-V1787 PolarHBondContact O-N 2.72Å; P1784-V1787 VanDerWaalsContact O-N 3.11Å; V1787-V1808 HydrophobicContact CG1-CG1 3.37Å; V1787-D1809 CarbonylContact C-O 3.6Å; V1787-D1809 VanDerWaalsContact CA-O 3.3Å; V1787-D1809 WeakPolarHBondContact CA-O 3.38Å; V1787-A1810 HydrophobicContact CG2-CB 4.06Å; V1787-A1813 HydrophobicContact CG2-CB 3.51Å; V1787-L1818 HydrophobicContact CG1-CD1 4.5Å; V1787-W1859 HydrophobicContact CG2-CB 3.94Å; V1787-W1859 HydrophobicContact CG2-CD2 3.87Å; V1787-W1859 HydrophobicContact CG2-CE3 4.26Å; V1787-W1859 HydrophobicContact CG2-CG 3.72Å; V1787-V1864 HydrophobicContact CB-CG1 3.88Å; V1787-V1864 HydrophobicContact CB-CG2 4.04Å; V1787-V1864 HydrophobicContact CG1-CG1 4.03Å; V1787-V1864 HydrophobicContact CG1-CG2 3.94Å; V1787-V1864 HydrophobicContact CG2-CG2 4.48Å | ||
| 1788 | R | 77.2 | Confident | 72.9 | Confident | 166 Ų | 166 | 53.4 Ų | 53.4 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.8 | -169.2 | -66.9 | 173.2 | -174.4 | -163.2 | 0.7 | 111.8 | V1808 D1809 | R1788-V1808 CarbonylContact O-C 3.53Å; R1788-V1808 VanDerWaalsContact O-CA 3.31Å; R1788-V1808 WeakPolarHBondContact O-CA 3.33Å; R1788-D1809 PolarHBondContact N-O 3.27Å; R1788-D1809 PolarHBondContact O-N 3.05Å |
| 1789 | V | 75.5 | Confident | 72.5 | Confident | 46 Ų | 46 | 47 Ų | 47 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.9 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | I1806 V1808 L1857 L1869 | V1789-I1806 HydrophobicContact CG1-CG2 3.71Å; V1789-V1808 HydrophobicContact CG2-CG2 4.43Å; V1789-L1857 HydrophobicContact CG2-CD1 3.93Å; V1789-L1869 HydrophobicContact CG2-CD1 3.73Å; V1789-L1869 HydrophobicContact CG2-CD2 4.24Å |
| 1790 | V | 71.3 | Confident | 71.9 | Confident | 57 Ų | 57 | 49 Ų | 49 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -43.9 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | R1795 I1807 D1809 | V1790-R1795 PolarHBondContact O-NH2 3.47Å; V1790-I1807 HydrophobicContact CB-CB 4.44Å; V1790-I1807 HydrophobicContact CB-CG2 4.36Å; V1790-I1807 PolarHBondContact N-O 3Å; V1790-D1809 HydrophobicContact CG2-CB 3.46Å; V1790-D1809 VanDerWaalsContact CG2-CB 3.46Å |
| 1791 | E | 67.6 | Low | 71 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 166 | -172.6 | -178.2 | 142.9 | -124 | 0 | 0 | 111.8 | R1795 I1806 I1807 | E1791-R1795 WeakPolarHBondContact OE1-CD 3.2Å; E1791-R1795 IonicContact OE1-CZ 3.99Å; E1791-R1795 IonicContact OE1-NE 2.66Å; E1791-R1795 IonicContact OE1-NH1 3.84Å; E1791-R1795 PolarHBondContact OE1-NH1 3.07Å; E1791-R1795 IonicContact OE2-NH1 3.51Å; E1791-I1806 WeakPolarHBondContact O-CA 3.44Å; E1791-I1806 WeakPolarHBondContact O-CG2 3.44Å; E1791-I1807 HydrophobicContact CB-CB 4.12Å; E1791-I1807 HydrophobicContact CB-CG1 4.07Å; E1791-I1807 PolarHBondContact N-O 3.38Å; E1791-I1807 PolarHBondContact O-N 2.87Å |
| 1792 | G | 61.9 | Low | 70.3 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 106.2 | -69.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y1805 | G1792-Y1805 WeakPolarHBondContact CA-O 3.45Š|
| 1793 | I | 59.9 | Low | 69.6 | Low | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 132.2 | -176.8 | -60.8 | -173.6 | 0 | 0 | 0 | 111 | R1795 I1806 I1855 L1869 V1871 L1915 | I1793-R1795 PolarHBondContact O-N 3.21Å; I1793-R1795 VanDerWaalsContact O-N 3.15Å; I1793-I1806 HydrophobicContact CD1-CD1 4.01Å; I1793-I1806 HydrophobicContact CD1-CG1 4.3Å; I1793-I1806 HydrophobicContact CD1-CG2 4.24Å; I1793-I1806 HydrophobicContact CG1-CD1 4.22Å; I1793-I1806 HydrophobicContact CG1-CG1 3.96Å; I1793-I1806 HydrophobicContact CG1-CG2 4.05Å; I1793-I1855 HydrophobicContact CD1-CD1 3.73Å; I1793-I1855 HydrophobicContact CG1-CD1 4.42Å; I1793-L1869 HydrophobicContact CD1-CB 3.59Å; I1793-L1869 HydrophobicContact CD1-CD1 3.7Å; I1793-L1869 HydrophobicContact CD1-CG 4.11Å; I1793-V1871 HydrophobicContact CG2-CG1 3.59Å; I1793-L1915 HydrophobicContact CB-CD1 3.95Å; I1793-L1915 HydrophobicContact CB-CG 4.43Å; I1793-L1915 HydrophobicContact CG2-CD1 3.7Å; I1793-L1915 HydrophobicContact CG2-CD2 3.69Å; I1793-L1915 HydrophobicContact CG2-CG 3.69Å |
| 1794 | G | 50.4 | Low | 69.3 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | -0.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1958 | G1794-S1958 WeakPolarHBondContact O-CB 3.28Å; G1794-S1958 PolarHBondContact O-OG 2.85Å |
| 1795 | R | 52.1 | Low | 69.3 | Low | 108 Ų | 108 | 61.8 Ų | 61.8 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -24.6 | 170 | -63.5 | -169.2 | -171.6 | -168.2 | -0.7 | 112.9 | V1790 E1791 I1793 | V1790-R1795 PolarHBondContact O-NH2 3.47Å; E1791-R1795 WeakPolarHBondContact OE1-CD 3.2Å; E1791-R1795 IonicContact OE1-CZ 3.99Å; E1791-R1795 IonicContact OE1-NE 2.66Å; E1791-R1795 IonicContact OE1-NH1 3.84Å; E1791-R1795 PolarHBondContact OE1-NH1 3.07Å; E1791-R1795 IonicContact OE2-NH1 3.51Å; I1793-R1795 PolarHBondContact O-N 3.21Å; I1793-R1795 VanDerWaalsContact O-N 3.15Å |
| 1796 | K | 54.8 | Low | 69.5 | Low | 166 Ų | 166 | 55.8 Ų | 55.8 | 72% | 0.722 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -144.6 | 155.9 | 173.9 | -68.7 | -174 | 179.4 | -179.2 | 0 | 108.8 | ||
| 1797 | P | 61.2 | Low | 69.5 | Low | 26 Ų | 26 | 53.7 Ų | 53.7 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | trans | -63.2 | 157.3 | 166.4 | 29.3 | -36.1 | 0 | 0 | 0 | 110.9 | V1799 T1879 P1913 | P1797-V1799 HydrophobicContact CG-CG2 4.37Å; P1797-T1879 HydrophobicContact CB-CG2 4.07Å; P1797-T1879 WeakPolarHBondContact CB-OG1 3.35Å; P1797-T1879 HydrophobicContact CG-CG2 4.36Å; P1797-T1879 WeakPolarHBondContact CG-OG1 3.48Å; P1797-P1913 HydrophobicContact CB-CG 4.15Å | ||
| 1798 | L | 70.3 | Confident | 69.6 | Low | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.2 | 158.5 | -66.9 | -178.3 | 0 | 0 | 0 | 108.3 | S1804 F1845 P1847 Y1853 V1871 A1873 K1874 | L1798-S1804 WeakPolarHBondContact CD2-OG 3.2Å; L1798-F1845 HydrophobicContact CD1-CE2 3.95Å; L1798-F1845 HydrophobicContact CD1-CZ 3.88Å; L1798-F1845 HydrophobicContact CD2-CE2 4.13Å; L1798-F1845 HydrophobicContact CD2-CZ 3.65Å; L1798-F1845 HydrophobicContact CG-CZ 4.45Å; L1798-P1847 HydrophobicContact CB-CG 4.29Å; L1798-Y1853 HydrophobicContact CD1-CD2 4.47Å; L1798-Y1853 HydrophobicContact CD1-CG 4.4Å; L1798-V1871 HydrophobicContact CD1-CB 4.19Å; L1798-V1871 HydrophobicContact CD1-CG2 3.51Å; L1798-V1871 HydrophobicContact CG-CG2 4.31Å; L1798-A1873 HydrophobicContact CB-CB 3.63Å; L1798-A1873 HydrophobicContact CD1-CB 4.33Å; L1798-A1873 WeakPolarHBondContact O-CA 3.15Å; L1798-K1874 PolarHBondContact O-N 3.4Å |
| 1799 | V | 72.3 | Confident | 70 | Confident | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.8 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | P1797 G1801 Q1802 P1847 K1874 | P1797-V1799 HydrophobicContact CG-CG2 4.37Å; V1799-G1801 PolarHBondContact O-N 2.89Å; V1799-Q1802 HydrophobicContact CB-CB 3.9Å; V1799-Q1802 HydrophobicContact CG1-CB 4.21Å; V1799-Q1802 WeakPolarHBondContact O-CB 3.36Å; V1799-Q1802 PolarHBondContact O-N 2.97Å; V1799-P1847 WeakPolarHBondContact O-CG 3.41Å; V1799-K1874 CarbonylContact C-O 3.58Å; V1799-K1874 VanDerWaalsContact CA-O 3.3Å; V1799-K1874 WeakPolarHBondContact CA-O 3.35Å |
| 1800 | V | 72.1 | Confident | 70.5 | Confident | 45 Ų | 45 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 132.8 | -177 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | Q1802 P1847 L1848 E1849 E1850 A1873 K1874 | V1800-Q1802 PolarHBondContact O-N 3.29Å; V1800-P1847 WeakPolarHBondContact CA-O 3.23Å; V1800-L1848 VanDerWaalsContact CG1-O 3.29Å; V1800-L1848 WeakPolarHBondContact CG1-O 3.3Å; V1800-E1849 VanDerWaalsContact CG2-C 3.49Å; V1800-E1849 WeakPolarHBondContact CG2-O 3.5Å; V1800-E1850 HydrophobicContact CG2-CB 4.46Å; V1800-E1850 HydrophobicContact CG2-CG 3.83Å; V1800-A1873 HydrophobicContact CG2-CB 4.18Å; V1800-K1874 PolarHBondContact N-O 2.94Å |
| 1801 | G | 65.7 | Low | 71 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -13.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1799 P1847 | V1799-G1801 PolarHBondContact O-N 2.89Å; G1801-P1847 PolarHBondContact N-O 2.68Å |
| 1802 | Q | 71.6 | Confident | 71.6 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.8 | 121.5 | -178 | -164.5 | 172.4 | 18.9 | 0 | 0 | 112.3 | V1799 V1800 S1804 P1847 | V1799-Q1802 HydrophobicContact CB-CB 3.9Å; V1799-Q1802 HydrophobicContact CG1-CB 4.21Å; V1799-Q1802 WeakPolarHBondContact O-CB 3.36Å; V1799-Q1802 PolarHBondContact O-N 2.97Å; V1800-Q1802 PolarHBondContact O-N 3.29Å; Q1802-S1804 PolarHBondContact O-N 2.86Å; Q1802-S1804 VanDerWaalsContact O-N 3.15Å; Q1802-S1804 PolarHBondContact O-OG 3.21Å; Q1802-S1804 VanDerWaalsContact O-OG 3.06Å; Q1802-P1847 WeakPolarHBondContact O-CD 3.14Å |
| 1803 | R | 73.3 | Confident | 72.6 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | trans | -54.8 | 118.9 | 174 | 177.2 | 166.5 | -92.3 | -95.7 | -14.5 | 111.3 | I1688 Y1805 S1844 V1846 | I1688-R1803 PolarHBondContact O-NH2 3.5Å; R1803-Y1805 VanDerWaalsContact CD-OH 3.29Å; R1803-Y1805 WeakPolarHBondContact CD-OH 3.21Å; R1803-Y1805 HydrophobicContact CG-CE1 3.95Å; R1803-Y1805 HydrophobicContact CG-CE2 4.2Å; R1803-S1844 VanDerWaalsContact NH1-CB 3.3Å; R1803-S1844 PolarHBondContact NH1-OG 2.8Å; R1803-V1846 HydrophobicContact CB-CG2 4.12Å | ||
| 1804 | S | 76.4 | Confident | 73.5 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 12% | 0.119 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 150.4 | -174.2 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | L1798 Q1802 S1844 F1845 | L1798-S1804 WeakPolarHBondContact CD2-OG 3.2Å; Q1802-S1804 PolarHBondContact O-N 2.86Å; Q1802-S1804 VanDerWaalsContact O-N 3.15Å; Q1802-S1804 PolarHBondContact O-OG 3.21Å; Q1802-S1804 VanDerWaalsContact O-OG 3.06Å; S1804-S1844 WeakPolarHBondContact O-CA 3.38Å; S1804-F1845 PolarHBondContact N-O 2.8Å; S1804-F1845 PolarHBondContact O-N 3Å |
| 1805 | Y | 80.2 | Confident | 74.8 | Confident | 91 Ų | 91 | 46 Ų | 46 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.1 | -172.9 | -56.6 | -76.8 | 0 | 0 | 0 | 111.8 | G1792 R1803 R1842 I1843 | G1792-Y1805 WeakPolarHBondContact CA-O 3.45Å; R1803-Y1805 VanDerWaalsContact CD-OH 3.29Å; R1803-Y1805 WeakPolarHBondContact CD-OH 3.21Å; R1803-Y1805 HydrophobicContact CG-CE1 3.95Å; R1803-Y1805 HydrophobicContact CG-CE2 4.2Å; Y1805-R1842 HydrophobicContact CD1-CG 4.35Å; Y1805-I1843 CarbonylContact C-O 3.52Å; Y1805-I1843 VanDerWaalsContact CA-O 3.26Å; Y1805-I1843 WeakPolarHBondContact CA-O 3.49Å |
| 1806 | I | 81.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.4 | 172.3 | -43.1 | 162 | 0 | 0 | 0 | 108.1 | V1789 E1791 I1793 V1808 R1842 I1843 F1845 I1855 | V1789-I1806 HydrophobicContact CG1-CG2 3.71Å; E1791-I1806 WeakPolarHBondContact O-CA 3.44Å; E1791-I1806 WeakPolarHBondContact O-CG2 3.44Å; I1793-I1806 HydrophobicContact CD1-CD1 4.01Å; I1793-I1806 HydrophobicContact CD1-CG1 4.3Å; I1793-I1806 HydrophobicContact CD1-CG2 4.24Å; I1793-I1806 HydrophobicContact CG1-CD1 4.22Å; I1793-I1806 HydrophobicContact CG1-CG1 3.96Å; I1793-I1806 HydrophobicContact CG1-CG2 4.05Å; I1806-V1808 HydrophobicContact CG2-CG2 4.27Å; I1806-R1842 CarbonylContact O-C 3.53Å; I1806-R1842 WeakPolarHBondContact O-CA 3.35Å; I1806-I1843 HydrophobicContact CB-CB 4.12Å; I1806-I1843 HydrophobicContact CB-CD1 4.25Å; I1806-I1843 HydrophobicContact CD1-CB 4.24Å; I1806-I1843 HydrophobicContact CD1-CD1 4.21Å; I1806-I1843 HydrophobicContact CD1-CG2 4.2Å; I1806-I1843 HydrophobicContact CG1-CB 4.47Å; I1806-I1843 PolarHBondContact N-O 2.64Å; I1806-I1843 PolarHBondContact O-N 2.66Å; I1806-F1845 HydrophobicContact CD1-CE1 4.03Å; I1806-F1845 HydrophobicContact CG1-CE1 4.28Å; I1806-I1855 HydrophobicContact CD1-CD1 4.02Å; I1806-I1855 HydrophobicContact CD1-CG2 3.79Å |
| 1807 | I | 81.3 | Confident | 76.9 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.4 | 173.5 | -50.1 | -53.3 | 0 | 0 | 0 | 109 | V1790 E1791 H1841 R1842 | V1790-I1807 HydrophobicContact CB-CB 4.44Å; V1790-I1807 HydrophobicContact CB-CG2 4.36Å; V1790-I1807 PolarHBondContact N-O 3Å; E1791-I1807 HydrophobicContact CB-CB 4.12Å; E1791-I1807 HydrophobicContact CB-CG1 4.07Å; E1791-I1807 PolarHBondContact N-O 3.38Å; E1791-I1807 PolarHBondContact O-N 2.87Å; I1807-H1841 CarbonylContact C-O 3.56Å; I1807-H1841 WeakPolarHBondContact CA-O 3.15Å; I1807-R1842 HydrophobicContact CD1-CB 3.72Å; I1807-R1842 HydrophobicContact CD1-CG 3.72Å |
| 1808 | V | 84.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.2 | -178.8 | 179.8 | 0 | 0 | 0 | 0 | 109 | V1787 R1788 V1789 I1806 L1818 Q1840 H1841 I1843 L1857 | V1787-V1808 HydrophobicContact CG1-CG1 3.37Å; R1788-V1808 CarbonylContact O-C 3.53Å; R1788-V1808 VanDerWaalsContact O-CA 3.31Å; R1788-V1808 WeakPolarHBondContact O-CA 3.33Å; V1789-V1808 HydrophobicContact CG2-CG2 4.43Å; I1806-V1808 HydrophobicContact CG2-CG2 4.27Å; V1808-L1818 HydrophobicContact CB-CD2 3.77Å; V1808-L1818 HydrophobicContact CG1-CD1 4.17Å; V1808-L1818 HydrophobicContact CG1-CD2 3.9Å; V1808-L1818 HydrophobicContact CG2-CD2 4.1Å; V1808-Q1840 CarbonylContact O-C 3.59Å; V1808-Q1840 WeakPolarHBondContact O-CA 3.5Å; V1808-H1841 PolarHBondContact N-O 3.5Å; V1808-H1841 PolarHBondContact O-N 3.31Å; V1808-I1843 HydrophobicContact CG2-CD1 3.8Å; V1808-L1857 HydrophobicContact CG2-CD1 4.01Å |
| 1809 | D | 84.8 | Confident | 78.3 | Confident | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.9 | 175.2 | 175.1 | 11.8 | 0 | 0 | 0 | 109.4 | V1787 R1788 V1790 Q1811 F1839 Q1840 | V1787-D1809 CarbonylContact C-O 3.6Å; V1787-D1809 VanDerWaalsContact CA-O 3.3Å; V1787-D1809 WeakPolarHBondContact CA-O 3.38Å; R1788-D1809 PolarHBondContact N-O 3.27Å; R1788-D1809 PolarHBondContact O-N 3.05Å; V1790-D1809 HydrophobicContact CG2-CB 3.46Å; V1790-D1809 VanDerWaalsContact CG2-CB 3.46Å; D1809-Q1811 VanDerWaalsContact OD1-CB 3.24Å; D1809-Q1811 WeakPolarHBondContact OD1-CB 3.33Å; D1809-Q1811 PolarHBondContact OD1-N 3.45Å; D1809-F1839 CarbonylContact C-O 3.59Å; D1809-F1839 WeakPolarHBondContact CA-O 3.38Å; D1809-Q1840 HydrophobicContact CB-CG 4.22Å |
| 1810 | A | 86 | Confident | 78.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | trans | -112.8 | 15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1787 G1812 A1813 F1839 W1859 | V1787-A1810 HydrophobicContact CG2-CB 4.06Å; A1810-G1812 PolarHBondContact O-N 2.64Å; A1810-G1812 VanDerWaalsContact O-N 3.11Å; A1810-A1813 HydrophobicContact CB-CB 4.4Å; A1810-A1813 WeakPolarHBondContact O-CB 3.49Å; A1810-A1813 PolarHBondContact O-N 3.29Å; A1810-F1839 PolarHBondContact N-O 2.85Å; A1810-W1859 HydrophobicContact CB-CD2 4.39Å; A1810-W1859 HydrophobicContact CB-CE3 4.03Å; A1810-W1859 HydrophobicContact CB-CH2 3.42Å; A1810-W1859 VanDerWaalsContact CB-CH2 3.42Å; A1810-W1859 HydrophobicContact CB-CZ2 3.8Å; A1810-W1859 HydrophobicContact CB-CZ3 3.55Å | ||
| 1811 | Q | 83 | Confident | 79.1 | Confident | 130 Ų | 130 | 40.1 Ų | 40.1 | 61% | 0.607 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 119.2 | -174.3 | -171.3 | 175.8 | 55.2 | 0 | 0 | 112.4 | D1809 A1813 F1839 | D1809-Q1811 VanDerWaalsContact OD1-CB 3.24Å; D1809-Q1811 WeakPolarHBondContact OD1-CB 3.33Å; D1809-Q1811 PolarHBondContact OD1-N 3.45Å; Q1811-A1813 VanDerWaalsContact C-N 3.33Å; Q1811-A1813 PolarHBondContact O-N 2.92Å; Q1811-F1839 HydrophobicContact CB-CB 3.98Å; Q1811-F1839 HydrophobicContact CB-CG 4.17Å; Q1811-F1839 HydrophobicContact CG-CD2 4.31Å; Q1811-F1839 HydrophobicContact CG-CG 4.28Å |
| 1812 | G | 80.2 | Confident | 79.9 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1786 A1810 G1814 | K1786-G1812 VanDerWaalsContact CD-C 3.43Å; K1786-G1812 WeakPolarHBondContact CD-O 3.37Å; K1786-G1812 PolarHBondContact NZ-O 2.64Å; A1810-G1812 PolarHBondContact O-N 2.64Å; A1810-G1812 VanDerWaalsContact O-N 3.11Å; G1812-G1814 PolarHBondContact O-N 3.23Å; G1812-G1814 VanDerWaalsContact O-N 3.15Å |
| 1813 | A | 82.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -72.1 | 5.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1782 D1783 K1786 V1787 A1810 Q1811 W1859 | V1782-A1813 CarbonylContact C-O 3.57Å; V1782-A1813 WeakPolarHBondContact CA-O 3.3Å; D1783-A1813 PolarHBondContact N-O 2.92Å; D1783-A1813 WeakPolarHBondContact O-CA 3.44Å; D1783-A1813 WeakPolarHBondContact O-CB 3.16Å; K1786-A1813 HydrophobicContact CB-CB 4.1Å; V1787-A1813 HydrophobicContact CG2-CB 3.51Å; A1810-A1813 HydrophobicContact CB-CB 4.4Å; A1810-A1813 WeakPolarHBondContact O-CB 3.49Å; A1810-A1813 PolarHBondContact O-N 3.29Å; Q1811-A1813 VanDerWaalsContact C-N 3.33Å; Q1811-A1813 PolarHBondContact O-N 2.92Å; A1813-W1859 HydrophobicContact CB-CZ2 4.46Å; A1813-W1859 PolarHBondContact O-NE1 2.89Å |
| 1814 | G | 78.9 | Confident | 80.4 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | trans | 76.8 | 170.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | G1812 G1816 W1859 | G1812-G1814 PolarHBondContact O-N 3.23Å; G1812-G1814 VanDerWaalsContact O-N 3.15Å; G1814-G1816 PolarHBondContact O-N 2.8Å; G1814-W1859 WeakPolarHBondContact O-CZ2 3.41Å; G1814-W1859 PolarHBondContact O-NE1 2.87Å | ||
| 1815 | P | 77.4 | Confident | 80.1 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -64.7 | 124.7 | -179.1 | 26.8 | -34.3 | 0 | 0 | 0 | 111.1 | Y1760 T1780 V1782 | Y1760-P1815 HydrophobicContact CD1-CG 4.44Å; Y1760-P1815 HydrophobicContact CD2-CG 4.4Å; Y1760-P1815 HydrophobicContact CE1-CB 4.3Å; Y1760-P1815 HydrophobicContact CE1-CG 3.97Å; Y1760-P1815 HydrophobicContact CE2-CB 4Å; Y1760-P1815 HydrophobicContact CE2-CG 3.93Å; Y1760-P1815 WeakPolarHBondContact OH-CB 3.21Å; T1780-P1815 HydrophobicContact CG2-CG 3.97Å; V1782-P1815 WeakPolarHBondContact CG1-O 3.27Å |
| 1816 | G | 72.2 | Confident | 79.1 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | trans | -171.5 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1814 W1859 N1860 | G1814-G1816 PolarHBondContact O-N 2.8Å; G1816-W1859 WeakPolarHBondContact O-CH2 3.5Å; G1816-N1860 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 1817 | E | 78.6 | Confident | 78.4 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | trans | -118.7 | 136.4 | 177.7 | -175.1 | -166.7 | -179.6 | 0 | 0 | 109.4 | K1819 W1859 N1860 | E1817-K1819 WeakPolarHBondContact OE1-CE 3.34Å; E1817-K1819 IonicContact OE1-NZ 2.7Å; E1817-K1819 PolarHBondContact OE1-NZ 2.86Å; E1817-K1819 WeakPolarHBondContact OE2-CE 3.38Å; E1817-K1819 IonicContact OE2-NZ 3.06Å; E1817-K1819 PolarHBondContact OE2-NZ 3.33Å; E1817-W1859 CarbonylContact O-C 3.6Å; E1817-W1859 WeakPolarHBondContact O-CA 3.43Å; E1817-N1860 PolarHBondContact O-N 3.1Å | ||
| 1818 | L | 82 | Confident | 77.6 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.6 | 171.9 | -178.2 | 73.2 | 0 | 0 | 0 | 110.7 | V1787 V1808 V1833 H1841 I1843 Y1858 W1859 | V1787-L1818 HydrophobicContact CG1-CD1 4.5Å; V1808-L1818 HydrophobicContact CB-CD2 3.77Å; V1808-L1818 HydrophobicContact CG1-CD1 4.17Å; V1808-L1818 HydrophobicContact CG1-CD2 3.9Å; V1808-L1818 HydrophobicContact CG2-CD2 4.1Å; L1818-V1833 HydrophobicContact CD2-CG1 4.24Å; L1818-V1833 HydrophobicContact CG-CG1 4.5Å; L1818-H1841 HydrophobicContact CD2-CB 3.67Å; L1818-I1843 HydrophobicContact CD2-CD1 4.3Å; L1818-I1843 HydrophobicContact CD2-CG1 4.33Å; L1818-Y1858 CarbonylContact C-O 3.59Å; L1818-Y1858 WeakPolarHBondContact CA-O 3.34Å; L1818-W1859 HydrophobicContact CB-CE3 3.92Å; L1818-W1859 HydrophobicContact CB-CZ3 3.9Å; L1818-W1859 HydrophobicContact CD1-CE3 4.44Å |
| 1819 | K | 79.6 | Confident | 76.9 | Confident | 107 Ų | 107 | 46.3 Ų | 46.3 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.9 | 167.1 | -60.4 | -164.8 | 179.4 | -166.7 | 0 | 110.8 | E1817 Y1858 | E1817-K1819 WeakPolarHBondContact OE1-CE 3.34Å; E1817-K1819 IonicContact OE1-NZ 2.7Å; E1817-K1819 PolarHBondContact OE1-NZ 2.86Å; E1817-K1819 WeakPolarHBondContact OE2-CE 3.38Å; E1817-K1819 IonicContact OE2-NZ 3.06Å; E1817-K1819 PolarHBondContact OE2-NZ 3.33Å; K1819-Y1858 PolarHBondContact N-O 2.97Å; K1819-Y1858 PolarHBondContact O-N 3.31Å |
| 1820 | A | 81.6 | Confident | 76.2 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1831 V1833 I1843 Y1856 L1857 | A1820-V1831 HydrophobicContact CB-CG1 4.03Å; A1820-V1833 HydrophobicContact CB-CG2 3.89Å; A1820-I1843 HydrophobicContact CB-CD1 3.83Å; A1820-I1843 HydrophobicContact CB-CG1 4.01Å; A1820-I1843 HydrophobicContact CB-CG2 3.76Å; A1820-Y1856 CarbonylContact C-O 3.54Å; A1820-Y1856 VanDerWaalsContact CA-O 3.31Å; A1820-Y1856 WeakPolarHBondContact CA-O 3.49Å; A1820-L1857 HydrophobicContact CB-CD2 4.03Å |
| 1821 | D | 79.3 | Confident | 75.7 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115.1 | 174.3 | 174.9 | 33.8 | 0 | 0 | 0 | 109.1 | R1823 R1828 I1855 Y1856 Y1858 | D1821-R1823 IonicContact OD1-NE 2.71Å; D1821-R1823 IonicContact OD2-CZ 3.81Å; D1821-R1823 IonicContact OD2-NE 3.81Å; D1821-R1823 PolarHBondContact OD2-NE 2.94Å; D1821-R1823 IonicContact OD2-NH2 3.89Å; D1821-R1823 PolarHBondContact OD2-NH2 2.58Å; D1821-R1828 WeakPolarHBondContact OD1-CG 3.31Å; D1821-R1828 IonicContact OD1-CZ 3.76Å; D1821-R1828 IonicContact OD1-NE 2.92Å; D1821-R1828 PolarHBondContact OD1-NE 3.19Å; D1821-R1828 IonicContact OD1-NH2 3.7Å; D1821-R1828 PolarHBondContact OD1-NH2 2.78Å; D1821-I1855 CarbonylContact O-C 3.59Å; D1821-I1855 WeakPolarHBondContact O-CA 3.39Å; D1821-Y1856 PolarHBondContact N-O 2.91Å; D1821-Y1856 PolarHBondContact O-N 2.71Å; D1821-Y1858 HydrophobicContact CB-CE2 4.41Å |
| 1822 | V | 83 | Confident | 75.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.6 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 109 | S1829 V1831 F1845 Y1853 I1855 | V1822-S1829 PolarHBondContact O-N 2.83Å; V1822-V1831 HydrophobicContact CB-CG2 3.6Å; V1822-V1831 HydrophobicContact CG2-CB 4.45Å; V1822-V1831 HydrophobicContact CG2-CG1 4.04Å; V1822-V1831 HydrophobicContact CG2-CG2 3.48Å; V1822-V1831 VanDerWaalsContact CG2-CG2 3.48Å; V1822-F1845 HydrophobicContact CG1-CD2 3.91Å; V1822-F1845 HydrophobicContact CG1-CE2 4.01Å; V1822-F1845 HydrophobicContact CG1-CG 4.29Å; V1822-F1845 HydrophobicContact CG1-CZ 4.47Å; V1822-F1845 HydrophobicContact CG2-CB 4.49Å; V1822-F1845 HydrophobicContact CG2-CD1 4.11Å; V1822-F1845 HydrophobicContact CG2-CE1 4.49Å; V1822-F1845 HydrophobicContact CG2-CG 4.17Å; V1822-Y1853 HydrophobicContact CG1-CD1 4.08Å; V1822-I1855 HydrophobicContact CG1-CG1 4.19Å; V1822-I1855 HydrophobicContact CG2-CG1 4.13Å; V1822-I1855 HydrophobicContact CG2-CG2 4.06Å |
| 1823 | R | 79.2 | Confident | 75 | Confident | 109 Ų | 109 | 41.4 Ų | 41.4 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116.8 | 178.2 | -52.3 | -175.1 | -168.9 | -177.2 | 1.4 | 110 | D1821 G1827 Y1853 S1854 Y1856 | D1821-R1823 IonicContact OD1-NE 2.71Å; D1821-R1823 IonicContact OD2-CZ 3.81Å; D1821-R1823 IonicContact OD2-NE 3.81Å; D1821-R1823 PolarHBondContact OD2-NE 2.94Å; D1821-R1823 IonicContact OD2-NH2 3.89Å; D1821-R1823 PolarHBondContact OD2-NH2 2.58Å; R1823-G1827 CarbonylContact C-O 3.48Å; R1823-G1827 VanDerWaalsContact CA-O 3.28Å; R1823-G1827 WeakPolarHBondContact CA-O 3.37Å; R1823-Y1853 CarbonylContact O-C 3.53Å; R1823-Y1853 WeakPolarHBondContact O-CA 3.44Å; R1823-S1854 PolarHBondContact N-O 2.71Å; R1823-S1854 PolarHBondContact O-N 2.92Å; R1823-Y1856 HydrophobicContact CG-CE2 4.37Å |
| 1824 | G | 75.6 | Confident | 74.7 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -166.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1826 G1827 | G1824-S1826 PolarHBondContact O-N 2.81Å; G1824-G1827 PolarHBondContact N-O 2.61Å; G1824-G1827 PolarHBondContact O-N 2.87Å |
| 1825 | P | 70.4 | Confident | 74.4 | Confident | 71 Ų | 71 | 46.9 Ų | 46.9 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -42.2 | -175.8 | -21.1 | 32.7 | 0 | 0 | 0 | 113.7 | G1827 E1849 | P1825-G1827 PolarHBondContact O-N 2.82Å; P1825-E1849 WeakPolarHBondContact CB-OE2 3.26Å; P1825-E1849 HydrophobicContact CG-CB 4.4Å |
| 1826 | S | 59.2 | Low | 74.1 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 58% | 0.58 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 6.5 | 171.4 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | G1824 E1849 | G1824-S1826 PolarHBondContact O-N 2.81Å; S1826-E1849 WeakPolarHBondContact CB-OE1 3.27Å; S1826-E1849 WeakPolarHBondContact CB-OE2 3.32Å; S1826-E1849 PolarHBondContact N-OE2 3.31Å; S1826-E1849 VanDerWaalsContact N-OE2 3.11Å; S1826-E1849 PolarHBondContact OG-OE1 3.21Å; S1826-E1849 PolarHBondContact OG-OE2 3.29Å |
| 1827 | G | 66.2 | Low | 74 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.9 | -142.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1823 G1824 P1825 S1829 | R1823-G1827 CarbonylContact C-O 3.48Å; R1823-G1827 VanDerWaalsContact CA-O 3.28Å; R1823-G1827 WeakPolarHBondContact CA-O 3.37Å; G1824-G1827 PolarHBondContact N-O 2.61Å; G1824-G1827 PolarHBondContact O-N 2.87Å; P1825-G1827 PolarHBondContact O-N 2.82Å; G1827-S1829 PolarHBondContact O-N 3.33Å |
| 1828 | R | 65.6 | Low | 73.5 | Confident | 132 Ų | 132 | 57.8 Ų | 57.8 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.8 | -166.2 | -160.2 | 176.5 | -163.8 | -162.2 | -5.8 | 111.8 | D1821 | D1821-R1828 WeakPolarHBondContact OD1-CG 3.31Å; D1821-R1828 IonicContact OD1-CZ 3.76Å; D1821-R1828 IonicContact OD1-NE 2.92Å; D1821-R1828 PolarHBondContact OD1-NE 3.19Å; D1821-R1828 IonicContact OD1-NH2 3.7Å; D1821-R1828 PolarHBondContact OD1-NH2 2.78Å |
| 1829 | S | 68.9 | Low | 73.3 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 158.1 | 174.9 | -47.6 | 0 | 0 | 0 | 0 | 111.1 | V1822 G1827 V1831 | V1822-S1829 PolarHBondContact O-N 2.83Å; G1827-S1829 PolarHBondContact O-N 3.33Å; S1829-V1831 WeakPolarHBondContact O-CG2 3.37Å |
| 1830 | N | 71.2 | Confident | 73.4 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 136.2 | 170.4 | -169.5 | -40.5 | 0 | 0 | 0 | 110.1 | L1612 F1690 | L1612-N1830 HydrophobicContact CD2-CB 3.98Å; F1690-N1830 PolarHBondContact N-OD1 2.91Å; F1690-N1830 PolarHBondContact O-ND2 3.01Å; F1690-N1830 PolarHBondContact O-OD1 3.15Å |
| 1831 | V | 74.5 | Confident | 73.4 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 119.3 | -168.8 | -167.9 | 0 | 0 | 0 | 0 | 110.8 | A1820 V1822 S1829 I1843 S1844 | A1820-V1831 HydrophobicContact CB-CG1 4.03Å; V1822-V1831 HydrophobicContact CB-CG2 3.6Å; V1822-V1831 HydrophobicContact CG2-CB 4.45Å; V1822-V1831 HydrophobicContact CG2-CG1 4.04Å; V1822-V1831 HydrophobicContact CG2-CG2 3.48Å; V1822-V1831 VanDerWaalsContact CG2-CG2 3.48Å; S1829-V1831 WeakPolarHBondContact O-CG2 3.37Å; V1831-I1843 HydrophobicContact CG1-CG2 3.45Å; V1831-I1843 VanDerWaalsContact CG1-CG2 3.45Å; V1831-S1844 WeakPolarHBondContact CA-O 3.31Å |
| 1832 | G | 71 | Confident | 73.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 144.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1843 S1844 | G1832-I1843 CarbonylContact O-C 3.54Å; G1832-I1843 VanDerWaalsContact O-CA 3.29Å; G1832-I1843 WeakPolarHBondContact O-CA 3.3Å; G1832-S1844 PolarHBondContact N-O 3.46Å; G1832-S1844 PolarHBondContact O-N 2.84Å |
| 1833 | V | 79.1 | Confident | 73.6 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 35% | 0.345 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120 | 166.7 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | L1818 A1820 I1843 | L1818-V1833 HydrophobicContact CD2-CG1 4.24Å; L1818-V1833 HydrophobicContact CG-CG1 4.5Å; A1820-V1833 HydrophobicContact CB-CG2 3.89Å; V1833-I1843 HydrophobicContact CG1-CG1 4.36Å; V1833-I1843 HydrophobicContact CG2-CG1 4.28Å |
| 1834 | E | 74.4 | Confident | 73.6 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.9 | -173.5 | -60.7 | 152.2 | -144.3 | 0 | 0 | 109.3 | F1690 H1841 R1842 S1844 | F1690-E1834 HydrophobicContact CZ-CG 4.47Å; E1834-H1841 CarbonylContact O-C 3.57Å; E1834-H1841 VanDerWaalsContact O-CA 3.24Å; E1834-H1841 WeakPolarHBondContact O-CA 3.25Å; E1834-R1842 HydrophobicContact CB-CB 4.28Å; E1834-R1842 PolarHBondContact N-O 3.11Å; E1834-R1842 PolarHBondContact O-N 2.92Å; E1834-R1842 IonicContact OE1-NH1 3.84Å; E1834-R1842 WeakPolarHBondContact OE2-CD 3.38Å; E1834-R1842 IonicContact OE2-CZ 2.73Å; E1834-R1842 IonicContact OE2-NE 3.32Å; E1834-R1842 IonicContact OE2-NH1 3.65Å; E1834-R1842 PolarHBondContact OE2-NH1 2.84Å; E1834-S1844 PolarHBondContact OE1-OG 2.73Å; E1834-S1844 VanDerWaalsContact OE1-OG 3.13Å |
| 1835 | A | 73 | Confident | 73.8 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1836 | Q | 71.7 | Confident | 74.1 | Confident | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -36.1 | -177.5 | -169.3 | 179.9 | 5.8 | 0 | 0 | 112.5 | Q1840 | Q1836-Q1840 PolarHBondContact N-O 3.11Å |
| 1837 | Q | 69.4 | Low | 74.9 | Confident | 127 Ų | 127 | 50 Ų | 50 | 59% | 0.593 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 171.6 | 172.7 | -58.8 | -173.9 | -7.1 | 0 | 0 | 108.7 | F1839 Q1840 | Q1837-F1839 PolarHBondContact O-N 2.77Å; Q1837-Q1840 HydrophobicContact CB-CB 4.17Å; Q1837-Q1840 PolarHBondContact N-O 2.76Å; Q1837-Q1840 VanDerWaalsContact N-O 3.08Å; Q1837-Q1840 PolarHBondContact O-N 3.13Å |
| 1838 | E | 69 | Low | 75.3 | Confident | 154 Ų | 154 | 50.8 Ų | 50.8 | 72% | 0.72 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -35.6 | -175.8 | -168.4 | -177.6 | -173.3 | 0 | 0 | 114.3 | ||
| 1839 | F | 77.1 | Confident | 75.6 | Confident | 81 Ų | 81 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 3.9 | 177.2 | -53.4 | -71.8 | 0 | 0 | 0 | 114.5 | D1809 A1810 Q1811 Q1837 | D1809-F1839 CarbonylContact C-O 3.59Å; D1809-F1839 WeakPolarHBondContact CA-O 3.38Å; A1810-F1839 PolarHBondContact N-O 2.85Å; Q1811-F1839 HydrophobicContact CB-CB 3.98Å; Q1811-F1839 HydrophobicContact CB-CG 4.17Å; Q1811-F1839 HydrophobicContact CG-CD2 4.31Å; Q1811-F1839 HydrophobicContact CG-CG 4.28Å; Q1837-F1839 PolarHBondContact O-N 2.77Å |
| 1840 | Q | 82.3 | Confident | 75.9 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137 | -179 | -66.7 | -168.4 | -4.2 | 0 | 0 | 112.3 | V1808 D1809 Q1836 Q1837 | V1808-Q1840 CarbonylContact O-C 3.59Å; V1808-Q1840 WeakPolarHBondContact O-CA 3.5Å; D1809-Q1840 HydrophobicContact CB-CG 4.22Å; Q1836-Q1840 PolarHBondContact N-O 3.11Å; Q1837-Q1840 HydrophobicContact CB-CB 4.17Å; Q1837-Q1840 PolarHBondContact N-O 2.76Å; Q1837-Q1840 VanDerWaalsContact N-O 3.08Å; Q1837-Q1840 PolarHBondContact O-N 3.13Å |
| 1841 | H | 82.2 | Confident | 75.7 | Confident | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.111 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.8 | -176.4 | -51.5 | -34.3 | 0 | 0 | 0 | 110.7 | I1807 V1808 L1818 E1834 W1859 | I1807-H1841 CarbonylContact C-O 3.56Å; I1807-H1841 WeakPolarHBondContact CA-O 3.15Å; V1808-H1841 PolarHBondContact N-O 3.5Å; V1808-H1841 PolarHBondContact O-N 3.31Å; L1818-H1841 HydrophobicContact CD2-CB 3.67Å; E1834-H1841 CarbonylContact O-C 3.57Å; E1834-H1841 VanDerWaalsContact O-CA 3.24Å; E1834-H1841 WeakPolarHBondContact O-CA 3.25Å; H1841-W1859 AromaticContact CD2-CZ3 3.81Å; H1841-W1859 AromaticContact NE2-CH2 3.7Å; H1841-W1859 AromaticContact NE2-CZ3 3.48Å; H1841-W1859 WeakPolarHBondContact NE2-CZ3 3.35Å |
| 1842 | R | 81.9 | Confident | 75.6 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.1 | -173.3 | 172.8 | 175.5 | -174.4 | -125.3 | 16 | 109.4 | Y1805 I1806 I1807 E1834 | Y1805-R1842 HydrophobicContact CD1-CG 4.35Å; I1806-R1842 CarbonylContact O-C 3.53Å; I1806-R1842 WeakPolarHBondContact O-CA 3.35Å; I1807-R1842 HydrophobicContact CD1-CB 3.72Å; I1807-R1842 HydrophobicContact CD1-CG 3.72Å; E1834-R1842 HydrophobicContact CB-CB 4.28Å; E1834-R1842 PolarHBondContact N-O 3.11Å; E1834-R1842 PolarHBondContact O-N 2.92Å; E1834-R1842 IonicContact OE1-NH1 3.84Å; E1834-R1842 WeakPolarHBondContact OE2-CD 3.38Å; E1834-R1842 IonicContact OE2-CZ 2.73Å; E1834-R1842 IonicContact OE2-NE 3.32Å; E1834-R1842 IonicContact OE2-NH1 3.65Å; E1834-R1842 PolarHBondContact OE2-NH1 2.84Å |
| 1843 | I | 84.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137.7 | 173.9 | -54.1 | 160.7 | 0 | 0 | 0 | 107.8 | Y1805 I1806 V1808 L1818 A1820 V1831 G1832 V1833 L1857 | Y1805-I1843 CarbonylContact C-O 3.52Å; Y1805-I1843 VanDerWaalsContact CA-O 3.26Å; Y1805-I1843 WeakPolarHBondContact CA-O 3.49Å; I1806-I1843 HydrophobicContact CB-CB 4.12Å; I1806-I1843 HydrophobicContact CB-CD1 4.25Å; I1806-I1843 HydrophobicContact CD1-CB 4.24Å; I1806-I1843 HydrophobicContact CD1-CD1 4.21Å; I1806-I1843 HydrophobicContact CD1-CG2 4.2Å; I1806-I1843 HydrophobicContact CG1-CB 4.47Å; I1806-I1843 PolarHBondContact N-O 2.64Å; I1806-I1843 PolarHBondContact O-N 2.66Å; V1808-I1843 HydrophobicContact CG2-CD1 3.8Å; L1818-I1843 HydrophobicContact CD2-CD1 4.3Å; L1818-I1843 HydrophobicContact CD2-CG1 4.33Å; A1820-I1843 HydrophobicContact CB-CD1 3.83Å; A1820-I1843 HydrophobicContact CB-CG1 4.01Å; A1820-I1843 HydrophobicContact CB-CG2 3.76Å; V1831-I1843 HydrophobicContact CG1-CG2 3.45Å; V1831-I1843 VanDerWaalsContact CG1-CG2 3.45Å; G1832-I1843 CarbonylContact O-C 3.54Å; G1832-I1843 VanDerWaalsContact O-CA 3.29Å; G1832-I1843 WeakPolarHBondContact O-CA 3.3Å; V1833-I1843 HydrophobicContact CG1-CG1 4.36Å; V1833-I1843 HydrophobicContact CG2-CG1 4.28Å; I1843-L1857 HydrophobicContact CD1-CD2 3.33Å |
| 1844 | S | 77.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.8 | 178.8 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | R1803 S1804 V1831 G1832 E1834 | R1803-S1844 VanDerWaalsContact NH1-CB 3.3Å; R1803-S1844 PolarHBondContact NH1-OG 2.8Å; S1804-S1844 WeakPolarHBondContact O-CA 3.38Å; V1831-S1844 WeakPolarHBondContact CA-O 3.31Å; G1832-S1844 PolarHBondContact N-O 3.46Å; G1832-S1844 PolarHBondContact O-N 2.84Å; E1834-S1844 PolarHBondContact OE1-OG 2.73Å; E1834-S1844 VanDerWaalsContact OE1-OG 3.13Å |
| 1845 | F | 81.2 | Confident | 76.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 167.4 | 178.4 | 68.4 | -81 | 0 | 0 | 0 | 111.5 | L1798 S1804 I1806 V1822 I1855 | L1798-F1845 HydrophobicContact CD1-CE2 3.95Å; L1798-F1845 HydrophobicContact CD1-CZ 3.88Å; L1798-F1845 HydrophobicContact CD2-CE2 4.13Å; L1798-F1845 HydrophobicContact CD2-CZ 3.65Å; L1798-F1845 HydrophobicContact CG-CZ 4.45Å; S1804-F1845 PolarHBondContact N-O 2.8Å; S1804-F1845 PolarHBondContact O-N 3Å; I1806-F1845 HydrophobicContact CD1-CE1 4.03Å; I1806-F1845 HydrophobicContact CG1-CE1 4.28Å; V1822-F1845 HydrophobicContact CG1-CD2 3.91Å; V1822-F1845 HydrophobicContact CG1-CE2 4.01Å; V1822-F1845 HydrophobicContact CG1-CG 4.29Å; V1822-F1845 HydrophobicContact CG1-CZ 4.47Å; V1822-F1845 HydrophobicContact CG2-CB 4.49Å; V1822-F1845 HydrophobicContact CG2-CD1 4.11Å; V1822-F1845 HydrophobicContact CG2-CE1 4.49Å; V1822-F1845 HydrophobicContact CG2-CG 4.17Å; F1845-I1855 HydrophobicContact CE1-CD1 4.39Å; F1845-I1855 HydrophobicContact CZ-CD1 4.18Å |
| 1846 | V | 75.5 | Confident | 76.7 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | trans | -121.9 | 118.1 | 174 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | R1803 L1848 | R1803-V1846 HydrophobicContact CB-CG2 4.12Å; V1846-L1848 HydrophobicContact CG1-CD2 4.19Å; V1846-L1848 PolarHBondContact O-N 3.17Å | ||
| 1847 | P | 76.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -76.1 | 118.6 | 171.7 | 30.8 | -30.8 | 0 | 0 | 0 | 109.5 | L1798 V1799 V1800 G1801 Q1802 Y1853 A1873 | L1798-P1847 HydrophobicContact CB-CG 4.29Å; V1799-P1847 WeakPolarHBondContact O-CG 3.41Å; V1800-P1847 WeakPolarHBondContact CA-O 3.23Å; G1801-P1847 PolarHBondContact N-O 2.68Å; Q1802-P1847 WeakPolarHBondContact O-CD 3.14Å; P1847-Y1853 WeakPolarHBondContact CA-OH 3.46Å; P1847-Y1853 HydrophobicContact CB-CE1 3.76Å; P1847-Y1853 HydrophobicContact CB-CE2 4.06Å; P1847-Y1853 VanDerWaalsContact CB-CZ 3.47Å; P1847-Y1853 WeakPolarHBondContact CB-OH 3.41Å; P1847-A1873 HydrophobicContact CB-CB 3.86Å; P1847-A1873 HydrophobicContact CG-CB 4.27Å | ||
| 1848 | L | 74.5 | Confident | 77.9 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | trans | -87.7 | -20.5 | -177.5 | -60.9 | 179.2 | 0 | 0 | 0 | 113.3 | I1609 M1687 V1800 V1846 Y1853 | I1609-L1848 HydrophobicContact CG2-CD1 4.36Å; I1609-L1848 HydrophobicContact CG2-CD2 4.47Å; M1687-L1848 HydrophobicContact CE-CD2 4.08Å; V1800-L1848 VanDerWaalsContact CG1-O 3.29Å; V1800-L1848 WeakPolarHBondContact CG1-O 3.3Å; V1846-L1848 HydrophobicContact CG1-CD2 4.19Å; V1846-L1848 PolarHBondContact O-N 3.17Å; L1848-Y1853 PolarHBondContact N-OH 2.93Å | ||
| 1849 | E | 72.5 | Confident | 78.6 | Confident | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -128.3 | 151.6 | -174.4 | -74.3 | 157.4 | -143.7 | 0 | 0 | 112.3 | V1800 P1825 S1826 Y1853 | V1800-E1849 VanDerWaalsContact CG2-C 3.49Å; V1800-E1849 WeakPolarHBondContact CG2-O 3.5Å; P1825-E1849 WeakPolarHBondContact CB-OE2 3.26Å; P1825-E1849 HydrophobicContact CG-CB 4.4Å; S1826-E1849 WeakPolarHBondContact CB-OE1 3.27Å; S1826-E1849 WeakPolarHBondContact CB-OE2 3.32Å; S1826-E1849 PolarHBondContact N-OE2 3.31Å; S1826-E1849 VanDerWaalsContact N-OE2 3.11Å; S1826-E1849 PolarHBondContact OG-OE1 3.21Å; S1826-E1849 PolarHBondContact OG-OE2 3.29Å; E1849-Y1853 PolarHBondContact N-OH 3.16Å; E1849-Y1853 WeakPolarHBondContact O-CE2 3.17Å; E1849-Y1853 PolarHBondContact O-OH 3.2Å |
| 1850 | E | 74.4 | Confident | 78.8 | Confident | 108 Ų | 108 | 35.2 Ų | 35.2 | 51% | 0.505 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -70.3 | 141.2 | 163.7 | -65.8 | -161.7 | 130.3 | 0 | 0 | 110.3 | V1800 A1873 S1875 | V1800-E1850 HydrophobicContact CG2-CB 4.46Å; V1800-E1850 HydrophobicContact CG2-CG 3.83Å; E1850-A1873 WeakPolarHBondContact CA-O 3.36Å; E1850-S1875 VanDerWaalsContact OE1-CB 3.24Å; E1850-S1875 WeakPolarHBondContact OE1-CB 3.34Å; E1850-S1875 PolarHBondContact OE1-N 3.48Å; E1850-S1875 PolarHBondContact OE1-OG 2.88Å |
| 1851 | G | 68.2 | Low | 78.2 | Confident | 24 Ų | 24 | 35.9 Ų | 35.9 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.8 | -162.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1872 A1873 | G1851-C1872 CarbonylContact O-C 3.58Å; G1851-C1872 WeakPolarHBondContact O-CA 3.3Å; G1851-C1872 PolarHBondContact O-SG 2.72Å; G1851-A1873 PolarHBondContact N-O 2.94Å; G1851-A1873 VanDerWaalsContact N-O 3.14Å; G1851-A1873 PolarHBondContact O-N 3.49Å |
| 1852 | E | 71 | Confident | 77.4 | Confident | 121 Ų | 121 | 36.3 Ų | 36.3 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141.1 | -178.2 | -64.8 | 179.8 | -162.8 | 0 | 0 | 111.6 | V1871 P1936 | E1852-V1871 WeakPolarHBondContact CA-O 3.36Å; E1852-P1936 HydrophobicContact CG-CG 4.04Å; E1852-P1936 VanDerWaalsContact OE2-CG 3.24Å; E1852-P1936 WeakPolarHBondContact OE2-CG 3.22Å |
| 1853 | Y | 78.6 | Confident | 77 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.7 | 177.1 | -70.8 | -112.2 | 0 | 0 | 0 | 110 | L1798 V1822 R1823 P1847 L1848 E1849 V1871 A1873 | L1798-Y1853 HydrophobicContact CD1-CD2 4.47Å; L1798-Y1853 HydrophobicContact CD1-CG 4.4Å; V1822-Y1853 HydrophobicContact CG1-CD1 4.08Å; R1823-Y1853 CarbonylContact O-C 3.53Å; R1823-Y1853 WeakPolarHBondContact O-CA 3.44Å; P1847-Y1853 WeakPolarHBondContact CA-OH 3.46Å; P1847-Y1853 HydrophobicContact CB-CE1 3.76Å; P1847-Y1853 HydrophobicContact CB-CE2 4.06Å; P1847-Y1853 VanDerWaalsContact CB-CZ 3.47Å; P1847-Y1853 WeakPolarHBondContact CB-OH 3.41Å; L1848-Y1853 PolarHBondContact N-OH 2.93Å; E1849-Y1853 PolarHBondContact N-OH 3.16Å; E1849-Y1853 WeakPolarHBondContact O-CE2 3.17Å; E1849-Y1853 PolarHBondContact O-OH 3.2Å; Y1853-V1871 PolarHBondContact N-O 3.29Å; Y1853-V1871 PolarHBondContact O-N 2.74Å; Y1853-A1873 HydrophobicContact CD2-CB 4.04Å; Y1853-A1873 HydrophobicContact CE2-CB 3.58Å |
| 1854 | S | 77.4 | Confident | 76.7 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.4 | 175.8 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | R1823 L1870 | R1823-S1854 PolarHBondContact N-O 2.71Å; R1823-S1854 PolarHBondContact O-N 2.92Å; S1854-L1870 VanDerWaalsContact OG-CD2 3.31Å; S1854-L1870 WeakPolarHBondContact OG-CD2 3.33Å |
| 1855 | I | 83 | Confident | 76.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 103.8 | -175.8 | -54.9 | 154.2 | 0 | 0 | 0 | 109.5 | I1793 I1806 D1821 V1822 F1845 L1857 P1868 L1869 V1871 | I1793-I1855 HydrophobicContact CD1-CD1 3.73Å; I1793-I1855 HydrophobicContact CG1-CD1 4.42Å; I1806-I1855 HydrophobicContact CD1-CD1 4.02Å; I1806-I1855 HydrophobicContact CD1-CG2 3.79Å; D1821-I1855 CarbonylContact O-C 3.59Å; D1821-I1855 WeakPolarHBondContact O-CA 3.39Å; V1822-I1855 HydrophobicContact CG1-CG1 4.19Å; V1822-I1855 HydrophobicContact CG2-CG1 4.13Å; V1822-I1855 HydrophobicContact CG2-CG2 4.06Å; F1845-I1855 HydrophobicContact CE1-CD1 4.39Å; F1845-I1855 HydrophobicContact CZ-CD1 4.18Å; I1855-L1857 HydrophobicContact CG2-CD2 4.31Å; I1855-P1868 CarbonylContact O-C 3.5Å; I1855-P1868 WeakPolarHBondContact O-CA 3.4Å; I1855-L1869 HydrophobicContact CB-CB 4.25Å; I1855-L1869 PolarHBondContact N-O 3.31Å; I1855-L1869 PolarHBondContact O-N 2.86Å; I1855-V1871 HydrophobicContact CD1-CG2 3.59Å; I1855-V1871 HydrophobicContact CG1-CG2 4.45Å |
| 1856 | Y | 81.9 | Confident | 75.2 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138.2 | 177.3 | -56.8 | -99.3 | 0 | 0 | 0 | 110.8 | A1820 D1821 R1823 S1867 P1868 | A1820-Y1856 CarbonylContact C-O 3.54Å; A1820-Y1856 VanDerWaalsContact CA-O 3.31Å; A1820-Y1856 WeakPolarHBondContact CA-O 3.49Å; D1821-Y1856 PolarHBondContact N-O 2.91Å; D1821-Y1856 PolarHBondContact O-N 2.71Å; R1823-Y1856 HydrophobicContact CG-CE2 4.37Å; Y1856-S1867 VanDerWaalsContact CA-OG 3.29Å; Y1856-S1867 WeakPolarHBondContact CA-OG 3.37Å; Y1856-P1868 HydrophobicContact CD1-CB 3.67Å; Y1856-P1868 HydrophobicContact CD1-CG 4.15Å; Y1856-P1868 HydrophobicContact CD2-CB 4.2Å; Y1856-P1868 HydrophobicContact CE1-CB 3.63Å; Y1856-P1868 HydrophobicContact CE1-CG 3.68Å; Y1856-P1868 HydrophobicContact CE2-CB 4.14Å; Y1856-P1868 HydrophobicContact CG-CB 3.96Å |
| 1857 | L | 83.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.2 | 175.4 | -60.2 | -172.1 | 0 | 0 | 0 | 111.4 | V1789 V1808 A1820 I1843 I1855 V1864 S1867 L1869 | V1789-L1857 HydrophobicContact CG2-CD1 3.93Å; V1808-L1857 HydrophobicContact CG2-CD1 4.01Å; A1820-L1857 HydrophobicContact CB-CD2 4.03Å; I1843-L1857 HydrophobicContact CD1-CD2 3.33Å; I1855-L1857 HydrophobicContact CG2-CD2 4.31Å; L1857-V1864 HydrophobicContact CB-CB 3.93Å; L1857-V1864 HydrophobicContact CB-CG2 4.01Å; L1857-V1864 PolarHBondContact O-N 2.83Å; L1857-S1867 PolarHBondContact N-OG 2.89Å; L1857-L1869 HydrophobicContact CD1-CD1 3.6Å; L1857-L1869 HydrophobicContact CG-CD1 3.85Å |
| 1858 | Y | 83 | Confident | 74.5 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.2 | 179.5 | -54 | -92.4 | 0 | 0 | 0 | 110.9 | L1818 K1819 D1821 V1862 C1863 | L1818-Y1858 CarbonylContact C-O 3.59Å; L1818-Y1858 WeakPolarHBondContact CA-O 3.34Å; K1819-Y1858 PolarHBondContact N-O 2.97Å; K1819-Y1858 PolarHBondContact O-N 3.31Å; D1821-Y1858 HydrophobicContact CB-CE2 4.41Å; Y1858-V1862 CarbonylContact C-O 3.53Å; Y1858-V1862 VanDerWaalsContact CA-O 3.32Å; Y1858-V1862 WeakPolarHBondContact CA-O 3.15Å; Y1858-C1863 HydrophobicContact CD1-CB 4.26Å; Y1858-C1863 HydrophobicContact CE1-CB 4.35Å |
| 1859 | W | 84.2 | Confident | 74.6 | Confident | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117 | 172.9 | -173.6 | -108.5 | 0 | 0 | 0 | 110.1 | P1784 V1787 A1810 A1813 G1814 G1816 E1817 L1818 H1841 G1861 V1862 V1864 | P1784-W1859 HydrophobicContact CB-CB 4.3Å; V1787-W1859 HydrophobicContact CG2-CB 3.94Å; V1787-W1859 HydrophobicContact CG2-CD2 3.87Å; V1787-W1859 HydrophobicContact CG2-CE3 4.26Å; V1787-W1859 HydrophobicContact CG2-CG 3.72Å; A1810-W1859 HydrophobicContact CB-CD2 4.39Å; A1810-W1859 HydrophobicContact CB-CE3 4.03Å; A1810-W1859 HydrophobicContact CB-CH2 3.42Å; A1810-W1859 VanDerWaalsContact CB-CH2 3.42Å; A1810-W1859 HydrophobicContact CB-CZ2 3.8Å; A1810-W1859 HydrophobicContact CB-CZ3 3.55Å; A1813-W1859 HydrophobicContact CB-CZ2 4.46Å; A1813-W1859 PolarHBondContact O-NE1 2.89Å; G1814-W1859 WeakPolarHBondContact O-CZ2 3.41Å; G1814-W1859 PolarHBondContact O-NE1 2.87Å; G1816-W1859 WeakPolarHBondContact O-CH2 3.5Å; E1817-W1859 CarbonylContact O-C 3.6Å; E1817-W1859 WeakPolarHBondContact O-CA 3.43Å; L1818-W1859 HydrophobicContact CB-CE3 3.92Å; L1818-W1859 HydrophobicContact CB-CZ3 3.9Å; L1818-W1859 HydrophobicContact CD1-CE3 4.44Å; H1841-W1859 AromaticContact CD2-CZ3 3.81Å; H1841-W1859 AromaticContact NE2-CH2 3.7Å; H1841-W1859 AromaticContact NE2-CZ3 3.48Å; H1841-W1859 WeakPolarHBondContact NE2-CZ3 3.35Å; W1859-G1861 PolarHBondContact O-N 2.87Å; W1859-V1862 PolarHBondContact N-O 3.31Å; W1859-V1862 WeakPolarHBondContact O-CB 3.45Å; W1859-V1862 PolarHBondContact O-N 2.92Å; W1859-V1864 HydrophobicContact CB-CG2 4.03Å |
| 1860 | N | 79.8 | Confident | 74.3 | Confident | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.6 | -173.9 | -143.9 | 55.4 | 0 | 0 | 0 | 113.6 | Q1705 V1782 G1816 E1817 V1862 | Q1705-N1860 PolarHBondContact NE2-O 3.33Å; Q1705-N1860 PolarHBondContact OE1-ND2 3.34Å; V1782-N1860 HydrophobicContact CG1-CB 4.12Å; G1816-N1860 WeakPolarHBondContact CA-OD1 3.13Å; E1817-N1860 PolarHBondContact O-N 3.1Å; N1860-V1862 VanDerWaalsContact C-N 3.27Å; N1860-V1862 PolarHBondContact O-N 2.6Å |
| 1861 | G | 69.7 | Low | 74.4 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 66% | 0.66 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -5.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W1859 | W1859-G1861 PolarHBondContact O-N 2.87Š|
| 1862 | V | 67 | Low | 74.5 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.4 | 177.3 | -168.6 | 0 | 0 | 0 | 0 | 109.9 | I1707 V1782 P1784 Y1858 W1859 N1860 V1864 | I1707-V1862 HydrophobicContact CD1-CG1 3.88Å; I1707-V1862 HydrophobicContact CG1-CG1 4.26Å; V1782-V1862 HydrophobicContact CG2-CG2 4.29Å; P1784-V1862 HydrophobicContact CG-CB 4.3Å; P1784-V1862 HydrophobicContact CG-CG1 3.85Å; Y1858-V1862 CarbonylContact C-O 3.53Å; Y1858-V1862 VanDerWaalsContact CA-O 3.32Å; Y1858-V1862 WeakPolarHBondContact CA-O 3.15Å; W1859-V1862 PolarHBondContact N-O 3.31Å; W1859-V1862 WeakPolarHBondContact O-CB 3.45Å; W1859-V1862 PolarHBondContact O-N 2.92Å; N1860-V1862 VanDerWaalsContact C-N 3.27Å; N1860-V1862 PolarHBondContact O-N 2.6Å; V1862-V1864 PolarHBondContact O-N 3.5Å |
| 1863 | C | 72.1 | Confident | 74.7 | Confident | 63 Ų | 63 | 30.6 Ų | 30.6 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 133.7 | -179.6 | -164 | 0 | 0 | 0 | 0 | 111.8 | Y1858 S1867 | Y1858-C1863 HydrophobicContact CD1-CB 4.26Å; Y1858-C1863 HydrophobicContact CE1-CB 4.35Å; C1863-S1867 VanDerWaalsContact SG-CB 3.58Å; C1863-S1867 PolarHBondContact SG-OG 3.09Å; C1863-S1867 VanDerWaalsContact SG-OG 3.42Å |
| 1864 | V | 79.4 | Confident | 74.2 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 129.5 | 177.3 | 176 | 0 | 0 | 0 | 0 | 109.7 | V1787 L1857 W1859 V1862 G1866 S1867 | V1787-V1864 HydrophobicContact CB-CG1 3.88Å; V1787-V1864 HydrophobicContact CB-CG2 4.04Å; V1787-V1864 HydrophobicContact CG1-CG1 4.03Å; V1787-V1864 HydrophobicContact CG1-CG2 3.94Å; V1787-V1864 HydrophobicContact CG2-CG2 4.48Å; L1857-V1864 HydrophobicContact CB-CB 3.93Å; L1857-V1864 HydrophobicContact CB-CG2 4.01Å; L1857-V1864 PolarHBondContact O-N 2.83Å; W1859-V1864 HydrophobicContact CB-CG2 4.03Å; V1862-V1864 PolarHBondContact O-N 3.5Å; V1864-G1866 PolarHBondContact O-N 3.14Å; V1864-S1867 WeakPolarHBondContact O-CB 3.26Å; V1864-S1867 PolarHBondContact O-N 2.97Å |
| 1865 | P | 65.2 | Low | 73.6 | Confident | 81 Ų | 81 | 37.7 Ų | 37.7 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.3 | 177.3 | -27.3 | 36.9 | 0 | 0 | 0 | 112.8 | P1784 R1785 | P1784-P1865 WeakPolarHBondContact O-CD 3.41Å; R1785-P1865 HydrophobicContact CB-CG 4.48Å; R1785-P1865 HydrophobicContact CG-CG 3.97Å |
| 1866 | G | 61.5 | Low | 72.5 | Confident | 16 Ų | 16 | 42 Ų | 42 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -6.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1864 | V1864-G1866 PolarHBondContact O-N 3.14Š|
| 1867 | S | 67.9 | Low | 71.3 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | trans | -77.4 | 141.8 | 167.4 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | Y1856 L1857 C1863 V1864 | Y1856-S1867 VanDerWaalsContact CA-OG 3.29Å; Y1856-S1867 WeakPolarHBondContact CA-OG 3.37Å; L1857-S1867 PolarHBondContact N-OG 2.89Å; C1863-S1867 VanDerWaalsContact SG-CB 3.58Å; C1863-S1867 PolarHBondContact SG-OG 3.09Å; C1863-S1867 VanDerWaalsContact SG-OG 3.42Å; V1864-S1867 WeakPolarHBondContact O-CB 3.26Å; V1864-S1867 PolarHBondContact O-N 2.97Å | ||
| 1868 | P | 70.3 | Confident | 69.6 | Low | 34 Ų | 34 | 51.7 Ų | 51.7 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | S | Bend | cis | -77.1 | 144 | -5.6 | 30.6 | -33.4 | 0 | 0 | 0 | 112.6 | I1855 Y1856 L1870 P1933 | I1855-P1868 CarbonylContact O-C 3.5Å; I1855-P1868 WeakPolarHBondContact O-CA 3.4Å; Y1856-P1868 HydrophobicContact CD1-CB 3.67Å; Y1856-P1868 HydrophobicContact CD1-CG 4.15Å; Y1856-P1868 HydrophobicContact CD2-CB 4.2Å; Y1856-P1868 HydrophobicContact CE1-CB 3.63Å; Y1856-P1868 HydrophobicContact CE1-CG 3.68Å; Y1856-P1868 HydrophobicContact CE2-CB 4.14Å; Y1856-P1868 HydrophobicContact CG-CB 3.96Å; P1868-L1870 HydrophobicContact CG-CD2 4.34Å; P1868-L1870 PolarHBondContact O-N 3.45Å; P1868-P1933 WeakPolarHBondContact O-CG 3.3Å |
| 1869 | L | 75 | Confident | 68.1 | Low | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.1 | 175.6 | -56.2 | 148.9 | 0 | 0 | 0 | 108 | V1789 I1793 I1855 L1857 W1939 | V1789-L1869 HydrophobicContact CG2-CD1 3.73Å; V1789-L1869 HydrophobicContact CG2-CD2 4.24Å; I1793-L1869 HydrophobicContact CD1-CB 3.59Å; I1793-L1869 HydrophobicContact CD1-CD1 3.7Å; I1793-L1869 HydrophobicContact CD1-CG 4.11Å; I1855-L1869 HydrophobicContact CB-CB 4.25Å; I1855-L1869 PolarHBondContact N-O 3.31Å; I1855-L1869 PolarHBondContact O-N 2.86Å; L1857-L1869 HydrophobicContact CD1-CD1 3.6Å; L1857-L1869 HydrophobicContact CG-CD1 3.85Å; L1869-W1939 HydrophobicContact CD2-CH2 4.34Å |
| 1870 | L | 68 | Low | 66.9 | Low | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.5 | -176.8 | -56.8 | -177.1 | 0 | 0 | 0 | 111.3 | S1854 P1868 P1933 | S1854-L1870 VanDerWaalsContact OG-CD2 3.31Å; S1854-L1870 WeakPolarHBondContact OG-CD2 3.33Å; P1868-L1870 HydrophobicContact CG-CD2 4.34Å; P1868-L1870 PolarHBondContact O-N 3.45Å; L1870-P1933 HydrophobicContact CD1-CB 4.05Å; L1870-P1933 HydrophobicContact CG-CB 4.16Å; L1870-P1933 HydrophobicContact CG-CG 4.43Å |
| 1871 | V | 75.2 | Confident | 66.2 | Low | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 171.2 | 178.4 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | I1793 L1798 E1852 Y1853 I1855 | I1793-V1871 HydrophobicContact CG2-CG1 3.59Å; L1798-V1871 HydrophobicContact CD1-CB 4.19Å; L1798-V1871 HydrophobicContact CD1-CG2 3.51Å; L1798-V1871 HydrophobicContact CG-CG2 4.31Å; E1852-V1871 WeakPolarHBondContact CA-O 3.36Å; Y1853-V1871 PolarHBondContact N-O 3.29Å; Y1853-V1871 PolarHBondContact O-N 2.74Å; I1855-V1871 HydrophobicContact CD1-CG2 3.59Å; I1855-V1871 HydrophobicContact CG1-CG2 4.45Å |
| 1872 | C | 70.3 | Confident | 66.6 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.4 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | G1851 | G1851-C1872 CarbonylContact O-C 3.58Å; G1851-C1872 WeakPolarHBondContact O-CA 3.3Å; G1851-C1872 PolarHBondContact O-SG 2.72Å |
| 1873 | A | 75.4 | Confident | 67.1 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1798 V1800 P1847 E1850 G1851 Y1853 | L1798-A1873 HydrophobicContact CB-CB 3.63Å; L1798-A1873 HydrophobicContact CD1-CB 4.33Å; L1798-A1873 WeakPolarHBondContact O-CA 3.15Å; V1800-A1873 HydrophobicContact CG2-CB 4.18Å; P1847-A1873 HydrophobicContact CB-CB 3.86Å; P1847-A1873 HydrophobicContact CG-CB 4.27Å; E1850-A1873 WeakPolarHBondContact CA-O 3.36Å; G1851-A1873 PolarHBondContact N-O 2.94Å; G1851-A1873 VanDerWaalsContact N-O 3.14Å; G1851-A1873 PolarHBondContact O-N 3.49Å; Y1853-A1873 HydrophobicContact CD2-CB 4.04Å; Y1853-A1873 HydrophobicContact CE2-CB 3.58Å |
| 1874 | K | 68.5 | Low | 67.5 | Low | 105 Ų | 105 | 62.7 Ų | 62.7 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.2 | 180 | -62.6 | -164.3 | 175.2 | -163.1 | 0 | 112 | L1798 V1799 V1800 T1879 | L1798-K1874 PolarHBondContact O-N 3.4Å; V1799-K1874 CarbonylContact C-O 3.58Å; V1799-K1874 VanDerWaalsContact CA-O 3.3Å; V1799-K1874 WeakPolarHBondContact CA-O 3.35Å; V1800-K1874 PolarHBondContact N-O 2.94Å; K1874-T1879 HydrophobicContact CD-CG2 4.24Å |
| 1875 | S | 63.8 | Low | 67.8 | Low | 80 Ų | 80 | 67.4 Ų | 67.4 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -75.3 | -36.3 | -179.8 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | E1850 | E1850-S1875 VanDerWaalsContact OE1-CB 3.24Å; E1850-S1875 WeakPolarHBondContact OE1-CB 3.34Å; E1850-S1875 PolarHBondContact OE1-N 3.48Å; E1850-S1875 PolarHBondContact OE1-OG 2.88Å |
| 1876 | D | 61.6 | Low | 68.8 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -102 | 136 | -175.9 | -156.7 | 12.1 | 0 | 0 | 0 | 111.7 | K1878 | D1876-K1878 PolarHBondContact O-N 2.75Å; D1876-K1878 IonicContact OD1-NZ 3.79Å; D1876-K1878 IonicContact OD2-NZ 3.16Å; D1876-K1878 PolarHBondContact OD2-NZ 2.83Å |
| 1877 | N | 55.2 | Low | 70 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -77.4 | 27.2 | -169.5 | -137.2 | -40.7 | 0 | 0 | 0 | 113.6 | ||
| 1878 | K | 48.2 | Very low | 71 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 70% | 0.7 | 35% | 0.346 | S | S | * | . | trans | -121.6 | 90.4 | -171.6 | -66.9 | 175 | -165 | 128 | 0 | 111.4 | D1876 | D1876-K1878 PolarHBondContact O-N 2.75Å; D1876-K1878 IonicContact OD1-NZ 3.79Å; D1876-K1878 IonicContact OD2-NZ 3.16Å; D1876-K1878 PolarHBondContact OD2-NZ 2.83Å | ||
| 1879 | T | 52.3 | Low | 71.9 | Confident | 33 Ų | 33 | 70 Ų | 70 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | trans | -130.8 | 105.7 | 167.3 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | P1797 K1874 I1881 | P1797-T1879 HydrophobicContact CB-CG2 4.07Å; P1797-T1879 WeakPolarHBondContact CB-OG1 3.35Å; P1797-T1879 HydrophobicContact CG-CG2 4.36Å; P1797-T1879 WeakPolarHBondContact CG-OG1 3.48Å; K1874-T1879 HydrophobicContact CD-CG2 4.24Å; T1879-I1881 PolarHBondContact O-N 2.84Å; T1879-I1881 VanDerWaalsContact O-N 3.15Å | ||
| 1880 | D | 58.9 | Low | 72.1 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 84% | 0.84 | 37% | 0.374 | S | S | * | . | trans | -68.4 | 108 | 173.9 | -72.6 | -30.8 | 0 | 0 | 0 | 110.9 | ||||
| 1881 | I | 64.4 | Low | 72.6 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | trans | -77.4 | 122.6 | 170.5 | -55.8 | 174.3 | 0 | 0 | 0 | 108.5 | T1879 A1911 P1913 | T1879-I1881 PolarHBondContact O-N 2.84Å; T1879-I1881 VanDerWaalsContact O-N 3.15Å; I1881-A1911 CarbonylContact C-O 3.57Å; I1881-A1911 WeakPolarHBondContact CA-O 3.49Å; I1881-P1913 VanDerWaalsContact CD1-O 3.28Å; I1881-P1913 WeakPolarHBondContact CD1-O 3.48Å; I1881-P1913 HydrophobicContact CG1-CG 4.48Å; I1881-P1913 WeakPolarHBondContact CG1-O 3.45Å | ||
| 1882 | N | 78 | Confident | 73 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 33% | 0.326 | 38% | 0.383 | S | S | . | . | trans | -135.8 | 88.1 | -173.9 | -169.7 | -25.1 | 0 | 0 | 0 | 112.1 | R1884 K1885 A1911 | N1882-R1884 PolarHBondContact O-N 3.05Å; N1882-R1884 WeakPolarHBondContact OD1-CB 3.48Å; N1882-R1884 PolarHBondContact OD1-N 3.02Å; N1882-K1885 HydrophobicContact CB-CD 4.37Å; N1882-K1885 HydrophobicContact CB-CG 4.42Å; N1882-K1885 PolarHBondContact O-N 2.84Å; N1882-A1911 PolarHBondContact N-O 3.05Å; N1882-A1911 VanDerWaalsContact O-CB 3.32Å; N1882-A1911 WeakPolarHBondContact O-CB 3.33Å | ||
| 1883 | A | 78.1 | Confident | 73.8 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -56.7 | -16 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | K1885 V1886 W1957 Q1960 | A1883-K1885 VanDerWaalsContact C-N 3.29Å; A1883-K1885 PolarHBondContact O-N 2.87Å; A1883-V1886 PolarHBondContact O-N 3.15Å; A1883-W1957 HydrophobicContact CB-CB 3.91Å; A1883-Q1960 HydrophobicContact CB-CB 3.69Å |
| 1884 | R | 80.6 | Confident | 74.2 | Confident | 209 Ų | 209 | 78.3 Ų | 78.3 | 79% | 0.789 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -77.3 | -12.8 | 175.2 | -60.8 | -176.5 | 174.9 | -172.3 | -0.7 | 113.8 | N1882 | N1882-R1884 PolarHBondContact O-N 3.05Å; N1882-R1884 WeakPolarHBondContact OD1-CB 3.48Å; N1882-R1884 PolarHBondContact OD1-N 3.02Å |
| 1885 | K | 85.4 | Confident | 75 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -92.4 | -2.7 | 174.5 | -66.3 | -176.3 | 176.7 | -177.1 | 0 | 113.6 | N1882 A1883 Q1910 A1911 | N1882-K1885 HydrophobicContact CB-CD 4.37Å; N1882-K1885 HydrophobicContact CB-CG 4.42Å; N1882-K1885 PolarHBondContact O-N 2.84Å; A1883-K1885 VanDerWaalsContact C-N 3.29Å; A1883-K1885 PolarHBondContact O-N 2.87Å; K1885-Q1910 HydrophobicContact CB-CB 4.16Å; K1885-Q1910 HydrophobicContact CD-CB 4.41Å; K1885-Q1910 WeakPolarHBondContact CD-O 3.49Å; K1885-A1911 HydrophobicContact CB-CB 4.15Å |
| 1886 | V | 85.2 | Confident | 75.7 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | trans | -71.6 | 135.3 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | A1883 I1906 D1907 A1911 W1957 I1962 | A1883-V1886 PolarHBondContact O-N 3.15Å; V1886-I1906 HydrophobicContact CG1-CG2 3.61Å; V1886-D1907 CarbonylContact C-O 3.47Å; V1886-D1907 WeakPolarHBondContact CA-O 3.16Å; V1886-A1911 HydrophobicContact CG2-CB 3.43Å; V1886-A1911 VanDerWaalsContact CG2-CB 3.43Å; V1886-W1957 HydrophobicContact CG1-CE3 4.26Å; V1886-W1957 HydrophobicContact CG2-CB 3.76Å; V1886-W1957 HydrophobicContact CG2-CD2 3.63Å; V1886-W1957 HydrophobicContact CG2-CE3 3.99Å; V1886-W1957 HydrophobicContact CG2-CG 3.53Å; V1886-I1962 HydrophobicContact CB-CB 4.21Å; V1886-I1962 HydrophobicContact CB-CG2 3.78Å; V1886-I1962 HydrophobicContact CG1-CB 4.48Å; V1886-I1962 HydrophobicContact CG1-CD1 4.12Å; V1886-I1962 HydrophobicContact CG1-CG2 3.97Å; V1886-I1962 HydrophobicContact CG2-CG2 3.97Å | ||
| 1887 | I | 88.2 | Confident | 76.5 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.8 | 179 | -58.2 | 175.4 | 0 | 0 | 0 | 108.3 | D1907 | I1887-D1907 HydrophobicContact CB-CB 4.48Å; I1887-D1907 PolarHBondContact N-O 3.18Å; I1887-D1907 PolarHBondContact O-N 3.49Å |
| 1888 | T | 89.4 | Confident | 77.4 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.1 | 175.9 | 51 | 0 | 0 | 0 | 0 | 111.8 | I1905 I1906 I1955 I1962 F1967 | T1888-I1905 VanDerWaalsContact CA-O 3.24Å; T1888-I1905 WeakPolarHBondContact CA-O 3.29Å; T1888-I1906 HydrophobicContact CG2-CB 4.29Å; T1888-I1906 HydrophobicContact CG2-CG1 4.17Å; T1888-I1906 HydrophobicContact CG2-CG2 4.03Å; T1888-I1955 HydrophobicContact CG2-CD1 4.12Å; T1888-I1962 HydrophobicContact CG2-CD1 3.37Å; T1888-F1967 VanDerWaalsContact OG1-CZ 3.29Å; T1888-F1967 WeakPolarHBondContact OG1-CZ 3.39Å |
| 1889 | S | 87.7 | Confident | 78.4 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.4 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | F1904 I1905 | S1889-F1904 CarbonylContact O-C 3.54Å; S1889-F1904 VanDerWaalsContact O-CA 3.3Å; S1889-F1904 WeakPolarHBondContact O-CA 3.49Å; S1889-F1904 VanDerWaalsContact O-CB 3.29Å; S1889-F1904 WeakPolarHBondContact O-CB 3.11Å; S1889-I1905 PolarHBondContact N-O 3.34Å; S1889-I1905 VanDerWaalsContact N-O 3.08Å; S1889-I1905 PolarHBondContact O-N 3.44Å |
| 1890 | G | 80.2 | Confident | 79.3 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 125.9 | 155.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1891 | S | 79 | Confident | 80.3 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -68.7 | -33.8 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | L1893 K1894 E1895 | S1891-L1893 PolarHBondContact O-N 2.87Å; S1891-K1894 PolarHBondContact O-N 2.86Å; S1891-E1895 PolarHBondContact O-N 3Å |
| 1892 | G | 83.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -63.9 | -4.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1903 Y1943 I1953 V1969 | G1892-E1903 WeakPolarHBondContact CA-O 3.08Å; G1892-E1903 PolarHBondContact N-O 3.5Å; G1892-Y1943 WeakPolarHBondContact O-CE1 3.23Å; G1892-Y1943 PolarHBondContact O-OH 3.48Å; G1892-I1953 WeakPolarHBondContact O-CD1 3.39Å; G1892-V1969 WeakPolarHBondContact O-CG2 3.49Å |
| 1893 | L | 86.6 | Confident | 81.6 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -87.3 | -3.9 | 169.1 | -67.4 | 164.1 | 0 | 0 | 0 | 113.4 | S1891 F1904 I1955 F1967 | S1891-L1893 PolarHBondContact O-N 2.87Å; L1893-F1904 HydrophobicContact CD1-CB 3.83Å; L1893-F1904 HydrophobicContact CD1-CD2 4.18Å; L1893-F1904 HydrophobicContact CD1-CG 4.18Å; L1893-F1904 HydrophobicContact CD2-CB 4.28Å; L1893-F1904 HydrophobicContact CD2-CD1 4.12Å; L1893-F1904 HydrophobicContact CD2-CD2 3.67Å; L1893-F1904 HydrophobicContact CD2-CE1 4.34Å; L1893-F1904 HydrophobicContact CD2-CE2 3.91Å; L1893-F1904 HydrophobicContact CD2-CG 3.78Å; L1893-F1904 HydrophobicContact CD2-CZ 4.23Å; L1893-F1904 HydrophobicContact CG-CB 3.63Å; L1893-F1904 HydrophobicContact CG-CD1 4.2Å; L1893-F1904 HydrophobicContact CG-CD2 3.96Å; L1893-F1904 HydrophobicContact CG-CG 3.69Å; L1893-I1955 HydrophobicContact CD2-CD1 3.9Å; L1893-F1967 HydrophobicContact CB-CD1 4.48Å; L1893-F1967 HydrophobicContact CD2-CB 4.19Å; L1893-F1967 HydrophobicContact CD2-CD1 4.28Å; L1893-F1967 HydrophobicContact CD2-CD2 4.01Å; L1893-F1967 HydrophobicContact CD2-CG 3.9Å |
| 1894 | K | 84.4 | Confident | 82.3 | Confident | 150 Ų | 150 | 62.3 Ų | 62.3 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133 | -43.1 | -176 | -60.5 | 178.9 | -174.8 | 172.6 | 0 | 113.1 | S1891 V1969 Q1970 | S1891-K1894 PolarHBondContact O-N 2.86Å; K1894-V1969 CarbonylContact O-C 3.59Å; K1894-V1969 WeakPolarHBondContact O-CA 3.31Å; K1894-Q1970 PolarHBondContact O-N 2.63Å |
| 1895 | E | 84.2 | Confident | 82.8 | Confident | 118 Ų | 118 | 54.9 Ų | 54.9 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 153.7 | -172.4 | 66.7 | -158.2 | 135.6 | 0 | 0 | 113 | S1891 Q1970 | S1891-E1895 PolarHBondContact O-N 3Å; E1895-Q1970 WeakPolarHBondContact CA-O 3.44Å |
| 1896 | A | 79.3 | Confident | 83 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1902 Y1943 V1969 Q1970 V1971 M1972 | A1896-A1902 HydrophobicContact CB-CB 3.55Å; A1896-Y1943 HydrophobicContact CB-CE2 4.11Å; A1896-V1969 HydrophobicContact CB-CG1 4.37Å; A1896-Q1970 PolarHBondContact N-O 3.16Å; A1896-Q1970 VanDerWaalsContact N-O 3.13Å; A1896-V1971 HydrophobicContact CB-CG2 4.32Å; A1896-V1971 CarbonylContact O-C 3.54Å; A1896-V1971 WeakPolarHBondContact O-CA 3.23Å; A1896-M1972 PolarHBondContact O-N 3.1Å |
| 1897 | C | 76.7 | Confident | 83.2 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 14% | 0.142 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.1 | 170.7 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | K1899 V1900 M1972 | C1897-K1899 PolarHBondContact O-N 3.35Å; C1897-V1900 HydrophobicContact CB-CB 4.37Å; C1897-V1900 HydrophobicContact CB-CG2 4.01Å; C1897-V1900 PolarHBondContact O-N 3.35Å; C1897-M1972 CarbonylContact C-O 3.54Å; C1897-M1972 WeakPolarHBondContact CA-O 3.31Å |
| 1898 | T | 76.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 135 | 173.4 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | V1900 A1945 L1947 A1948 V1971 M1972 S1974 | T1898-V1900 PolarHBondContact O-N 2.87Å; T1898-A1945 WeakPolarHBondContact CA-O 3.33Å; T1898-L1947 VanDerWaalsContact CG2-C 3.48Å; T1898-A1948 HydrophobicContact CG2-CB 3.96Å; T1898-V1971 HydrophobicContact CG2-CG1 4.12Å; T1898-M1972 PolarHBondContact N-O 2.95Å; T1898-S1974 PolarHBondContact OG1-N 2.87Å |
| 1899 | K | 69 | Low | 82.5 | Confident | 169 Ų | 169 | 47.9 Ų | 47.9 | 74% | 0.735 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 11.3 | 179.1 | -44.6 | 175.1 | -176.1 | 173.6 | 0 | 115.9 | C1897 A1945 | C1897-K1899 PolarHBondContact O-N 3.35Å; K1899-A1945 PolarHBondContact N-O 3.14Å |
| 1900 | V | 70.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -115.7 | 139.9 | 171.4 | -168.2 | 0 | 0 | 0 | 0 | 106.9 | C1897 T1898 | C1897-V1900 HydrophobicContact CB-CB 4.37Å; C1897-V1900 HydrophobicContact CB-CG2 4.01Å; C1897-V1900 PolarHBondContact O-N 3.35Å; T1898-V1900 PolarHBondContact O-N 2.87Å |
| 1901 | E | 79.3 | Confident | 81.9 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 137.5 | 165.6 | -61.8 | -177 | 12.2 | 0 | 0 | 109.9 | Y442 T1942 Y1943 T1944 | Y442-E1901 HydrophobicContact CD2-CG 4.29Å; Y442-E1901 HydrophobicContact CE1-CB 3.69Å; Y442-E1901 HydrophobicContact CE1-CG 3.93Å; Y442-E1901 HydrophobicContact CE2-CB 4.07Å; Y442-E1901 HydrophobicContact CE2-CG 3.54Å; Y442-E1901 VanDerWaalsContact CZ-CG 3.4Å; Y442-E1901 WeakPolarHBondContact OH-CA 3.44Å; Y442-E1901 WeakPolarHBondContact OH-CB 3.28Å; Y442-E1901 PolarHBondContact OH-N 2.86Å; E1901-T1942 WeakPolarHBondContact OE1-CB 3.04Å; E1901-T1942 PolarHBondContact OE1-OG1 3.01Å; E1901-Y1943 CarbonylContact C-O 3.49Å; E1901-Y1943 WeakPolarHBondContact CA-O 3.24Å; E1901-T1944 WeakPolarHBondContact CG-OG1 3.27Å; E1901-T1944 PolarHBondContact N-OG1 3.06Å |
| 1902 | A | 82.7 | Confident | 81.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 150.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A1896 T1942 Y1943 | A1896-A1902 HydrophobicContact CB-CB 3.55Å; A1902-T1942 WeakPolarHBondContact O-CA 3.11Å; A1902-Y1943 HydrophobicContact CB-CE1 4.23Å; A1902-Y1943 HydrophobicContact CB-CE2 4.08Å; A1902-Y1943 PolarHBondContact N-O 3.1Å; A1902-Y1943 PolarHBondContact O-N 2.72Å; A1902-Y1943 VanDerWaalsContact O-N 3.1Å |
| 1903 | E | 88.4 | Confident | 80.2 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.6 | -172.8 | 62.3 | 173.9 | -97.1 | 0 | 0 | 113.3 | G1892 K1940 A1941 T1942 | G1892-E1903 WeakPolarHBondContact CA-O 3.08Å; G1892-E1903 PolarHBondContact N-O 3.5Å; E1903-K1940 VanDerWaalsContact CD-CE 3.43Å; E1903-K1940 VanDerWaalsContact OE1-CE 3.28Å; E1903-K1940 WeakPolarHBondContact OE1-CE 3.45Å; E1903-K1940 IonicContact OE1-NZ 3.87Å; E1903-K1940 PolarHBondContact OE1-NZ 3.07Å; E1903-K1940 WeakPolarHBondContact OE2-CE 3.37Å; E1903-K1940 IonicContact OE2-NZ 3.46Å; E1903-K1940 PolarHBondContact OE2-NZ 3.01Å; E1903-A1941 CarbonylContact C-O 3.59Å; E1903-A1941 VanDerWaalsContact CA-O 3.3Å; E1903-A1941 WeakPolarHBondContact CA-O 3.37Å; E1903-T1942 HydrophobicContact CB-CG2 3.9Å |
| 1904 | F | 91.9 | Very high | 79 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 167.9 | 171.1 | 61.9 | -87.5 | 0 | 0 | 0 | 111.7 | S1889 L1893 I1906 I1929 K1940 A1941 Y1943 I1953 I1955 | S1889-F1904 CarbonylContact O-C 3.54Å; S1889-F1904 VanDerWaalsContact O-CA 3.3Å; S1889-F1904 WeakPolarHBondContact O-CA 3.49Å; S1889-F1904 VanDerWaalsContact O-CB 3.29Å; S1889-F1904 WeakPolarHBondContact O-CB 3.11Å; L1893-F1904 HydrophobicContact CD1-CB 3.83Å; L1893-F1904 HydrophobicContact CD1-CD2 4.18Å; L1893-F1904 HydrophobicContact CD1-CG 4.18Å; L1893-F1904 HydrophobicContact CD2-CB 4.28Å; L1893-F1904 HydrophobicContact CD2-CD1 4.12Å; L1893-F1904 HydrophobicContact CD2-CD2 3.67Å; L1893-F1904 HydrophobicContact CD2-CE1 4.34Å; L1893-F1904 HydrophobicContact CD2-CE2 3.91Å; L1893-F1904 HydrophobicContact CD2-CG 3.78Å; L1893-F1904 HydrophobicContact CD2-CZ 4.23Å; L1893-F1904 HydrophobicContact CG-CB 3.63Å; L1893-F1904 HydrophobicContact CG-CD1 4.2Å; L1893-F1904 HydrophobicContact CG-CD2 3.96Å; L1893-F1904 HydrophobicContact CG-CG 3.69Å; F1904-I1906 HydrophobicContact CD2-CG1 4.02Å; F1904-I1906 HydrophobicContact CE2-CD1 3.94Å; F1904-I1906 HydrophobicContact CE2-CG1 3.84Å; F1904-I1929 HydrophobicContact CZ-CD1 4.33Å; F1904-K1940 WeakPolarHBondContact O-CA 3.21Å; F1904-A1941 HydrophobicContact CD1-CB 3.96Å; F1904-A1941 HydrophobicContact CD2-CB 3.7Å; F1904-A1941 HydrophobicContact CE1-CB 3.63Å; F1904-A1941 HydrophobicContact CE2-CB 3.34Å; F1904-A1941 HydrophobicContact CG-CB 4Å; F1904-A1941 HydrophobicContact CZ-CB 3.31Å; F1904-A1941 PolarHBondContact N-O 2.84Å; F1904-A1941 PolarHBondContact O-N 3.26Å; F1904-Y1943 HydrophobicContact CD1-CE1 4.23Å; F1904-Y1943 HydrophobicContact CE1-CD1 4.14Å; F1904-Y1943 HydrophobicContact CE1-CE1 4.01Å; F1904-I1953 HydrophobicContact CE1-CD1 3.85Å; F1904-I1953 HydrophobicContact CE1-CG2 4.42Å; F1904-I1953 HydrophobicContact CZ-CD1 4.4Å; F1904-I1953 HydrophobicContact CZ-CG2 3.94Å; F1904-I1955 HydrophobicContact CD2-CD1 4.29Å; F1904-I1955 HydrophobicContact CE2-CD1 3.5Å; F1904-I1955 VanDerWaalsContact CE2-CD1 3.5Å; F1904-I1955 HydrophobicContact CE2-CG1 4.49Å; F1904-I1955 HydrophobicContact CZ-CD1 4.09Å |
| 1905 | I | 90.3 | Very high | 78.2 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.6 | 179.7 | -60.8 | 175.6 | 0 | 0 | 0 | 109 | T1888 S1889 I1934 K1938 W1939 | T1888-I1905 VanDerWaalsContact CA-O 3.24Å; T1888-I1905 WeakPolarHBondContact CA-O 3.29Å; S1889-I1905 PolarHBondContact N-O 3.34Å; S1889-I1905 VanDerWaalsContact N-O 3.08Å; S1889-I1905 PolarHBondContact O-N 3.44Å; I1905-I1934 HydrophobicContact CD1-CD1 4.32Å; I1905-I1934 HydrophobicContact CG1-CD1 4.21Å; I1905-I1934 HydrophobicContact CG2-CD1 4.13Å; I1905-K1938 HydrophobicContact CG2-CG 4.28Å; I1905-W1939 CarbonylContact C-O 3.58Å; I1905-W1939 VanDerWaalsContact CA-O 3.3Å; I1905-W1939 WeakPolarHBondContact CA-O 2.95Å |
| 1906 | I | 91 | Very high | 78 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 111.6 | 175.6 | -46.3 | 166.6 | 0 | 0 | 0 | 107.2 | V1886 T1888 F1904 P1916 C1918 L1931 K1938 W1939 A1941 I1955 W1957 | V1886-I1906 HydrophobicContact CG1-CG2 3.61Å; T1888-I1906 HydrophobicContact CG2-CB 4.29Å; T1888-I1906 HydrophobicContact CG2-CG1 4.17Å; T1888-I1906 HydrophobicContact CG2-CG2 4.03Å; F1904-I1906 HydrophobicContact CD2-CG1 4.02Å; F1904-I1906 HydrophobicContact CE2-CD1 3.94Å; F1904-I1906 HydrophobicContact CE2-CG1 3.84Å; I1906-P1916 HydrophobicContact CD1-CB 3.74Å; I1906-P1916 HydrophobicContact CD1-CG 4.24Å; I1906-P1916 HydrophobicContact CG2-CB 4.12Å; I1906-C1918 WeakPolarHBondContact CD1-SG 3.28Å; I1906-L1931 HydrophobicContact CD1-CD2 3.93Å; I1906-K1938 CarbonylContact O-C 3.36Å; I1906-K1938 WeakPolarHBondContact O-CA 3.3Å; I1906-W1939 HydrophobicContact CB-CB 4.47Å; I1906-W1939 PolarHBondContact N-O 3.45Å; I1906-W1939 PolarHBondContact O-N 2.99Å; I1906-A1941 HydrophobicContact CD1-CB 4.39Å; I1906-I1955 HydrophobicContact CD1-CG2 4.22Å; I1906-I1955 HydrophobicContact CG2-CG2 4.45Å; I1906-W1957 HydrophobicContact CG2-CE3 4.38Å; I1906-W1957 HydrophobicContact CG2-CZ3 4.3Å |
| 1907 | D | 88.2 | Confident | 77.9 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 103.4 | -176.6 | -168.1 | -37.1 | 0 | 0 | 0 | 110 | V1886 I1887 T1909 K1938 | V1886-D1907 CarbonylContact C-O 3.47Å; V1886-D1907 WeakPolarHBondContact CA-O 3.16Å; I1887-D1907 HydrophobicContact CB-CB 4.48Å; I1887-D1907 PolarHBondContact N-O 3.18Å; I1887-D1907 PolarHBondContact O-N 3.49Å; D1907-T1909 VanDerWaalsContact OD1-CB 3.29Å; D1907-T1909 WeakPolarHBondContact OD1-CB 3.38Å; D1907-T1909 WeakPolarHBondContact OD1-CG2 3.31Å; D1907-T1909 PolarHBondContact OD1-N 2.81Å; D1907-T1909 PolarHBondContact OD1-OG1 2.93Å; D1907-K1938 HydrophobicContact CB-CG 4.14Å; D1907-K1938 VanDerWaalsContact OD2-CE 3.25Å; D1907-K1938 WeakPolarHBondContact OD2-CE 3.21Å |
| 1908 | G | 83.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -102.8 | 16.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1910 A1911 N1937 | G1908-Q1910 PolarHBondContact O-N 2.97Å; G1908-A1911 WeakPolarHBondContact O-CA 3.29Å; G1908-A1911 WeakPolarHBondContact O-CB 3.43Å; G1908-A1911 PolarHBondContact O-N 2.96Å; G1908-N1937 CarbonylContact C-O 3.56Å; G1908-N1937 VanDerWaalsContact CA-O 3.31Å; G1908-N1937 WeakPolarHBondContact CA-O 3.37Å; G1908-N1937 PolarHBondContact N-O 3.04Å | ||
| 1909 | T | 80.2 | Confident | 78.6 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -53.8 | -38.4 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | D1907 K1938 | D1907-T1909 VanDerWaalsContact OD1-CB 3.29Å; D1907-T1909 WeakPolarHBondContact OD1-CB 3.38Å; D1907-T1909 WeakPolarHBondContact OD1-CG2 3.31Å; D1907-T1909 PolarHBondContact OD1-N 2.81Å; D1907-T1909 PolarHBondContact OD1-OG1 2.93Å; T1909-K1938 HydrophobicContact CG2-CB 4.49Å |
| 1910 | Q | 79.9 | Confident | 79.5 | Confident | 136 Ų | 136 | 39.6 Ų | 39.6 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -82.9 | -13.3 | 175.9 | -66 | -113.5 | -6.5 | 0 | 0 | 113.9 | K1885 G1908 | K1885-Q1910 HydrophobicContact CB-CB 4.16Å; K1885-Q1910 HydrophobicContact CD-CB 4.41Å; K1885-Q1910 WeakPolarHBondContact CD-O 3.49Å; G1908-Q1910 PolarHBondContact O-N 2.97Å |
| 1911 | A | 74.3 | Confident | 80 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -88.6 | -4.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1881 N1882 K1885 V1886 G1908 | I1881-A1911 CarbonylContact C-O 3.57Å; I1881-A1911 WeakPolarHBondContact CA-O 3.49Å; N1882-A1911 PolarHBondContact N-O 3.05Å; N1882-A1911 VanDerWaalsContact O-CB 3.32Å; N1882-A1911 WeakPolarHBondContact O-CB 3.33Å; K1885-A1911 HydrophobicContact CB-CB 4.15Å; V1886-A1911 HydrophobicContact CG2-CB 3.43Å; V1886-A1911 VanDerWaalsContact CG2-CB 3.43Å; G1908-A1911 WeakPolarHBondContact O-CA 3.29Å; G1908-A1911 WeakPolarHBondContact O-CB 3.43Å; G1908-A1911 PolarHBondContact O-N 2.96Å |
| 1912 | G | 63.8 | Low | 79.7 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 19% | 0.186 | 20% | 0.202 | C | C | . | . | trans | 78.7 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | G1914 W1957 | G1912-G1914 PolarHBondContact O-N 2.9Å; G1912-W1957 PolarHBondContact O-NE1 3.27Å | ||
| 1913 | P | 63.5 | Low | 79 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 16% | 0.156 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -59.2 | 121.6 | -170.5 | 23.8 | -33.3 | 0 | 0 | 0 | 111.8 | P1797 I1881 N1937 | P1797-P1913 HydrophobicContact CB-CG 4.15Å; I1881-P1913 VanDerWaalsContact CD1-O 3.28Å; I1881-P1913 WeakPolarHBondContact CD1-O 3.48Å; I1881-P1913 HydrophobicContact CG1-CG 4.48Å; I1881-P1913 WeakPolarHBondContact CG1-O 3.45Å; P1913-N1937 WeakPolarHBondContact CA-OD1 3.38Å |
| 1914 | G | 62 | Low | 78 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | trans | -167.1 | 164.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1912 N1937 W1957 S1958 | G1912-G1914 PolarHBondContact O-N 2.9Å; G1914-N1937 PolarHBondContact N-OD1 2.84Å; G1914-W1957 WeakPolarHBondContact O-CH2 3.42Å; G1914-W1957 VanDerWaalsContact O-CZ2 3.28Å; G1914-W1957 WeakPolarHBondContact O-CZ2 3.11Å; G1914-S1958 VanDerWaalsContact CA-OG 3.24Å; G1914-S1958 WeakPolarHBondContact CA-OG 3.4Å | ||
| 1915 | L | 67.9 | Low | 76.8 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | trans | -109.3 | 138.6 | 169.6 | -69.2 | -179.3 | 0 | 0 | 0 | 110.5 | I1793 W1939 W1957 S1958 | I1793-L1915 HydrophobicContact CB-CD1 3.95Å; I1793-L1915 HydrophobicContact CB-CG 4.43Å; I1793-L1915 HydrophobicContact CG2-CD1 3.7Å; I1793-L1915 HydrophobicContact CG2-CD2 3.69Å; I1793-L1915 HydrophobicContact CG2-CG 3.69Å; L1915-W1939 HydrophobicContact CD2-CH2 3.92Å; L1915-W1939 HydrophobicContact CD2-CZ2 3.43Å; L1915-W1939 VanDerWaalsContact CD2-CZ2 3.43Å; L1915-W1957 WeakPolarHBondContact O-CA 3.33Å; L1915-S1958 PolarHBondContact O-N 2.9Å | ||
| 1916 | P | 79.1 | Confident | 76 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.7 | 163 | 31.9 | -29.5 | 0 | 0 | 0 | 110.3 | I1906 W1939 S1956 W1957 | I1906-P1916 HydrophobicContact CD1-CB 3.74Å; I1906-P1916 HydrophobicContact CD1-CG 4.24Å; I1906-P1916 HydrophobicContact CG2-CB 4.12Å; P1916-W1939 HydrophobicContact CG-CB 3.93Å; P1916-W1939 HydrophobicContact CG-CD2 3.7Å; P1916-W1939 HydrophobicContact CG-CE3 4.37Å; P1916-W1939 HydrophobicContact CG-CG 3.44Å; P1916-W1939 VanDerWaalsContact CG-CG 3.44Å; P1916-S1956 CarbonylContact C-O 3.54Å; P1916-S1956 VanDerWaalsContact CA-O 3.29Å; P1916-S1956 WeakPolarHBondContact CA-O 3.39Å; P1916-W1957 HydrophobicContact CB-CE3 3.93Å; P1916-W1957 HydrophobicContact CB-CZ3 3.94Å; P1916-W1957 HydrophobicContact CG-CE3 4.42Å; P1916-W1957 HydrophobicContact CG-CZ3 3.95Å |
| 1917 | M | 78.2 | Confident | 75.3 | Confident | 108 Ų | 108 | 52.7 Ų | 52.7 | 53% | 0.532 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.3 | 160.9 | -63.9 | -179.1 | 70.5 | 0 | 0 | 108.4 | I1955 S1956 N1959 | M1917-I1955 WeakPolarHBondContact O-CA 3.49Å; M1917-S1956 PolarHBondContact N-O 2.71Å; M1917-S1956 PolarHBondContact O-N 2.92Å; M1917-N1959 PolarHBondContact SD-OD1 2.9Å |
| 1918 | C | 85 | Confident | 74.8 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.7 | -179.5 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | I1906 I1929 L1931 E1954 | I1906-C1918 WeakPolarHBondContact CD1-SG 3.28Å; C1918-I1929 HydrophobicContact CB-CB 4.36Å; C1918-I1929 HydrophobicContact CB-CD1 3.72Å; C1918-I1929 HydrophobicContact CB-CG2 4.08Å; C1918-L1931 HydrophobicContact CB-CD1 4.22Å; C1918-L1931 HydrophobicContact CB-CD2 4.35Å; C1918-E1954 WeakPolarHBondContact CA-O 3.45Å |
| 1919 | R | 82.4 | Confident | 74.8 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 121.5 | 179.7 | 175.1 | 177 | 171.8 | -114.4 | 1.7 | 110.4 | T1921 I1953 E1954 | R1919-T1921 HydrophobicContact CG-CG2 4.04Å; R1919-I1953 WeakPolarHBondContact O-CA 3.41Å; R1919-E1954 HydrophobicContact CB-CB 4.4Å; R1919-E1954 WeakPolarHBondContact CD-OE2 3.26Å; R1919-E1954 IonicContact CZ-OE2 2.71Å; R1919-E1954 PolarHBondContact N-O 3.31Å; R1919-E1954 IonicContact NE-OE2 2.64Å; R1919-E1954 VanDerWaalsContact NH1-CD 3.32Å; R1919-E1954 IonicContact NH1-OE1 2.87Å; R1919-E1954 PolarHBondContact NH1-OE1 3.09Å; R1919-E1954 IonicContact NH1-OE2 2.6Å; R1919-E1954 PolarHBondContact NH1-OE2 2.65Å; R1919-E1954 PolarHBondContact O-N 3.25Å |
| 1920 | M | 86.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.8 | 173.1 | -171.9 | 170.6 | -168.9 | 0 | 0 | 110.4 | N1926 V1927 I1929 Y1943 Y1951 I1953 V1969 V1971 | M1920-N1926 VanDerWaalsContact O-CA 3.32Å; M1920-N1926 WeakPolarHBondContact O-CA 3.03Å; M1920-V1927 HydrophobicContact CB-CB 4.05Å; M1920-V1927 HydrophobicContact CG-CB 4.03Å; M1920-V1927 HydrophobicContact CG-CG2 4.39Å; M1920-V1927 PolarHBondContact O-N 3.48Å; M1920-V1927 HydrophobicContact SD-CB 3.83Å; M1920-V1927 HydrophobicContact SD-CG1 4.16Å; M1920-V1927 HydrophobicContact SD-CG2 4.19Å; M1920-I1929 HydrophobicContact CB-CD1 3.96Å; M1920-I1929 HydrophobicContact CB-CG1 4.12Å; M1920-Y1943 HydrophobicContact CE-CD2 3.93Å; M1920-Y1943 HydrophobicContact CE-CE2 3.44Å; M1920-Y1943 VanDerWaalsContact CE-CE2 3.44Å; M1920-Y1943 HydrophobicContact SD-CD1 4.18Å; M1920-Y1943 HydrophobicContact SD-CD2 3.35Å; M1920-Y1943 WeakPolarHBondContact SD-CD2 3.41Å; M1920-Y1943 HydrophobicContact SD-CE1 4.25Å; M1920-Y1943 HydrophobicContact SD-CE2 3.48Å; M1920-Y1943 WeakPolarHBondContact SD-CE2 3.23Å; M1920-Y1943 HydrophobicContact SD-CG 3.74Å; M1920-Y1951 HydrophobicContact CE-CD1 3.87Å; M1920-Y1951 HydrophobicContact CE-CD2 4.21Å; M1920-Y1951 HydrophobicContact CE-CG 3.57Å; M1920-Y1951 HydrophobicContact CG-CD1 4.1Å; M1920-I1953 HydrophobicContact CB-CG1 4.1Å; M1920-I1953 HydrophobicContact CG-CG1 3.87Å; M1920-I1953 HydrophobicContact SD-CD1 4.28Å; M1920-I1953 HydrophobicContact SD-CG1 4.23Å; M1920-V1969 HydrophobicContact CE-CB 4.19Å; M1920-V1969 HydrophobicContact CE-CG1 4.11Å; M1920-V1969 HydrophobicContact CE-CG2 4.49Å; M1920-V1971 HydrophobicContact CE-CG2 4.37Å |
| 1921 | T | 81.7 | Confident | 74.5 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.9 | 175.8 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | R1919 Y1951 S1952 | R1919-T1921 HydrophobicContact CG-CG2 4.04Å; T1921-Y1951 CarbonylContact O-C 3.52Å; T1921-Y1951 VanDerWaalsContact O-CA 3.27Å; T1921-Y1951 WeakPolarHBondContact O-CA 3.28Å; T1921-Y1951 WeakPolarHBondContact O-CB 3.36Å; T1921-Y1951 WeakPolarHBondContact O-CD1 3.24Å; T1921-S1952 PolarHBondContact N-O 3.38Å; T1921-S1952 PolarHBondContact O-N 3.06Å; T1921-S1952 PolarHBondContact OG1-O 3.44Å |
| 1922 | G | 73.5 | Confident | 74.4 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 169.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1924 G1925 | G1922-K1924 PolarHBondContact O-N 2.82Å; G1922-G1925 PolarHBondContact N-O 3Å; G1922-G1925 VanDerWaalsContact N-O 3.16Å; G1922-G1925 PolarHBondContact O-N 3.24Å; G1922-G1925 VanDerWaalsContact O-N 3.1Å |
| 1923 | Q | 67.9 | Low | 74.6 | Confident | 177 Ų | 177 | 55.3 Ų | 55.3 | 83% | 0.827 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.3 | -174.9 | -65.9 | -178.8 | -19.2 | 0 | 0 | 114.6 | ||
| 1924 | K | 67.3 | Low | 75.1 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 15.1 | -178.1 | -59.4 | 178.9 | -177.5 | 171 | 0 | 113.2 | G1922 L1947 A1948 | G1922-K1924 PolarHBondContact O-N 2.82Å; K1924-L1947 HydrophobicContact CB-CD1 4.04Å; K1924-L1947 HydrophobicContact CD-CB 3.91Å; K1924-L1947 HydrophobicContact CD-CD1 3.95Å; K1924-A1948 PolarHBondContact NZ-O 2.83Å |
| 1925 | G | 66.8 | Low | 75.5 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | trans | 126.9 | 170.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | G1922 | G1922-G1925 PolarHBondContact N-O 3Å; G1922-G1925 VanDerWaalsContact N-O 3.16Å; G1922-G1925 PolarHBondContact O-N 3.24Å; G1922-G1925 VanDerWaalsContact O-N 3.1Å | ||
| 1926 | N | 73.6 | Confident | 75.4 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | trans | -80.7 | 144.9 | 170.1 | -57.8 | -33.9 | 0 | 0 | 0 | 109.5 | M1920 | M1920-N1926 VanDerWaalsContact O-CA 3.32Å; M1920-N1926 WeakPolarHBondContact O-CA 3.03Å | ||
| 1927 | V | 77.3 | Confident | 75.2 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -111.5 | 131.7 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | M1920 Y1943 T1944 Y1951 | M1920-V1927 HydrophobicContact CB-CB 4.05Å; M1920-V1927 HydrophobicContact CG-CB 4.03Å; M1920-V1927 HydrophobicContact CG-CG2 4.39Å; M1920-V1927 PolarHBondContact O-N 3.48Å; M1920-V1927 HydrophobicContact SD-CB 3.83Å; M1920-V1927 HydrophobicContact SD-CG1 4.16Å; M1920-V1927 HydrophobicContact SD-CG2 4.19Å; V1927-Y1943 HydrophobicContact CG1-CD2 4.33Å; V1927-T1944 VanDerWaalsContact CG1-O 3.27Å; V1927-T1944 WeakPolarHBondContact CG1-O 3.31Å; V1927-Y1951 HydrophobicContact CG2-CD1 4.08Å; V1927-Y1951 HydrophobicContact CG2-CE1 3.58Å |
| 1928 | P | 76.6 | Confident | 75.3 | Confident | 111 Ų | 111 | 59 Ų | 59 | 72% | 0.721 | 33% | 0.325 | S | S | * | . | trans | -67.6 | 136.4 | 174.4 | 28.9 | -33.9 | 0 | 0 | 0 | 110.2 | Y1943 | P1928-Y1943 WeakPolarHBondContact O-CB 3.03Š| ||
| 1929 | I | 83.1 | Confident | 75.2 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | trans | -105 | 125.9 | 168.2 | -64.9 | 171.5 | 0 | 0 | 0 | 107.1 | F1904 C1918 M1920 L1931 A1941 T1942 Y1943 I1953 | F1904-I1929 HydrophobicContact CZ-CD1 4.33Å; C1918-I1929 HydrophobicContact CB-CB 4.36Å; C1918-I1929 HydrophobicContact CB-CD1 3.72Å; C1918-I1929 HydrophobicContact CB-CG2 4.08Å; M1920-I1929 HydrophobicContact CB-CD1 3.96Å; M1920-I1929 HydrophobicContact CB-CG1 4.12Å; I1929-L1931 HydrophobicContact CG2-CD2 4.33Å; I1929-L1931 HydrophobicContact CG2-CG 4.36Å; I1929-A1941 HydrophobicContact CG2-CB 3.88Å; I1929-T1942 CarbonylContact C-O 3.59Å; I1929-T1942 WeakPolarHBondContact CA-O 3.4Å; I1929-Y1943 HydrophobicContact CG1-CD1 4.37Å; I1929-I1953 HydrophobicContact CD1-CG2 3.91Å | ||
| 1930 | A | 75.9 | Confident | 75.3 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109 | A1941 T1942 | A1930-A1941 CarbonylContact O-C 3.54Å; A1930-A1941 VanDerWaalsContact O-CA 3.28Å; A1930-A1941 WeakPolarHBondContact O-CA 2.97Å; A1930-T1942 PolarHBondContact N-O 2.89Å; A1930-T1942 PolarHBondContact O-N 2.82Å |
| 1931 | L | 78.6 | Confident | 75.2 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.5 | 173.9 | -73.6 | 172 | 0 | 0 | 0 | 109.3 | I1906 C1918 I1929 W1939 K1940 A1941 | I1906-L1931 HydrophobicContact CD1-CD2 3.93Å; C1918-L1931 HydrophobicContact CB-CD1 4.22Å; C1918-L1931 HydrophobicContact CB-CD2 4.35Å; I1929-L1931 HydrophobicContact CG2-CD2 4.33Å; I1929-L1931 HydrophobicContact CG2-CG 4.36Å; L1931-W1939 HydrophobicContact CB-CE3 4.1Å; L1931-W1939 HydrophobicContact CB-CZ3 4.45Å; L1931-K1940 WeakPolarHBondContact CA-O 3.14Å; L1931-A1941 HydrophobicContact CD2-CB 3.64Å |
| 1932 | T | 70.8 | Confident | 75.3 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.9 | 175.5 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | W1939 K1940 | T1932-W1939 CarbonylContact O-C 3.58Å; T1932-W1939 WeakPolarHBondContact O-CA 3.36Å; T1932-K1940 PolarHBondContact N-O 3.08Å; T1932-K1940 PolarHBondContact O-N 2.88Å |
| 1933 | P | 69.2 | Low | 76 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.3 | 175.9 | 24.4 | -24.5 | 0 | 0 | 0 | 110.4 | P1868 L1870 W1939 | P1868-P1933 WeakPolarHBondContact O-CG 3.3Å; L1870-P1933 HydrophobicContact CD1-CB 4.05Å; L1870-P1933 HydrophobicContact CG-CB 4.16Å; L1870-P1933 HydrophobicContact CG-CG 4.43Å; P1933-W1939 HydrophobicContact CB-CD2 4Å; P1933-W1939 HydrophobicContact CB-CE3 3.94Å; P1933-W1939 HydrophobicContact CB-CH2 4.02Å; P1933-W1939 HydrophobicContact CB-CZ2 4.07Å; P1933-W1939 HydrophobicContact CB-CZ3 3.96Å; P1933-W1939 HydrophobicContact CG-CE3 4.29Å; P1933-W1939 HydrophobicContact CG-CH2 4.03Å; P1933-W1939 HydrophobicContact CG-CZ3 3.91Å |
| 1934 | I | 74.5 | Confident | 76.6 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -50 | 178.5 | -44.3 | 173.8 | 0 | 0 | 0 | 109.6 | I1905 K1938 K1940 | I1905-I1934 HydrophobicContact CD1-CD1 4.32Å; I1905-I1934 HydrophobicContact CG1-CD1 4.21Å; I1905-I1934 HydrophobicContact CG2-CD1 4.13Å; I1934-K1938 PolarHBondContact N-O 2.79Å; I1934-K1940 HydrophobicContact CD1-CB 3.9Å; I1934-K1940 HydrophobicContact CG1-CB 3.98Å |
| 1935 | E | 70.2 | Confident | 77.2 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 165.1 | -179 | -65.4 | 154.4 | -137.7 | 0 | 0 | 107.2 | N1937 K1938 | E1935-N1937 PolarHBondContact O-N 3.21Å; E1935-K1938 HydrophobicContact CB-CB 3.96Å; E1935-K1938 HydrophobicContact CB-CD 3.99Å; E1935-K1938 HydrophobicContact CG-CD 4.15Å; E1935-K1938 PolarHBondContact N-O 3.36Å; E1935-K1938 PolarHBondContact O-N 3.1Å; E1935-K1938 IonicContact OE1-NZ 3.5Å; E1935-K1938 PolarHBondContact OE1-NZ 3.44Å; E1935-K1938 WeakPolarHBondContact OE2-CD 3.17Å; E1935-K1938 IonicContact OE2-NZ 3.63Å; E1935-K1938 PolarHBondContact OE2-NZ 3.45Å |
| 1936 | P | 66.1 | Low | 77.6 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.8 | 174.3 | -24.4 | 32.2 | 0 | 0 | 0 | 112 | E1852 K1938 | E1852-P1936 HydrophobicContact CG-CG 4.04Å; E1852-P1936 VanDerWaalsContact OE2-CG 3.24Å; E1852-P1936 WeakPolarHBondContact OE2-CG 3.22Å; P1936-K1938 VanDerWaalsContact C-N 3.27Å; P1936-K1938 PolarHBondContact O-N 2.84Å |
| 1937 | N | 73.3 | Confident | 77.8 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 20.7 | -173.1 | -51.3 | -69.7 | 0 | 0 | 0 | 115.7 | G1908 P1913 G1914 E1935 W1957 | G1908-N1937 CarbonylContact C-O 3.56Å; G1908-N1937 VanDerWaalsContact CA-O 3.31Å; G1908-N1937 WeakPolarHBondContact CA-O 3.37Å; G1908-N1937 PolarHBondContact N-O 3.04Å; P1913-N1937 WeakPolarHBondContact CA-OD1 3.38Å; G1914-N1937 PolarHBondContact N-OD1 2.84Å; E1935-N1937 PolarHBondContact O-N 3.21Å; N1937-W1957 HydrophobicContact CB-CH2 3.9Å; N1937-W1957 HydrophobicContact CB-CZ2 3.81Å; N1937-W1957 VanDerWaalsContact O-CH2 3.24Å; N1937-W1957 WeakPolarHBondContact O-CH2 3.4Å |
| 1938 | K | 81.7 | Confident | 77.8 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.9 | -179.6 | -165.3 | -171.6 | -165.8 | 177.6 | 0 | 111.6 | I1905 I1906 D1907 T1909 I1934 E1935 P1936 | I1905-K1938 HydrophobicContact CG2-CG 4.28Å; I1906-K1938 CarbonylContact O-C 3.36Å; I1906-K1938 WeakPolarHBondContact O-CA 3.3Å; D1907-K1938 HydrophobicContact CB-CG 4.14Å; D1907-K1938 VanDerWaalsContact OD2-CE 3.25Å; D1907-K1938 WeakPolarHBondContact OD2-CE 3.21Å; T1909-K1938 HydrophobicContact CG2-CB 4.49Å; I1934-K1938 PolarHBondContact N-O 2.79Å; E1935-K1938 HydrophobicContact CB-CB 3.96Å; E1935-K1938 HydrophobicContact CB-CD 3.99Å; E1935-K1938 HydrophobicContact CG-CD 4.15Å; E1935-K1938 PolarHBondContact N-O 3.36Å; E1935-K1938 PolarHBondContact O-N 3.1Å; E1935-K1938 IonicContact OE1-NZ 3.5Å; E1935-K1938 PolarHBondContact OE1-NZ 3.44Å; E1935-K1938 WeakPolarHBondContact OE2-CD 3.17Å; E1935-K1938 IonicContact OE2-NZ 3.63Å; E1935-K1938 PolarHBondContact OE2-NZ 3.45Å; P1936-K1938 VanDerWaalsContact C-N 3.27Å; P1936-K1938 PolarHBondContact O-N 2.84Å |
| 1939 | W | 83.1 | Confident | 78.1 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.9 | -164.3 | -63.9 | 74.3 | 0 | 0 | 0 | 111.5 | L1869 I1905 I1906 L1915 P1916 L1931 T1932 P1933 | L1869-W1939 HydrophobicContact CD2-CH2 4.34Å; I1905-W1939 CarbonylContact C-O 3.58Å; I1905-W1939 VanDerWaalsContact CA-O 3.3Å; I1905-W1939 WeakPolarHBondContact CA-O 2.95Å; I1906-W1939 HydrophobicContact CB-CB 4.47Å; I1906-W1939 PolarHBondContact N-O 3.45Å; I1906-W1939 PolarHBondContact O-N 2.99Å; L1915-W1939 HydrophobicContact CD2-CH2 3.92Å; L1915-W1939 HydrophobicContact CD2-CZ2 3.43Å; L1915-W1939 VanDerWaalsContact CD2-CZ2 3.43Å; P1916-W1939 HydrophobicContact CG-CB 3.93Å; P1916-W1939 HydrophobicContact CG-CD2 3.7Å; P1916-W1939 HydrophobicContact CG-CE3 4.37Å; P1916-W1939 HydrophobicContact CG-CG 3.44Å; P1916-W1939 VanDerWaalsContact CG-CG 3.44Å; L1931-W1939 HydrophobicContact CB-CE3 4.1Å; L1931-W1939 HydrophobicContact CB-CZ3 4.45Å; T1932-W1939 CarbonylContact O-C 3.58Å; T1932-W1939 WeakPolarHBondContact O-CA 3.36Å; P1933-W1939 HydrophobicContact CB-CD2 4Å; P1933-W1939 HydrophobicContact CB-CE3 3.94Å; P1933-W1939 HydrophobicContact CB-CH2 4.02Å; P1933-W1939 HydrophobicContact CB-CZ2 4.07Å; P1933-W1939 HydrophobicContact CB-CZ3 3.96Å; P1933-W1939 HydrophobicContact CG-CE3 4.29Å; P1933-W1939 HydrophobicContact CG-CH2 4.03Å; P1933-W1939 HydrophobicContact CG-CZ3 3.91Å |
| 1940 | K | 83.7 | Confident | 78.1 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 142.6 | 163.2 | -177.2 | 166.1 | 175.2 | 158.5 | 0 | 108.7 | C444 E1903 F1904 L1931 T1932 I1934 T1942 | C444-K1940 HydrophobicContact CB-CD 4.07Å; C444-K1940 VanDerWaalsContact SG-CD 3.59Å; C444-K1940 PolarHBondContact SG-NZ 2.89Å; E1903-K1940 VanDerWaalsContact CD-CE 3.43Å; E1903-K1940 VanDerWaalsContact OE1-CE 3.28Å; E1903-K1940 WeakPolarHBondContact OE1-CE 3.45Å; E1903-K1940 IonicContact OE1-NZ 3.87Å; E1903-K1940 PolarHBondContact OE1-NZ 3.07Å; E1903-K1940 WeakPolarHBondContact OE2-CE 3.37Å; E1903-K1940 IonicContact OE2-NZ 3.46Å; E1903-K1940 PolarHBondContact OE2-NZ 3.01Å; F1904-K1940 WeakPolarHBondContact O-CA 3.21Å; L1931-K1940 WeakPolarHBondContact CA-O 3.14Å; T1932-K1940 PolarHBondContact N-O 3.08Å; T1932-K1940 PolarHBondContact O-N 2.88Å; I1934-K1940 HydrophobicContact CD1-CB 3.9Å; I1934-K1940 HydrophobicContact CG1-CB 3.98Å; K1940-T1942 HydrophobicContact CD-CG2 4.27Å; K1940-T1942 VanDerWaalsContact CE-CG2 3.48Å; K1940-T1942 HydrophobicContact CG-CG2 4.02Å |
| 1941 | A | 85.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | E1903 F1904 I1906 I1929 A1930 L1931 | E1903-A1941 CarbonylContact C-O 3.59Å; E1903-A1941 VanDerWaalsContact CA-O 3.3Å; E1903-A1941 WeakPolarHBondContact CA-O 3.37Å; F1904-A1941 HydrophobicContact CD1-CB 3.96Å; F1904-A1941 HydrophobicContact CD2-CB 3.7Å; F1904-A1941 HydrophobicContact CE1-CB 3.63Å; F1904-A1941 HydrophobicContact CE2-CB 3.34Å; F1904-A1941 HydrophobicContact CG-CB 4Å; F1904-A1941 HydrophobicContact CZ-CB 3.31Å; F1904-A1941 PolarHBondContact N-O 2.84Å; F1904-A1941 PolarHBondContact O-N 3.26Å; I1906-A1941 HydrophobicContact CD1-CB 4.39Å; I1929-A1941 HydrophobicContact CG2-CB 3.88Å; A1930-A1941 CarbonylContact O-C 3.54Å; A1930-A1941 VanDerWaalsContact O-CA 3.28Å; A1930-A1941 WeakPolarHBondContact O-CA 2.97Å; L1931-A1941 HydrophobicContact CD2-CB 3.64Å |
| 1942 | T | 83.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.4 | 177 | 80 | 0 | 0 | 0 | 0 | 112.2 | E1901 A1902 E1903 I1929 A1930 K1940 | E1901-T1942 WeakPolarHBondContact OE1-CB 3.04Å; E1901-T1942 PolarHBondContact OE1-OG1 3.01Å; A1902-T1942 WeakPolarHBondContact O-CA 3.11Å; E1903-T1942 HydrophobicContact CB-CG2 3.9Å; I1929-T1942 CarbonylContact C-O 3.59Å; I1929-T1942 WeakPolarHBondContact CA-O 3.4Å; A1930-T1942 PolarHBondContact N-O 2.89Å; A1930-T1942 PolarHBondContact O-N 2.82Å; K1940-T1942 HydrophobicContact CD-CG2 4.27Å; K1940-T1942 VanDerWaalsContact CE-CG2 3.48Å; K1940-T1942 HydrophobicContact CG-CG2 4.02Å |
| 1943 | Y | 86.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 141.2 | 178 | 64.1 | -91.2 | 0 | 0 | 0 | 111.4 | G1892 A1896 E1901 A1902 F1904 M1920 V1927 P1928 I1929 A1945 I1953 V1969 | G1892-Y1943 WeakPolarHBondContact O-CE1 3.23Å; G1892-Y1943 PolarHBondContact O-OH 3.48Å; A1896-Y1943 HydrophobicContact CB-CE2 4.11Å; E1901-Y1943 CarbonylContact C-O 3.49Å; E1901-Y1943 WeakPolarHBondContact CA-O 3.24Å; A1902-Y1943 HydrophobicContact CB-CE1 4.23Å; A1902-Y1943 HydrophobicContact CB-CE2 4.08Å; A1902-Y1943 PolarHBondContact N-O 3.1Å; A1902-Y1943 PolarHBondContact O-N 2.72Å; A1902-Y1943 VanDerWaalsContact O-N 3.1Å; F1904-Y1943 HydrophobicContact CD1-CE1 4.23Å; F1904-Y1943 HydrophobicContact CE1-CD1 4.14Å; F1904-Y1943 HydrophobicContact CE1-CE1 4.01Å; M1920-Y1943 HydrophobicContact CE-CD2 3.93Å; M1920-Y1943 HydrophobicContact CE-CE2 3.44Å; M1920-Y1943 VanDerWaalsContact CE-CE2 3.44Å; M1920-Y1943 HydrophobicContact SD-CD1 4.18Å; M1920-Y1943 HydrophobicContact SD-CD2 3.35Å; M1920-Y1943 WeakPolarHBondContact SD-CD2 3.41Å; M1920-Y1943 HydrophobicContact SD-CE1 4.25Å; M1920-Y1943 HydrophobicContact SD-CE2 3.48Å; M1920-Y1943 WeakPolarHBondContact SD-CE2 3.23Å; M1920-Y1943 HydrophobicContact SD-CG 3.74Å; V1927-Y1943 HydrophobicContact CG1-CD2 4.33Å; P1928-Y1943 WeakPolarHBondContact O-CB 3.03Å; I1929-Y1943 HydrophobicContact CG1-CD1 4.37Å; Y1943-A1945 HydrophobicContact CE2-CB 4.48Å; Y1943-I1953 HydrophobicContact CD1-CD1 4.23Å; Y1943-I1953 HydrophobicContact CE1-CD1 3.55Å; Y1943-V1969 WeakPolarHBondContact OH-CG1 3.46Å |
| 1944 | T | 81.5 | Confident | 81.1 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.5 | 165.7 | -70.4 | 0 | 0 | 0 | 0 | 110.2 | E1901 V1927 | E1901-T1944 WeakPolarHBondContact CG-OG1 3.27Å; E1901-T1944 PolarHBondContact N-OG1 3.06Å; V1927-T1944 VanDerWaalsContact CG1-O 3.27Å; V1927-T1944 WeakPolarHBondContact CG1-O 3.31Å |
| 1945 | A | 79.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -81 | 124.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1898 K1899 Y1943 V1971 | T1898-A1945 WeakPolarHBondContact CA-O 3.33Å; K1899-A1945 PolarHBondContact N-O 3.14Å; Y1943-A1945 HydrophobicContact CE2-CB 4.48Å; A1945-V1971 HydrophobicContact CB-CB 4.33Å; A1945-V1971 HydrophobicContact CB-CG1 3.61Å; A1945-V1971 HydrophobicContact CB-CG2 3.75Å | ||
| 1946 | P | 75.2 | Confident | 82.5 | Confident | 80 Ų | 80 | 28.2 Ų | 28.2 | 52% | 0.519 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -80.5 | -21.8 | -176.6 | 30.8 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 1947 | L | 78.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 26.8 Ų | 26.8 | 45% | 0.45 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -140.9 | 142.2 | -171.5 | -65.1 | 172.3 | 0 | 0 | 0 | 111.1 | T1898 K1924 Y1951 | T1898-L1947 VanDerWaalsContact CG2-C 3.48Å; K1924-L1947 HydrophobicContact CB-CD1 4.04Å; K1924-L1947 HydrophobicContact CD-CB 3.91Å; K1924-L1947 HydrophobicContact CD-CD1 3.95Å; L1947-Y1951 WeakPolarHBondContact O-CE2 3.4Å; L1947-Y1951 PolarHBondContact O-OH 3.27Å |
| 1948 | A | 77.1 | Confident | 83.2 | Confident | 14 Ų | 14 | 27 Ų | 27 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | trans | -70.5 | 143.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1898 K1924 V1971 H1973 | T1898-A1948 HydrophobicContact CG2-CB 3.96Å; K1924-A1948 PolarHBondContact NZ-O 2.83Å; A1948-V1971 WeakPolarHBondContact CA-O 3.47Å; A1948-V1971 WeakPolarHBondContact CB-O 3.06Å; A1948-H1973 WeakPolarHBondContact CB-NE2 3.17Å | ||
| 1949 | G | 81.5 | Confident | 82.7 | Confident | 20 Ų | 20 | 29.5 Ų | 29.5 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.2 | -178.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1971 | G1949-V1971 PolarHBondContact N-O 2.98Å; G1949-V1971 WeakPolarHBondContact O-CB 3.38Å; G1949-V1971 PolarHBondContact O-N 2.96Å |
| 1950 | S | 83.9 | Confident | 82.3 | Confident | 54 Ų | 54 | 34.7 Ų | 34.7 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.4 | 173.7 | -169.8 | 0 | 0 | 0 | 0 | 111 | V1969 | S1950-V1969 WeakPolarHBondContact CA-O 3.23Å; S1950-V1969 PolarHBondContact OG-O 3.43Å |
| 1951 | Y | 86.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 163.9 | -176.8 | -72 | -102.1 | 0 | 0 | 0 | 110.5 | M1920 T1921 V1927 L1947 R1968 V1969 V1971 | M1920-Y1951 HydrophobicContact CE-CD1 3.87Å; M1920-Y1951 HydrophobicContact CE-CD2 4.21Å; M1920-Y1951 HydrophobicContact CE-CG 3.57Å; M1920-Y1951 HydrophobicContact CG-CD1 4.1Å; T1921-Y1951 CarbonylContact O-C 3.52Å; T1921-Y1951 VanDerWaalsContact O-CA 3.27Å; T1921-Y1951 WeakPolarHBondContact O-CA 3.28Å; T1921-Y1951 WeakPolarHBondContact O-CB 3.36Å; T1921-Y1951 WeakPolarHBondContact O-CD1 3.24Å; V1927-Y1951 HydrophobicContact CG2-CD1 4.08Å; V1927-Y1951 HydrophobicContact CG2-CE1 3.58Å; L1947-Y1951 WeakPolarHBondContact O-CE2 3.4Å; L1947-Y1951 PolarHBondContact O-OH 3.27Å; Y1951-R1968 WeakPolarHBondContact O-CA 3.48Å; Y1951-V1969 PolarHBondContact N-O 2.96Å; Y1951-V1969 PolarHBondContact O-N 3.1Å; Y1951-V1971 HydrophobicContact CD2-CB 4.23Å; Y1951-V1971 HydrophobicContact CD2-CG2 3.44Å; Y1951-V1971 VanDerWaalsContact CD2-CG2 3.44Å; Y1951-V1971 HydrophobicContact CE2-CB 4.16Å; Y1951-V1971 HydrophobicContact CE2-CG2 3.7Å; Y1951-V1971 HydrophobicContact CG-CG2 4.35Å |
| 1952 | S | 88.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 118.3 | -177.4 | -158.3 | 0 | 0 | 0 | 0 | 109.9 | T1921 F1967 | T1921-S1952 PolarHBondContact N-O 3.38Å; T1921-S1952 PolarHBondContact O-N 3.06Å; T1921-S1952 PolarHBondContact OG1-O 3.44Å; S1952-F1967 CarbonylContact C-O 3.47Å; S1952-F1967 WeakPolarHBondContact CA-O 3.35Å |
| 1953 | I | 92 | Very high | 82.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 108.9 | 176.6 | -60.6 | -177.7 | 0 | 0 | 0 | 109 | G1892 F1904 R1919 M1920 I1929 Y1943 I1955 P1966 F1967 V1969 | G1892-I1953 WeakPolarHBondContact O-CD1 3.39Å; F1904-I1953 HydrophobicContact CE1-CD1 3.85Å; F1904-I1953 HydrophobicContact CE1-CG2 4.42Å; F1904-I1953 HydrophobicContact CZ-CD1 4.4Å; F1904-I1953 HydrophobicContact CZ-CG2 3.94Å; R1919-I1953 WeakPolarHBondContact O-CA 3.41Å; M1920-I1953 HydrophobicContact CB-CG1 4.1Å; M1920-I1953 HydrophobicContact CG-CG1 3.87Å; M1920-I1953 HydrophobicContact SD-CD1 4.28Å; M1920-I1953 HydrophobicContact SD-CG1 4.23Å; I1929-I1953 HydrophobicContact CD1-CG2 3.91Å; Y1943-I1953 HydrophobicContact CD1-CD1 4.23Å; Y1943-I1953 HydrophobicContact CE1-CD1 3.55Å; I1953-I1955 HydrophobicContact CG2-CD1 4.15Å; I1953-I1955 HydrophobicContact CG2-CG1 3.8Å; I1953-P1966 CarbonylContact O-C 3.31Å; I1953-P1966 VanDerWaalsContact O-CA 3.28Å; I1953-P1966 WeakPolarHBondContact O-CA 3.4Å; I1953-F1967 PolarHBondContact N-O 3.22Å; I1953-F1967 PolarHBondContact O-N 3.44Å; I1953-V1969 HydrophobicContact CD1-CG2 3.64Å; I1953-V1969 HydrophobicContact CG1-CG2 3.95Å |
| 1954 | E | 89.7 | Confident | 82.4 | Confident | 73 Ų | 73 | 50 Ų | 50 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.3 | 168.2 | -68 | 163.3 | -179 | 0 | 0 | 108.9 | C1918 R1919 P1966 | C1918-E1954 WeakPolarHBondContact CA-O 3.45Å; R1919-E1954 HydrophobicContact CB-CB 4.4Å; R1919-E1954 WeakPolarHBondContact CD-OE2 3.26Å; R1919-E1954 IonicContact CZ-OE2 2.71Å; R1919-E1954 PolarHBondContact N-O 3.31Å; R1919-E1954 IonicContact NE-OE2 2.64Å; R1919-E1954 VanDerWaalsContact NH1-CD 3.32Å; R1919-E1954 IonicContact NH1-OE1 2.87Å; R1919-E1954 PolarHBondContact NH1-OE1 3.09Å; R1919-E1954 IonicContact NH1-OE2 2.6Å; R1919-E1954 PolarHBondContact NH1-OE2 2.65Å; R1919-E1954 PolarHBondContact O-N 3.25Å; E1954-P1966 HydrophobicContact CG-CB 3.98Å |
| 1955 | I | 91.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133 | 173.1 | -50.3 | -178.3 | 0 | 0 | 0 | 109.5 | T1888 L1893 F1904 I1906 M1917 I1953 I1962 S1965 F1967 | T1888-I1955 HydrophobicContact CG2-CD1 4.12Å; L1893-I1955 HydrophobicContact CD2-CD1 3.9Å; F1904-I1955 HydrophobicContact CD2-CD1 4.29Å; F1904-I1955 HydrophobicContact CE2-CD1 3.5Å; F1904-I1955 VanDerWaalsContact CE2-CD1 3.5Å; F1904-I1955 HydrophobicContact CE2-CG1 4.49Å; F1904-I1955 HydrophobicContact CZ-CD1 4.09Å; I1906-I1955 HydrophobicContact CD1-CG2 4.22Å; I1906-I1955 HydrophobicContact CG2-CG2 4.45Å; M1917-I1955 WeakPolarHBondContact O-CA 3.49Å; I1953-I1955 HydrophobicContact CG2-CD1 4.15Å; I1953-I1955 HydrophobicContact CG2-CG1 3.8Å; I1955-I1962 HydrophobicContact CB-CD1 3.83Å; I1955-I1962 HydrophobicContact CB-CG1 3.86Å; I1955-I1962 HydrophobicContact CD1-CD1 4.35Å; I1955-I1962 HydrophobicContact CG2-CD1 3.5Å; I1955-I1962 HydrophobicContact CG2-CG1 3.83Å; I1955-I1962 HydrophobicContact CG2-CG2 4.49Å; I1955-I1962 PolarHBondContact O-N 3.23Å; I1955-S1965 PolarHBondContact N-OG 2.85Å; I1955-S1965 VanDerWaalsContact O-CB 3.22Å; I1955-S1965 WeakPolarHBondContact O-CB 3.47Å; I1955-S1965 PolarHBondContact O-OG 2.94Å; I1955-F1967 HydrophobicContact CB-CE2 4.42Å; I1955-F1967 HydrophobicContact CD1-CD2 3.87Å; I1955-F1967 HydrophobicContact CD1-CE2 3.73Å; I1955-F1967 HydrophobicContact CG1-CD2 4.18Å; I1955-F1967 HydrophobicContact CG1-CE2 4.16Å |
| 1956 | S | 84.4 | Confident | 83.1 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.1 | 171.5 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | P1916 M1917 Q1960 | P1916-S1956 CarbonylContact C-O 3.54Å; P1916-S1956 VanDerWaalsContact CA-O 3.29Å; P1916-S1956 WeakPolarHBondContact CA-O 3.39Å; M1917-S1956 PolarHBondContact N-O 2.71Å; M1917-S1956 PolarHBondContact O-N 2.92Å; S1956-Q1960 CarbonylContact C-O 3.6Å; S1956-Q1960 WeakPolarHBondContact CA-O 3.26Å; S1956-Q1960 VanDerWaalsContact CB-O 3.25Å; S1956-Q1960 WeakPolarHBondContact CB-O 3.38Å |
| 1957 | W | 82.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.6 | 174.9 | -168.4 | -97.9 | 0 | 0 | 0 | 108.3 | A1883 V1886 I1906 G1912 G1914 L1915 P1916 N1937 N1959 Q1960 I1962 | A1883-W1957 HydrophobicContact CB-CB 3.91Å; V1886-W1957 HydrophobicContact CG1-CE3 4.26Å; V1886-W1957 HydrophobicContact CG2-CB 3.76Å; V1886-W1957 HydrophobicContact CG2-CD2 3.63Å; V1886-W1957 HydrophobicContact CG2-CE3 3.99Å; V1886-W1957 HydrophobicContact CG2-CG 3.53Å; I1906-W1957 HydrophobicContact CG2-CE3 4.38Å; I1906-W1957 HydrophobicContact CG2-CZ3 4.3Å; G1912-W1957 PolarHBondContact O-NE1 3.27Å; G1914-W1957 WeakPolarHBondContact O-CH2 3.42Å; G1914-W1957 VanDerWaalsContact O-CZ2 3.28Å; G1914-W1957 WeakPolarHBondContact O-CZ2 3.11Å; L1915-W1957 WeakPolarHBondContact O-CA 3.33Å; P1916-W1957 HydrophobicContact CB-CE3 3.93Å; P1916-W1957 HydrophobicContact CB-CZ3 3.94Å; P1916-W1957 HydrophobicContact CG-CE3 4.42Å; P1916-W1957 HydrophobicContact CG-CZ3 3.95Å; N1937-W1957 HydrophobicContact CB-CH2 3.9Å; N1937-W1957 HydrophobicContact CB-CZ2 3.81Å; N1937-W1957 VanDerWaalsContact O-CH2 3.24Å; N1937-W1957 WeakPolarHBondContact O-CH2 3.4Å; W1957-N1959 VanDerWaalsContact C-N 3.29Å; W1957-N1959 PolarHBondContact O-N 2.77Å; W1957-Q1960 PolarHBondContact N-O 2.78Å; W1957-Q1960 PolarHBondContact O-N 3.04Å; W1957-I1962 HydrophobicContact CB-CG2 3.7Å |
| 1958 | S | 72 | Confident | 84.3 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 47.4 | -179.3 | -44.5 | 0 | 0 | 0 | 0 | 112.1 | G1794 G1914 L1915 Q1960 | G1794-S1958 WeakPolarHBondContact O-CB 3.28Å; G1794-S1958 PolarHBondContact O-OG 2.85Å; G1914-S1958 VanDerWaalsContact CA-OG 3.24Å; G1914-S1958 WeakPolarHBondContact CA-OG 3.4Å; L1915-S1958 PolarHBondContact O-N 2.9Å; S1958-Q1960 PolarHBondContact O-N 3.49Å |
| 1959 | N | 69.9 | Low | 84.9 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 0.6 | -173 | -61.7 | -9.4 | 0 | 0 | 0 | 117.5 | M1917 W1957 | M1917-N1959 PolarHBondContact SD-OD1 2.9Å; W1957-N1959 VanDerWaalsContact C-N 3.29Å; W1957-N1959 PolarHBondContact O-N 2.77Å |
| 1960 | Q | 75.9 | Confident | 85 | Confident | 119 Ų | 119 | 58.5 Ų | 58.5 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.8 | 173.2 | -66.8 | -167.2 | 9.7 | 0 | 0 | 112 | A1883 S1956 W1957 S1958 I1962 | A1883-Q1960 HydrophobicContact CB-CB 3.69Å; S1956-Q1960 CarbonylContact C-O 3.6Å; S1956-Q1960 WeakPolarHBondContact CA-O 3.26Å; S1956-Q1960 VanDerWaalsContact CB-O 3.25Å; S1956-Q1960 WeakPolarHBondContact CB-O 3.38Å; W1957-Q1960 PolarHBondContact N-O 2.78Å; W1957-Q1960 PolarHBondContact O-N 3.04Å; S1958-Q1960 PolarHBondContact O-N 3.49Å; Q1960-I1962 PolarHBondContact O-N 3.4Å |
| 1961 | P | 82.9 | Confident | 85 | Confident | 94 Ų | 94 | 56 Ų | 56 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.7 | 179.1 | 26.3 | -34 | 0 | 0 | 0 | 111.5 | ||
| 1962 | I | 91.6 | Very high | 84.6 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 166.6 | -178.4 | 66.9 | 162.4 | 0 | 0 | 0 | 112 | V1886 T1888 I1955 W1957 Q1960 G1964 S1965 F1967 | V1886-I1962 HydrophobicContact CB-CB 4.21Å; V1886-I1962 HydrophobicContact CB-CG2 3.78Å; V1886-I1962 HydrophobicContact CG1-CB 4.48Å; V1886-I1962 HydrophobicContact CG1-CD1 4.12Å; V1886-I1962 HydrophobicContact CG1-CG2 3.97Å; V1886-I1962 HydrophobicContact CG2-CG2 3.97Å; T1888-I1962 HydrophobicContact CG2-CD1 3.37Å; I1955-I1962 HydrophobicContact CB-CD1 3.83Å; I1955-I1962 HydrophobicContact CB-CG1 3.86Å; I1955-I1962 HydrophobicContact CD1-CD1 4.35Å; I1955-I1962 HydrophobicContact CG2-CD1 3.5Å; I1955-I1962 HydrophobicContact CG2-CG1 3.83Å; I1955-I1962 HydrophobicContact CG2-CG2 4.49Å; I1955-I1962 PolarHBondContact O-N 3.23Å; W1957-I1962 HydrophobicContact CB-CG2 3.7Å; Q1960-I1962 PolarHBondContact O-N 3.4Å; I1962-G1964 PolarHBondContact O-N 3.07Å; I1962-S1965 VanDerWaalsContact O-CB 3.29Å; I1962-S1965 WeakPolarHBondContact O-CB 3.07Å; I1962-S1965 PolarHBondContact O-N 2.77Å; I1962-S1965 VanDerWaalsContact O-N 3.16Å; I1962-F1967 HydrophobicContact CD1-CE2 4.15Å; I1962-F1967 HydrophobicContact CD1-CZ 4.33Å; I1962-F1967 HydrophobicContact CG1-CE2 4.39Å |
| 1963 | R | 83.7 | Confident | 83.7 | Confident | 207 Ų | 207 | 65.7 Ų | 65.7 | 78% | 0.781 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 120.4 | 177.4 | -174 | 179.5 | -177.6 | 179 | -0 | 111.1 | ||
| 1964 | G | 82.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -10.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1962 P1966 | I1962-G1964 PolarHBondContact O-N 3.07Å; G1964-P1966 CarbonylContact O-C 3.52Å |
| 1965 | S | 88.6 | Confident | 81.2 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 137.1 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | I1955 I1962 | I1955-S1965 PolarHBondContact N-OG 2.85Å; I1955-S1965 VanDerWaalsContact O-CB 3.22Å; I1955-S1965 WeakPolarHBondContact O-CB 3.47Å; I1955-S1965 PolarHBondContact O-OG 2.94Å; I1962-S1965 VanDerWaalsContact O-CB 3.29Å; I1962-S1965 WeakPolarHBondContact O-CB 3.07Å; I1962-S1965 PolarHBondContact O-N 2.77Å; I1962-S1965 VanDerWaalsContact O-N 3.16Å |
| 1966 | P | 87.4 | Confident | 80.3 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | S | Bend | cis | -83.6 | 140.4 | -3.9 | 34.3 | -34.7 | 0 | 0 | 0 | 113.1 | I1953 E1954 G1964 | I1953-P1966 CarbonylContact O-C 3.31Å; I1953-P1966 VanDerWaalsContact O-CA 3.28Å; I1953-P1966 WeakPolarHBondContact O-CA 3.4Å; E1954-P1966 HydrophobicContact CG-CB 3.98Å; G1964-P1966 CarbonylContact O-C 3.52Å |
| 1967 | F | 90.2 | Very high | 80 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 138.4 | 179 | -59.2 | -93.8 | 0 | 0 | 0 | 110.7 | T1888 L1893 S1952 I1953 I1955 I1962 | T1888-F1967 VanDerWaalsContact OG1-CZ 3.29Å; T1888-F1967 WeakPolarHBondContact OG1-CZ 3.39Å; L1893-F1967 HydrophobicContact CB-CD1 4.48Å; L1893-F1967 HydrophobicContact CD2-CB 4.19Å; L1893-F1967 HydrophobicContact CD2-CD1 4.28Å; L1893-F1967 HydrophobicContact CD2-CD2 4.01Å; L1893-F1967 HydrophobicContact CD2-CG 3.9Å; S1952-F1967 CarbonylContact C-O 3.47Å; S1952-F1967 WeakPolarHBondContact CA-O 3.35Å; I1953-F1967 PolarHBondContact N-O 3.22Å; I1953-F1967 PolarHBondContact O-N 3.44Å; I1955-F1967 HydrophobicContact CB-CE2 4.42Å; I1955-F1967 HydrophobicContact CD1-CD2 3.87Å; I1955-F1967 HydrophobicContact CD1-CE2 3.73Å; I1955-F1967 HydrophobicContact CG1-CD2 4.18Å; I1955-F1967 HydrophobicContact CG1-CE2 4.16Å; I1962-F1967 HydrophobicContact CD1-CE2 4.15Å; I1962-F1967 HydrophobicContact CD1-CZ 4.33Å; I1962-F1967 HydrophobicContact CG1-CE2 4.39Å |
| 1968 | R | 88.3 | Confident | 80 | Confident | 208 Ų | 208 | 72.9 Ų | 72.9 | 79% | 0.785 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.3 | 177.6 | -70.6 | -174.8 | -179.6 | 177.9 | 0.5 | 110.9 | Y1951 | Y1951-R1968 WeakPolarHBondContact O-CA 3.48Å |
| 1969 | V | 89.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.9 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | G1892 K1894 A1896 M1920 Y1943 S1950 Y1951 I1953 V1971 | G1892-V1969 WeakPolarHBondContact O-CG2 3.49Å; K1894-V1969 CarbonylContact O-C 3.59Å; K1894-V1969 WeakPolarHBondContact O-CA 3.31Å; A1896-V1969 HydrophobicContact CB-CG1 4.37Å; M1920-V1969 HydrophobicContact CE-CB 4.19Å; M1920-V1969 HydrophobicContact CE-CG1 4.11Å; M1920-V1969 HydrophobicContact CE-CG2 4.49Å; Y1943-V1969 WeakPolarHBondContact OH-CG1 3.46Å; S1950-V1969 WeakPolarHBondContact CA-O 3.23Å; S1950-V1969 PolarHBondContact OG-O 3.43Å; Y1951-V1969 PolarHBondContact N-O 2.96Å; Y1951-V1969 PolarHBondContact O-N 3.1Å; I1953-V1969 HydrophobicContact CD1-CG2 3.64Å; I1953-V1969 HydrophobicContact CG1-CG2 3.95Å; V1969-V1971 HydrophobicContact CG1-CG2 4.1Å |
| 1970 | Q | 85 | Confident | 81.2 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.4 | 168.8 | -174.5 | 60.6 | 25.2 | 0 | 0 | 110.5 | K1894 E1895 A1896 M1972 | K1894-Q1970 PolarHBondContact O-N 2.63Å; E1895-Q1970 WeakPolarHBondContact CA-O 3.44Å; A1896-Q1970 PolarHBondContact N-O 3.16Å; A1896-Q1970 VanDerWaalsContact N-O 3.13Å; Q1970-M1972 HydrophobicContact CG-SD 4.23Å |
| 1971 | V | 83 | Confident | 81.7 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.3 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 110 | A1896 T1898 M1920 A1945 A1948 G1949 Y1951 V1969 | A1896-V1971 HydrophobicContact CB-CG2 4.32Å; A1896-V1971 CarbonylContact O-C 3.54Å; A1896-V1971 WeakPolarHBondContact O-CA 3.23Å; T1898-V1971 HydrophobicContact CG2-CG1 4.12Å; M1920-V1971 HydrophobicContact CE-CG2 4.37Å; A1945-V1971 HydrophobicContact CB-CB 4.33Å; A1945-V1971 HydrophobicContact CB-CG1 3.61Å; A1945-V1971 HydrophobicContact CB-CG2 3.75Å; A1948-V1971 WeakPolarHBondContact CA-O 3.47Å; A1948-V1971 WeakPolarHBondContact CB-O 3.06Å; G1949-V1971 PolarHBondContact N-O 2.98Å; G1949-V1971 WeakPolarHBondContact O-CB 3.38Å; G1949-V1971 PolarHBondContact O-N 2.96Å; Y1951-V1971 HydrophobicContact CD2-CB 4.23Å; Y1951-V1971 HydrophobicContact CD2-CG2 3.44Å; Y1951-V1971 VanDerWaalsContact CD2-CG2 3.44Å; Y1951-V1971 HydrophobicContact CE2-CB 4.16Å; Y1951-V1971 HydrophobicContact CE2-CG2 3.7Å; Y1951-V1971 HydrophobicContact CG-CG2 4.35Å; V1969-V1971 HydrophobicContact CG1-CG2 4.1Å |
| 1972 | M | 78.7 | Confident | 81.9 | Confident | 97 Ų | 97 | 65 Ų | 65 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 170.6 | -179 | -62.5 | -63.3 | -79.9 | 0 | 0 | 112 | A1896 C1897 T1898 Q1970 | A1896-M1972 PolarHBondContact O-N 3.1Å; C1897-M1972 CarbonylContact C-O 3.54Å; C1897-M1972 WeakPolarHBondContact CA-O 3.31Å; T1898-M1972 PolarHBondContact N-O 2.95Å; Q1970-M1972 HydrophobicContact CG-SD 4.23Å |
| 1973 | H | 69.8 | Low | 81.6 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 67% | 0.667 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 144.9 | 175.2 | -61.4 | 101.9 | 0 | 0 | 0 | 111.6 | A1948 | A1948-H1973 WeakPolarHBondContact CB-NE2 3.17Š|
| 1974 | S | 63.8 | Low | 81.3 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 139 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | T1898 | T1898-S1974 PolarHBondContact OG1-N 2.87Š|
| 1975 | G | 65 | Low | 81 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | trans | -73.8 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | A2005 L2007 N2052 | G1975-A2005 CarbonylContact C-O 3.6Å; G1975-A2005 WeakPolarHBondContact CA-O 3.39Å; G1975-L2007 PolarHBondContact N-O 2.9Å; G1975-N2052 PolarHBondContact N-ND2 2.98Å; G1975-N2052 PolarHBondContact O-ND2 3.16Å | ||
| 1976 | N | 71.7 | Confident | 80.3 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 35% | 0.347 | S | S | . | . | trans | -105.8 | 127.6 | -172.2 | 179.2 | 9.5 | 0 | 0 | 0 | 113.4 | D1978 A2005 | N1976-D1978 PolarHBondContact O-N 2.82Å; N1976-D1978 PolarHBondContact OD1-N 2.83Å; N1976-D1978 VanDerWaalsContact OD1-N 3.1Å; N1976-A2005 PolarHBondContact N-O 2.94Å; N1976-A2005 VanDerWaalsContact O-CB 3.3Å; N1976-A2005 WeakPolarHBondContact O-CB 3.48Å | ||
| 1977 | A | 77.9 | Confident | 79.9 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -65.8 | -28.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | H1979 V1980 F2051 E2054 P2057 | A1977-H1979 PolarHBondContact O-N 3.12Å; A1977-V1980 PolarHBondContact O-N 3.2Å; A1977-V1980 VanDerWaalsContact O-N 3.14Å; A1977-F2051 HydrophobicContact CB-CB 3.92Å; A1977-F2051 HydrophobicContact CB-CD1 4.39Å; A1977-E2054 HydrophobicContact CB-CB 3.93Å; A1977-P2057 WeakPolarHBondContact O-CD 3.43Å |
| 1978 | D | 82.9 | Confident | 79 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -62.8 | -12.3 | -178.4 | -86 | -28.7 | 0 | 0 | 0 | 114.4 | N1976 | N1976-D1978 PolarHBondContact O-N 2.82Å; N1976-D1978 PolarHBondContact OD1-N 2.83Å; N1976-D1978 VanDerWaalsContact OD1-N 3.1Å |
| 1979 | H | 84.7 | Confident | 78.1 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -105.3 | 6.2 | -179 | -61.2 | -22.9 | 0 | 0 | 0 | 113.8 | A1977 K2004 A2005 | A1977-H1979 PolarHBondContact O-N 3.12Å; H1979-K2004 HydrophobicContact CB-CB 3.96Å; H1979-K2004 VanDerWaalsContact CB-O 3.31Å; H1979-K2004 WeakPolarHBondContact CB-O 3.39Å; H1979-K2004 PolarHBondContact CD2-O 2.73Å; H1979-A2005 HydrophobicContact CB-CB 4.34Å |
| 1980 | V | 83.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | trans | -88.3 | 125 | 172.5 | -178 | 0 | 0 | 0 | 0 | 110.6 | A1977 I2000 D2001 A2002 A2005 F2051 V2056 | A1977-V1980 PolarHBondContact O-N 3.2Å; A1977-V1980 VanDerWaalsContact O-N 3.14Å; V1980-I2000 HydrophobicContact CG1-CG2 3.39Å; V1980-D2001 CarbonylContact C-O 3.54Å; V1980-D2001 WeakPolarHBondContact CA-O 3.3Å; V1980-A2002 HydrophobicContact CG1-CB 4.29Å; V1980-A2002 HydrophobicContact CG2-CB 4.01Å; V1980-A2005 HydrophobicContact CG2-CB 3.55Å; V1980-F2051 HydrophobicContact CG2-CB 3.88Å; V1980-F2051 HydrophobicContact CG2-CD1 4.22Å; V1980-F2051 HydrophobicContact CG2-CD2 3.95Å; V1980-F2051 HydrophobicContact CG2-CE2 4.49Å; V1980-F2051 HydrophobicContact CG2-CG 3.77Å; V1980-V2056 HydrophobicContact CB-CB 4.16Å; V1980-V2056 HydrophobicContact CB-CG1 3.84Å; V1980-V2056 HydrophobicContact CG1-CB 4.38Å; V1980-V2056 HydrophobicContact CG1-CG1 3.98Å; V1980-V2056 HydrophobicContact CG2-CG1 4.33Å | ||
| 1981 | A | 84.8 | Confident | 77 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I2000 D2001 | A1981-I2000 CarbonylContact O-C 3.55Å; A1981-I2000 WeakPolarHBondContact O-CA 3.46Å; A1981-D2001 HydrophobicContact CB-CB 4.41Å; A1981-D2001 PolarHBondContact N-O 3.03Å; A1981-D2001 PolarHBondContact O-N 2.97Å |
| 1982 | V | 88 | Confident | 77 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.2 | 177 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | K1984 V1998 I2000 V2049 V2056 F2061 | V1982-K1984 WeakPolarHBondContact O-CE 3.34Å; V1982-K1984 WeakPolarHBondContact O-CG 2.98Å; V1982-K1984 PolarHBondContact O-N 3.14Å; V1982-V1998 HydrophobicContact CG1-CG1 3.72Å; V1982-I2000 HydrophobicContact CG1-CG1 4.44Å; V1982-I2000 HydrophobicContact CG2-CG1 4.3Å; V1982-I2000 HydrophobicContact CG2-CG2 4.29Å; V1982-V2049 HydrophobicContact CG2-CG1 4.43Å; V1982-V2056 HydrophobicContact CG2-CG2 3.65Å; V1982-F2061 HydrophobicContact CB-CE2 4.29Å; V1982-F2061 HydrophobicContact CB-CZ 4.02Å; V1982-F2061 HydrophobicContact CG1-CE2 4.09Å; V1982-F2061 HydrophobicContact CG1-CZ 4.21Å; V1982-F2061 HydrophobicContact CG2-CE2 4.14Å; V1982-F2061 HydrophobicContact CG2-CZ 4.08Å |
| 1983 | H | 86.2 | Confident | 76.6 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | trans | -82.6 | 104.3 | 179.3 | -67.4 | 82.8 | 0 | 0 | 0 | 111.6 | L1999 | H1983-L1999 HydrophobicContact CB-CB 4.29Å; H1983-L1999 WeakPolarHBondContact CB-O 3.44Å; H1983-L1999 PolarHBondContact N-O 2.79Å; H1983-L1999 PolarHBondContact ND1-O 2.77Å | ||
| 1984 | K | 76.7 | Confident | 76.8 | Confident | 87 Ų | 87 | 62 Ų | 62 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | trans | -88.9 | -5.3 | -160.2 | -46.7 | -175.4 | -178.7 | 171.1 | 0 | 115.1 | V1982 L1987 P2057 F2061 | V1982-K1984 WeakPolarHBondContact O-CE 3.34Å; V1982-K1984 WeakPolarHBondContact O-CG 2.98Å; V1982-K1984 PolarHBondContact O-N 3.14Å; K1984-L1987 HydrophobicContact CB-CD1 4.38Å; K1984-L1987 WeakPolarHBondContact O-CB 3.15Å; K1984-L1987 PolarHBondContact O-N 2.75Å; K1984-P2057 PolarHBondContact NZ-O 2.65Å; K1984-F2061 HydrophobicContact CD-CD1 4.24Å; K1984-F2061 HydrophobicContact CD-CE1 3.74Å; K1984-F2061 HydrophobicContact CG-CE1 4.47Å | ||
| 1985 | D | 76.5 | Confident | 77.7 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -69.7 | -36 | -171.9 | -72.3 | -64.9 | 0 | 0 | 0 | 114.2 | L1987 K1988 | D1985-L1987 PolarHBondContact O-N 2.77Å; D1985-K1988 PolarHBondContact O-N 2.86Å; D1985-K1988 WeakPolarHBondContact OD1-CE 3.24Å; D1985-K1988 IonicContact OD1-NZ 3.97Å; D1985-K1988 PolarHBondContact OD1-NZ 2.86Å |
| 1986 | A | 73.4 | Confident | 78.6 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -62 | -26.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | K1988 T1996 R1997 V1998 | A1986-K1988 PolarHBondContact O-N 2.87Å; A1986-T1996 HydrophobicContact CB-CG2 3.79Å; A1986-T1996 WeakPolarHBondContact O-CG2 3.25Å; A1986-R1997 WeakPolarHBondContact CB-O 3.17Å; A1986-V1998 HydrophobicContact CB-CG2 4.45Å |
| 1987 | L | 79.3 | Confident | 79.3 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -71.6 | -11.2 | -178.3 | -58.5 | -178.3 | 0 | 0 | 0 | 114.2 | K1984 D1985 V1998 L2037 L2047 F2061 I2063 | K1984-L1987 HydrophobicContact CB-CD1 4.38Å; K1984-L1987 WeakPolarHBondContact O-CB 3.15Å; K1984-L1987 PolarHBondContact O-N 2.75Å; D1985-L1987 PolarHBondContact O-N 2.77Å; L1987-V1998 HydrophobicContact CD2-CG2 3.54Å; L1987-V1998 HydrophobicContact CG-CG2 4.31Å; L1987-L2037 HydrophobicContact CD2-CD1 3.55Å; L1987-L2047 HydrophobicContact CD2-CD2 4.43Å; L1987-F2061 HydrophobicContact CD1-CB 4.2Å; L1987-F2061 HydrophobicContact CD1-CG 4.19Å; L1987-I2063 HydrophobicContact CB-CG1 4.26Å; L1987-I2063 HydrophobicContact CD1-CD1 4.41Å; L1987-I2063 HydrophobicContact CD1-CG1 4.46Å; L1987-I2063 HydrophobicContact CD2-CD1 3.76Å; L1987-I2063 HydrophobicContact CD2-CG1 4.23Å |
| 1988 | K | 71.6 | Confident | 79.8 | Confident | 128 Ų | 128 | 68 Ų | 68 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -77.2 | -27.1 | -173.9 | -66.8 | 170.9 | 178.9 | 170.5 | 0 | 113.4 | D1985 A1986 | D1985-K1988 PolarHBondContact O-N 2.86Å; D1985-K1988 WeakPolarHBondContact OD1-CE 3.24Å; D1985-K1988 IonicContact OD1-NZ 3.97Å; D1985-K1988 PolarHBondContact OD1-NZ 2.86Å; A1986-K1988 PolarHBondContact O-N 2.87Å |
| 1989 | N | 68.3 | Low | 80 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -130.9 | 43.3 | -168.5 | -66.7 | -33.2 | 0 | 0 | 0 | 112.4 | ||
| 1990 | C | 75.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 138 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | I2063 V2065 S2066 | C1990-I2063 HydrophobicContact CB-CG2 3.98Å; C1990-V2065 HydrophobicContact CB-CG2 3.91Å; C1990-V2065 WeakPolarHBondContact O-CA 3.4Å; C1990-S2066 PolarHBondContact O-N 2.96Å; C1990-S2066 PolarHBondContact O-OG 3.02Å |
| 1991 | V | 76.5 | Confident | 80.5 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.6 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | G1993 K1994 S2066 Q2068 | V1991-G1993 PolarHBondContact O-N 3.16Å; V1991-K1994 HydrophobicContact CB-CB 4.18Å; V1991-K1994 PolarHBondContact O-N 2.84Å; V1991-S2066 WeakPolarHBondContact CA-O 3.4Å; V1991-Q2068 HydrophobicContact CG1-CB 4.42Å; V1991-Q2068 HydrophobicContact CG1-CG 3.89Å |
| 1992 | I | 82 | Confident | 80.4 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 136.2 | 178.1 | -164.3 | 178.2 | 0 | 0 | 0 | 111.3 | K1994 T2042 V2065 S2066 Q2068 | I1992-K1994 PolarHBondContact O-N 3.16Å; I1992-T2042 HydrophobicContact CB-CG2 4.4Å; I1992-T2042 HydrophobicContact CD1-CG2 4.32Å; I1992-V2065 HydrophobicContact CB-CG1 4.34Å; I1992-S2066 PolarHBondContact N-O 3.39Å; I1992-Q2068 HydrophobicContact CG2-CG 3.91Å; I1992-Q2068 WeakPolarHBondContact O-CG 3.38Å; I1992-Q2068 PolarHBondContact O-NE2 3.45Å |
| 1993 | G | 69.9 | Low | 80.2 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -10.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | V1991 P2039 | V1991-G1993 PolarHBondContact O-N 3.16Å; G1993-P2039 PolarHBondContact N-O 2.85Å |
| 1994 | K | 75.6 | Confident | 79.9 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | trans | -90.3 | 124.4 | 176.4 | -170.4 | 173 | -178.3 | 175 | 0 | 110.7 | V1991 I1992 T1996 | V1991-K1994 HydrophobicContact CB-CB 4.18Å; V1991-K1994 PolarHBondContact O-N 2.84Å; I1992-K1994 PolarHBondContact O-N 3.16Å; K1994-T1996 PolarHBondContact O-N 3.41Å | ||
| 1995 | S | 82.8 | Confident | 79.6 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | trans | -66.6 | 121.3 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | L2037 K2038 | S1995-L2037 CarbonylContact C-O 3.49Å; S1995-L2037 WeakPolarHBondContact CA-O 3.3Å; S1995-K2038 VanDerWaalsContact OG-CE 3.29Å; S1995-K2038 WeakPolarHBondContact OG-CE 3.44Å; S1995-K2038 WeakPolarHBondContact OG-CG 3.39Å | ||
| 1996 | T | 84 | Confident | 79.2 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.8 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | A1986 K1994 I2036 L2037 | A1986-T1996 HydrophobicContact CB-CG2 3.79Å; A1986-T1996 WeakPolarHBondContact O-CG2 3.25Å; K1994-T1996 PolarHBondContact O-N 3.41Å; T1996-I2036 WeakPolarHBondContact O-CA 3.49Å; T1996-L2037 PolarHBondContact N-O 3.34Å; T1996-L2037 PolarHBondContact O-N 2.75Å |
| 1997 | R | 86 | Confident | 78.8 | Confident | 183 Ų | 183 | 65.2 Ų | 65.2 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.2 | 176.1 | -65 | -173.5 | 176.7 | 172.5 | -2.6 | 111 | A1986 T2034 L2035 I2036 | A1986-R1997 WeakPolarHBondContact CB-O 3.17Å; R1997-T2034 HydrophobicContact CB-CG2 4.47Å; R1997-T2034 HydrophobicContact CG-CG2 4.44Å; R1997-L2035 CarbonylContact C-O 3.59Å; R1997-L2035 WeakPolarHBondContact CA-O 3.38Å; R1997-I2036 HydrophobicContact CG-CG1 4.31Å; R1997-I2036 HydrophobicContact CG-CG2 4.45Å |
| 1998 | V | 87.7 | Confident | 78.3 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120.3 | -176 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | V1982 A1986 L1987 L2035 L2037 | V1982-V1998 HydrophobicContact CG1-CG1 3.72Å; A1986-V1998 HydrophobicContact CB-CG2 4.45Å; L1987-V1998 HydrophobicContact CD2-CG2 3.54Å; L1987-V1998 HydrophobicContact CG-CG2 4.31Å; V1998-L2035 HydrophobicContact CB-CB 4.23Å; V1998-L2035 PolarHBondContact N-O 2.62Å; V1998-L2035 PolarHBondContact O-N 2.82Å; V1998-L2037 HydrophobicContact CG2-CD1 4.07Å; V1998-L2037 HydrophobicContact CG2-CG 4.36Å |
| 1999 | L | 87.5 | Confident | 78.5 | Confident | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.6 | -179.3 | -171.8 | 68.9 | 0 | 0 | 0 | 110.8 | H1983 F2032 | H1983-L1999 HydrophobicContact CB-CB 4.29Å; H1983-L1999 WeakPolarHBondContact CB-O 3.44Å; H1983-L1999 PolarHBondContact N-O 2.79Å; H1983-L1999 PolarHBondContact ND1-O 2.77Å; L1999-F2032 HydrophobicContact CD1-CB 3.97Å; L1999-F2032 HydrophobicContact CD1-CD1 3.92Å; L1999-F2032 HydrophobicContact CD1-CG 4.2Å; L1999-F2032 HydrophobicContact CD2-CD1 3.85Å; L1999-F2032 HydrophobicContact CD2-CE1 3.86Å; L1999-F2032 HydrophobicContact CG-CD1 3.81Å; L1999-F2032 HydrophobicContact CG-CE1 4.28Å |
| 2000 | I | 90.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.6 | 176.2 | -52.4 | 172.4 | 0 | 0 | 0 | 108.1 | V1980 A1981 V1982 I2010 L2025 F2032 Y2033 L2035 V2049 | V1980-I2000 HydrophobicContact CG1-CG2 3.39Å; A1981-I2000 CarbonylContact O-C 3.55Å; A1981-I2000 WeakPolarHBondContact O-CA 3.46Å; V1982-I2000 HydrophobicContact CG1-CG1 4.44Å; V1982-I2000 HydrophobicContact CG2-CG1 4.3Å; V1982-I2000 HydrophobicContact CG2-CG2 4.29Å; I2000-I2010 HydrophobicContact CD1-CG2 4.34Å; I2000-I2010 HydrophobicContact CG2-CD1 4.02Å; I2000-L2025 HydrophobicContact CD1-CD1 4.13Å; I2000-F2032 CarbonylContact O-C 3.44Å; I2000-F2032 VanDerWaalsContact O-CA 3.28Å; I2000-F2032 WeakPolarHBondContact O-CA 3.37Å; I2000-Y2033 PolarHBondContact N-O 2.8Å; I2000-Y2033 PolarHBondContact O-N 2.88Å; I2000-L2035 HydrophobicContact CD1-CB 4Å; I2000-L2035 HydrophobicContact CD1-CD2 4.19Å; I2000-V2049 HydrophobicContact CD1-CG1 4.04Å |
| 2001 | D | 87.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.2 | 174.6 | -175.7 | -8.6 | 0 | 0 | 0 | 109 | V1980 A1981 R2003 F2032 | V1980-D2001 CarbonylContact C-O 3.54Å; V1980-D2001 WeakPolarHBondContact CA-O 3.3Å; A1981-D2001 HydrophobicContact CB-CB 4.41Å; A1981-D2001 PolarHBondContact N-O 3.03Å; A1981-D2001 PolarHBondContact O-N 2.97Å; D2001-R2003 WeakPolarHBondContact OD1-CB 3.23Å; D2001-R2003 WeakPolarHBondContact OD1-CG 3.5Å; D2001-R2003 IonicContact OD1-CZ 2.73Å; D2001-R2003 PolarHBondContact OD1-N 3.1Å; D2001-R2003 VanDerWaalsContact OD1-N 3.13Å; D2001-R2003 IonicContact OD1-NE 2.66Å; D2001-R2003 PolarHBondContact OD1-NE 3.15Å; D2001-R2003 IonicContact OD1-NH2 2.7Å; D2001-R2003 IonicContact OD2-CZ 2.74Å; D2001-R2003 IonicContact OD2-NE 3.65Å; D2001-R2003 PolarHBondContact OD2-NE 3.45Å; D2001-R2003 IonicContact OD2-NH2 2.63Å; D2001-R2003 PolarHBondContact OD2-NH2 2.89Å; D2001-F2032 HydrophobicContact CB-CD1 3.76Å; D2001-F2032 HydrophobicContact CB-CE1 3.59Å |
| 2002 | A | 83.8 | Confident | 80.2 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | trans | -112.9 | 6.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1980 K2004 A2005 I2010 G2031 Y2033 | V1980-A2002 HydrophobicContact CG1-CB 4.29Å; V1980-A2002 HydrophobicContact CG2-CB 4.01Å; A2002-K2004 PolarHBondContact O-N 2.98Å; A2002-A2005 WeakPolarHBondContact O-CB 3.34Å; A2002-A2005 PolarHBondContact O-N 2.8Å; A2002-I2010 HydrophobicContact CB-CD1 3.73Å; A2002-G2031 PolarHBondContact N-O 2.97Å; A2002-Y2033 HydrophobicContact CB-CD2 4.41Å; A2002-Y2033 HydrophobicContact CB-CE2 4.12Å | ||
| 2003 | R | 82.8 | Confident | 80.4 | Confident | 135 Ų | 135 | 60.4 Ų | 60.4 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -14.1 | -173.3 | -61 | 171.7 | -59.3 | 167.2 | 3.2 | 114.4 | D2001 D2030 F2032 | D2001-R2003 WeakPolarHBondContact OD1-CB 3.23Å; D2001-R2003 WeakPolarHBondContact OD1-CG 3.5Å; D2001-R2003 IonicContact OD1-CZ 2.73Å; D2001-R2003 PolarHBondContact OD1-N 3.1Å; D2001-R2003 VanDerWaalsContact OD1-N 3.13Å; D2001-R2003 IonicContact OD1-NE 2.66Å; D2001-R2003 PolarHBondContact OD1-NE 3.15Å; D2001-R2003 IonicContact OD1-NH2 2.7Å; D2001-R2003 IonicContact OD2-CZ 2.74Å; D2001-R2003 IonicContact OD2-NE 3.65Å; D2001-R2003 PolarHBondContact OD2-NE 3.45Å; D2001-R2003 IonicContact OD2-NH2 2.63Å; D2001-R2003 PolarHBondContact OD2-NH2 2.89Å; R2003-D2030 VanDerWaalsContact CD-O 3.27Å; R2003-D2030 WeakPolarHBondContact CD-O 3.41Å; R2003-D2030 WeakPolarHBondContact CG-O 3.44Å; R2003-F2032 VanDerWaalsContact NH1-CE2 3.33Å |
| 2004 | K | 78.9 | Confident | 81.3 | Confident | 165 Ų | 165 | 58 Ų | 58 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.8 | 177.1 | -64.6 | 178.1 | -177.8 | 172.8 | 0 | 114.2 | H1979 A2002 | H1979-K2004 HydrophobicContact CB-CB 3.96Å; H1979-K2004 VanDerWaalsContact CB-O 3.31Å; H1979-K2004 WeakPolarHBondContact CB-O 3.39Å; H1979-K2004 PolarHBondContact CD2-O 2.73Å; A2002-K2004 PolarHBondContact O-N 2.98Å |
| 2005 | A | 72.1 | Confident | 81.7 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -22.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1975 N1976 H1979 V1980 A2002 F2051 | G1975-A2005 CarbonylContact C-O 3.6Å; G1975-A2005 WeakPolarHBondContact CA-O 3.39Å; N1976-A2005 PolarHBondContact N-O 2.94Å; N1976-A2005 VanDerWaalsContact O-CB 3.3Å; N1976-A2005 WeakPolarHBondContact O-CB 3.48Å; H1979-A2005 HydrophobicContact CB-CB 4.34Å; V1980-A2005 HydrophobicContact CG2-CB 3.55Å; A2002-A2005 WeakPolarHBondContact O-CB 3.34Å; A2002-A2005 PolarHBondContact O-N 2.8Å; A2005-F2051 HydrophobicContact CB-CD1 4.11Å; A2005-F2051 HydrophobicContact CB-CE1 3.54Å; A2005-F2051 HydrophobicContact CB-CE2 4.22Å; A2005-F2051 HydrophobicContact CB-CZ 3.59Å |
| 2006 | G | 68.3 | Low | 81.7 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | trans | 89.2 | -163.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2007 | L | 64.2 | Low | 81.3 | Confident | 112 Ų | 112 | 54 Ų | 54 | 59% | 0.586 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -80.5 | 134.8 | 178.9 | -62.7 | 173.5 | 0 | 0 | 0 | 110.9 | G1975 | G1975-L2007 PolarHBondContact N-O 2.9Š|
| 2008 | G | 67.9 | Low | 80.5 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | trans | 173.3 | 164.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F2051 N2052 | G2008-F2051 VanDerWaalsContact C-CE2 3.5Å; G2008-F2051 VanDerWaalsContact CA-CZ 3.49Å; G2008-F2051 WeakPolarHBondContact O-CE2 3.37Å; G2008-N2052 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 2009 | E | 76.3 | Confident | 79.3 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | trans | -87.6 | 127.5 | -179.1 | -174 | -177.9 | -152.2 | 0 | 0 | 110.9 | H441 T2011 F2051 N2052 | H441-E2009 IonicContact CE1-OE1 3.17Å; H441-E2009 PolarHBondContact CE1-OE1 2.8Å; H441-E2009 IonicContact CG-OE1 2.6Å; H441-E2009 IonicContact CG-OE2 3.87Å; H441-E2009 IonicContact ND1-OE1 2.75Å; H441-E2009 PolarHBondContact ND1-OE1 2.79Å; H441-E2009 IonicContact ND1-OE2 2.66Å; E2009-T2011 HydrophobicContact CG-CG2 3.96Å; E2009-F2051 CarbonylContact O-C 3.51Å; E2009-F2051 VanDerWaalsContact O-CA 3.32Å; E2009-F2051 WeakPolarHBondContact O-CA 3.36Å; E2009-N2052 PolarHBondContact N-OD1 2.99Å; E2009-N2052 PolarHBondContact O-N 3.18Å | ||
| 2010 | I | 84.5 | Confident | 78.1 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132.3 | 165.9 | -63 | 178.3 | 0 | 0 | 0 | 109.5 | I2000 A2002 L2025 Y2033 V2049 K2050 F2051 | I2000-I2010 HydrophobicContact CD1-CG2 4.34Å; I2000-I2010 HydrophobicContact CG2-CD1 4.02Å; A2002-I2010 HydrophobicContact CB-CD1 3.73Å; I2010-L2025 HydrophobicContact CB-CD2 4.04Å; I2010-L2025 HydrophobicContact CG2-CD1 4.48Å; I2010-L2025 HydrophobicContact CG2-CD2 3.75Å; I2010-L2025 WeakPolarHBondContact O-CD2 3.2Å; I2010-Y2033 HydrophobicContact CD1-CD1 4.07Å; I2010-Y2033 HydrophobicContact CD1-CD2 3.29Å; I2010-Y2033 HydrophobicContact CD1-CE1 4.2Å; I2010-Y2033 HydrophobicContact CD1-CE2 3.5Å; I2010-Y2033 VanDerWaalsContact CD1-CE2 3.5Å; I2010-Y2033 HydrophobicContact CD1-CG 3.63Å; I2010-Y2033 HydrophobicContact CG1-CE2 4.39Å; I2010-V2049 HydrophobicContact CG2-CG1 4.19Å; I2010-K2050 WeakPolarHBondContact CA-O 3.39Å; I2010-F2051 HydrophobicContact CG1-CD2 3.71Å; I2010-F2051 HydrophobicContact CG1-CE2 4.28Å |
| 2011 | T | 84.4 | Confident | 77.3 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.6 | 178.2 | 70.4 | 0 | 0 | 0 | 0 | 109.2 | H441 E2009 V2049 K2050 | H441-T2011 VanDerWaalsContact CE1-CG2 3.49Å; H441-T2011 WeakPolarHBondContact CE1-CG2 3.3Å; H441-T2011 WeakPolarHBondContact NE2-CB 3.24Å; H441-T2011 VanDerWaalsContact NE2-CG2 3.27Å; H441-T2011 WeakPolarHBondContact NE2-CG2 3.35Å; E2009-T2011 HydrophobicContact CG-CG2 3.96Å; T2011-V2049 CarbonylContact O-C 3.52Å; T2011-V2049 WeakPolarHBondContact O-CA 3.38Å; T2011-K2050 PolarHBondContact N-O 2.98Å; T2011-K2050 PolarHBondContact O-N 3.18Å; T2011-K2050 WeakPolarHBondContact OG1-CB 3.39Å; T2011-K2050 PolarHBondContact OG1-O 3.16Å |
| 2012 | A | 87.5 | Confident | 76.8 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2035 S2048 V2049 | A2012-L2035 HydrophobicContact CB-CD1 3.71Å; A2012-L2035 HydrophobicContact CB-CD2 4.04Å; A2012-S2048 WeakPolarHBondContact CA-O 3.38Å; A2012-V2049 HydrophobicContact CB-CG2 4.34Å |
| 2013 | K | 86.1 | Confident | 76.8 | Confident | 114 Ų | 114 | 65.6 Ų | 65.6 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 110.4 | -179.2 | -177.8 | 174.4 | -179.9 | 173.1 | 0 | 111.2 | L439 L2047 S2048 | L439-K2013 HydrophobicContact CD2-CB 4.16Å; L439-K2013 HydrophobicContact CD2-CD 4Å; K2013-L2047 WeakPolarHBondContact O-CA 3.28Å; K2013-S2048 PolarHBondContact N-O 3.16Å; K2013-S2048 PolarHBondContact O-N 2.82Å |
| 2014 | F | 90.1 | Very high | 76.9 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.3 | 176.7 | -168.8 | -142.7 | 0 | 0 | 0 | 111.2 | A2021 L2037 P2039 H2045 L2047 I2063 | F2014-A2021 HydrophobicContact CB-CB 4.47Å; F2014-A2021 HydrophobicContact CD1-CB 3.35Å; F2014-A2021 HydrophobicContact CE1-CB 3.65Å; F2014-A2021 HydrophobicContact CG-CB 3.91Å; F2014-A2021 HydrophobicContact CZ-CB 4.43Å; F2014-A2021 PolarHBondContact O-N 2.98Å; F2014-A2021 VanDerWaalsContact O-O 3.05Å; F2014-L2037 HydrophobicContact CB-CD2 4.17Å; F2014-L2037 HydrophobicContact CD1-CB 4.11Å; F2014-L2037 HydrophobicContact CD1-CD2 4Å; F2014-L2037 HydrophobicContact CD2-CD2 4.38Å; F2014-L2037 HydrophobicContact CE1-CB 3.83Å; F2014-L2037 HydrophobicContact CE1-CD2 4.46Å; F2014-L2037 HydrophobicContact CE2-CD1 4.3Å; F2014-L2037 HydrophobicContact CG-CD2 3.97Å; F2014-L2037 HydrophobicContact CZ-CB 4.28Å; F2014-L2037 HydrophobicContact CZ-CD1 4.31Å; F2014-P2039 HydrophobicContact CE1-CB 3.84Å; F2014-P2039 HydrophobicContact CE1-CG 4.46Å; F2014-P2039 HydrophobicContact CZ-CB 4.05Å; F2014-H2045 HydrophobicContact CD2-CB 4.3Å; F2014-H2045 AromaticContact CE1-CD2 3.96Å; F2014-H2045 HydrophobicContact CE2-CB 3.49Å; F2014-H2045 VanDerWaalsContact CE2-CB 3.49Å; F2014-H2045 AromaticContact CE2-CD2 3.82Å; F2014-H2045 HydrophobicContact CZ-CB 3.93Å; F2014-H2045 AromaticContact CZ-CD2 3.5Å; F2014-H2045 VanDerWaalsContact CZ-CD2 3.5Å; F2014-H2045 WeakPolarHBondContact CZ-CD2 3.43Å; F2014-H2045 AromaticContact CZ-CG 3.96Å; F2014-L2047 HydrophobicContact CB-CD1 4.24Å; F2014-L2047 HydrophobicContact CD2-CB 4.03Å; F2014-I2063 HydrophobicContact CD2-CD1 4.26Å; F2014-I2063 HydrophobicContact CE2-CB 4.48Å; F2014-I2063 HydrophobicContact CE2-CD1 3.7Å |
| 2015 | T | 83.9 | Confident | 77.3 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 31% | 0.307 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.4 | -174.6 | -40.2 | 0 | 0 | 0 | 0 | 109.3 | H2045 V2046 | T2015-H2045 CarbonylContact O-C 3.51Å; T2015-H2045 VanDerWaalsContact O-CA 3.23Å; T2015-H2045 WeakPolarHBondContact O-CA 3.3Å; T2015-H2045 WeakPolarHBondContact O-CB 3.47Å; T2015-V2046 PolarHBondContact N-O 3.32Å; T2015-V2046 PolarHBondContact O-N 2.99Å |
| 2016 | G | 80.9 | Confident | 77.9 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | trans | -86.7 | 176.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | T2018 K2019 E2041 H2045 | G2016-T2018 VanDerWaalsContact C-N 3.29Å; G2016-T2018 PolarHBondContact O-N 3.37Å; G2016-K2019 VanDerWaalsContact CA-O 3.28Å; G2016-K2019 WeakPolarHBondContact CA-O 3.48Å; G2016-K2019 PolarHBondContact N-O 2.97Å; G2016-E2041 WeakPolarHBondContact CA-OE1 3.27Å; G2016-H2045 VanDerWaalsContact CA-CD2 3.44Å; G2016-H2045 WeakPolarHBondContact CA-CD2 3.42Å | ||
| 2017 | P | 75.5 | Confident | 78.5 | Confident | 69 Ų | 69 | 62 Ų | 62 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -64.5 | -22.2 | 178.3 | 25.4 | -35.4 | 0 | 0 | 0 | 115.4 | E2041 T2042 | P2017-E2041 WeakPolarHBondContact CD-OE1 3.39Å; P2017-E2041 HydrophobicContact CG-CG 4.23Å; P2017-T2042 VanDerWaalsContact CG-O 3.3Å; P2017-T2042 WeakPolarHBondContact CG-O 3.42Å |
| 2018 | T | 70 | Confident | 79.3 | Confident | 111 Ų | 111 | 60 Ų | 60 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -132.2 | -20.1 | 175.5 | 83.3 | 0 | 0 | 0 | 0 | 114.4 | G2016 E2041 | G2016-T2018 VanDerWaalsContact C-N 3.29Å; G2016-T2018 PolarHBondContact O-N 3.37Å; T2018-E2041 PolarHBondContact N-OE1 3Å; T2018-E2041 PolarHBondContact OG1-OE2 2.97Å |
| 2019 | K | 62.2 | Low | 79.2 | Confident | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -134.7 | 155.1 | -175.2 | -67.1 | 173.6 | -173.1 | -179.1 | 0 | 112 | G2016 A2021 E2041 | G2016-K2019 VanDerWaalsContact CA-O 3.28Å; G2016-K2019 WeakPolarHBondContact CA-O 3.48Å; G2016-K2019 PolarHBondContact N-O 2.97Å; K2019-A2021 PolarHBondContact O-N 3.34Å; K2019-E2041 PolarHBondContact N-OE1 2.81Å |
| 2020 | S | 63.3 | Low | 79 | Confident | 102 Ų | 102 | 69 Ų | 69 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | B | Isolated β-bridge | trans | -64.4 | 127.9 | 166.7 | 52 | 0 | 0 | 0 | 0 | 110.1 | ||
| 2021 | A | 72.3 | Confident | 78.4 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -96 | 146.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F2014 K2019 S2023 | F2014-A2021 HydrophobicContact CB-CB 4.47Å; F2014-A2021 HydrophobicContact CD1-CB 3.35Å; F2014-A2021 HydrophobicContact CE1-CB 3.65Å; F2014-A2021 HydrophobicContact CG-CB 3.91Å; F2014-A2021 HydrophobicContact CZ-CB 4.43Å; F2014-A2021 PolarHBondContact O-N 2.98Å; F2014-A2021 VanDerWaalsContact O-O 3.05Å; K2019-A2021 PolarHBondContact O-N 3.34Å; A2021-S2023 PolarHBondContact O-N 3.27Å |
| 2022 | K | 77.4 | Confident | 78.3 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.5 | -176.6 | -72.7 | -165.5 | 172.1 | -163.9 | 0 | 110.8 | R479 K2038 | R479-K2022 PolarHBondContact O-NZ 3.04Å; K2022-K2038 HydrophobicContact CB-CB 4Å; K2022-K2038 PolarHBondContact N-O 2.88Å; K2022-K2038 PolarHBondContact O-N 3.09Å |
| 2023 | S | 84.8 | Confident | 78.2 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.2 | 170.3 | 51.6 | 0 | 0 | 0 | 0 | 110.6 | A2021 I2036 | A2021-S2023 PolarHBondContact O-N 3.27Å; S2023-I2036 WeakPolarHBondContact CA-O 3.25Å |
| 2024 | E | 84.6 | Confident | 78.2 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 122.8 | -171 | 171.9 | -178.3 | -171.3 | 0 | 0 | 107.5 | L2035 I2036 K2038 | E2024-L2035 CarbonylContact O-C 3.53Å; E2024-I2036 HydrophobicContact CB-CB 4.3Å; E2024-I2036 PolarHBondContact N-O 2.71Å; E2024-I2036 PolarHBondContact O-N 3.24Å; E2024-K2038 IonicContact OE2-NZ 3.44Å; E2024-K2038 PolarHBondContact OE2-NZ 3.04Å |
| 2025 | L | 87.5 | Confident | 78.2 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | -177 | -175.3 | 70 | 0 | 0 | 0 | 108.9 | I2000 I2010 Y2033 L2035 | I2000-L2025 HydrophobicContact CD1-CD1 4.13Å; I2010-L2025 HydrophobicContact CB-CD2 4.04Å; I2010-L2025 HydrophobicContact CG2-CD1 4.48Å; I2010-L2025 HydrophobicContact CG2-CD2 3.75Å; I2010-L2025 WeakPolarHBondContact O-CD2 3.2Å; L2025-Y2033 HydrophobicContact CD2-CD1 4.42Å; L2025-Y2033 HydrophobicContact CG-CD1 4.44Å; L2025-L2035 HydrophobicContact CB-CD1 4.43Å; L2025-L2035 HydrophobicContact CD1-CB 3.9Å; L2025-L2035 HydrophobicContact CD1-CD1 4.24Å |
| 2026 | V | 84.6 | Confident | 78.4 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 34% | 0.339 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.1 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | Y2033 T2034 | V2026-Y2033 CarbonylContact O-C 3.57Å; V2026-Y2033 WeakPolarHBondContact O-CA 3.03Å; V2026-Y2033 WeakPolarHBondContact O-CB 3.4Å; V2026-T2034 PolarHBondContact N-O 2.66Å; V2026-T2034 PolarHBondContact O-N 2.81Å |
| 2027 | D | 81.4 | Confident | 78.8 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.5 | 166 | -168.6 | -30.8 | 0 | 0 | 0 | 107.5 | E2029 Y2033 | D2027-E2029 VanDerWaalsContact C-N 3.32Å; D2027-E2029 WeakPolarHBondContact OD1-CA 3.21Å; D2027-E2029 PolarHBondContact OD1-N 3.07Å; D2027-Y2033 HydrophobicContact CB-CD1 3.86Å; D2027-Y2033 HydrophobicContact CB-CE1 3.77Å; D2027-Y2033 VanDerWaalsContact CG-CE1 3.45Å; D2027-Y2033 WeakPolarHBondContact OD2-CE1 3.42Å; D2027-Y2033 PolarHBondContact OD2-OH 3.37Å |
| 2028 | D | 79.6 | Confident | 79.3 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | trans | -95.4 | 15.3 | -177.8 | -64.1 | -65.4 | 0 | 0 | 0 | 111.9 | D2030 F2032 T2034 | D2028-D2030 PolarHBondContact O-N 2.88Å; D2028-F2032 PolarHBondContact N-O 3.11Å; D2028-F2032 VanDerWaalsContact N-O 3.08Å; D2028-T2034 VanDerWaalsContact OD2-CB 3.3Å; D2028-T2034 WeakPolarHBondContact OD2-CB 3.49Å; D2028-T2034 PolarHBondContact OD2-N 3.01Å; D2028-T2034 PolarHBondContact OD2-OG1 3.16Å | ||
| 2029 | E | 65.9 | Low | 79.9 | Confident | 190 Ų | 190 | 60 Ų | 60 | 89% | 0.888 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 62.1 | -7.7 | 176.7 | -65.5 | -165.7 | 156.7 | 0 | 0 | 117.2 | D2027 | D2027-E2029 VanDerWaalsContact C-N 3.32Å; D2027-E2029 WeakPolarHBondContact OD1-CA 3.21Å; D2027-E2029 PolarHBondContact OD1-N 3.07Å |
| 2030 | D | 72.3 | Confident | 80.7 | Confident | 93 Ų | 93 | 57.1 Ų | 57.1 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -104.1 | 5.9 | 176.3 | 79.7 | -14.9 | 0 | 0 | 0 | 114.2 | R2003 D2028 F2032 | R2003-D2030 VanDerWaalsContact CD-O 3.27Å; R2003-D2030 WeakPolarHBondContact CD-O 3.41Å; R2003-D2030 WeakPolarHBondContact CG-O 3.44Å; D2028-D2030 PolarHBondContact O-N 2.88Å; D2030-F2032 WeakPolarHBondContact OD1-CB 3.27Å; D2030-F2032 VanDerWaalsContact OD1-CD2 3.3Å; D2030-F2032 WeakPolarHBondContact OD1-CD2 3.22Å; D2030-F2032 PolarHBondContact OD1-N 3.07Å; D2030-F2032 WeakPolarHBondContact OD2-CD2 3.47Å |
| 2031 | G | 71.2 | Confident | 81.5 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 87.2 | 4.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A2002 | A2002-G2031 PolarHBondContact N-O 2.97Š|
| 2032 | F | 83.5 | Confident | 81.8 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 154.6 | 151.7 | -70.8 | -78.6 | 0 | 0 | 0 | 111.4 | L1999 I2000 D2001 R2003 D2028 D2030 | L1999-F2032 HydrophobicContact CD1-CB 3.97Å; L1999-F2032 HydrophobicContact CD1-CD1 3.92Å; L1999-F2032 HydrophobicContact CD1-CG 4.2Å; L1999-F2032 HydrophobicContact CD2-CD1 3.85Å; L1999-F2032 HydrophobicContact CD2-CE1 3.86Å; L1999-F2032 HydrophobicContact CG-CD1 3.81Å; L1999-F2032 HydrophobicContact CG-CE1 4.28Å; I2000-F2032 CarbonylContact O-C 3.44Å; I2000-F2032 VanDerWaalsContact O-CA 3.28Å; I2000-F2032 WeakPolarHBondContact O-CA 3.37Å; D2001-F2032 HydrophobicContact CB-CD1 3.76Å; D2001-F2032 HydrophobicContact CB-CE1 3.59Å; R2003-F2032 VanDerWaalsContact NH1-CE2 3.33Å; D2028-F2032 PolarHBondContact N-O 3.11Å; D2028-F2032 VanDerWaalsContact N-O 3.08Å; D2030-F2032 WeakPolarHBondContact OD1-CB 3.27Å; D2030-F2032 VanDerWaalsContact OD1-CD2 3.3Å; D2030-F2032 WeakPolarHBondContact OD1-CD2 3.22Å; D2030-F2032 PolarHBondContact OD1-N 3.07Å; D2030-F2032 WeakPolarHBondContact OD2-CD2 3.47Å |
| 2033 | Y | 85.4 | Confident | 82 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.4 | 174.7 | -62.2 | -111.4 | 0 | 0 | 0 | 109.9 | I2000 A2002 I2010 L2025 V2026 D2027 | I2000-Y2033 PolarHBondContact N-O 2.8Å; I2000-Y2033 PolarHBondContact O-N 2.88Å; A2002-Y2033 HydrophobicContact CB-CD2 4.41Å; A2002-Y2033 HydrophobicContact CB-CE2 4.12Å; I2010-Y2033 HydrophobicContact CD1-CD1 4.07Å; I2010-Y2033 HydrophobicContact CD1-CD2 3.29Å; I2010-Y2033 HydrophobicContact CD1-CE1 4.2Å; I2010-Y2033 HydrophobicContact CD1-CE2 3.5Å; I2010-Y2033 VanDerWaalsContact CD1-CE2 3.5Å; I2010-Y2033 HydrophobicContact CD1-CG 3.63Å; I2010-Y2033 HydrophobicContact CG1-CE2 4.39Å; L2025-Y2033 HydrophobicContact CD2-CD1 4.42Å; L2025-Y2033 HydrophobicContact CG-CD1 4.44Å; V2026-Y2033 CarbonylContact O-C 3.57Å; V2026-Y2033 WeakPolarHBondContact O-CA 3.03Å; V2026-Y2033 WeakPolarHBondContact O-CB 3.4Å; D2027-Y2033 HydrophobicContact CB-CD1 3.86Å; D2027-Y2033 HydrophobicContact CB-CE1 3.77Å; D2027-Y2033 VanDerWaalsContact CG-CE1 3.45Å; D2027-Y2033 WeakPolarHBondContact OD2-CE1 3.42Å; D2027-Y2033 PolarHBondContact OD2-OH 3.37Å |
| 2034 | T | 86.8 | Confident | 81.9 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.8 | 178 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | R1997 V2026 D2028 I2036 | R1997-T2034 HydrophobicContact CB-CG2 4.47Å; R1997-T2034 HydrophobicContact CG-CG2 4.44Å; V2026-T2034 PolarHBondContact N-O 2.66Å; V2026-T2034 PolarHBondContact O-N 2.81Å; D2028-T2034 VanDerWaalsContact OD2-CB 3.3Å; D2028-T2034 WeakPolarHBondContact OD2-CB 3.49Å; D2028-T2034 PolarHBondContact OD2-N 3.01Å; D2028-T2034 PolarHBondContact OD2-OG1 3.16Å; T2034-I2036 HydrophobicContact CG2-CG1 4.21Å |
| 2035 | L | 88.8 | Confident | 82 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.7 | 174.9 | 175.2 | 63.4 | 0 | 0 | 0 | 110.7 | R1997 V1998 I2000 A2012 E2024 L2025 L2037 L2047 V2049 | R1997-L2035 CarbonylContact C-O 3.59Å; R1997-L2035 WeakPolarHBondContact CA-O 3.38Å; V1998-L2035 HydrophobicContact CB-CB 4.23Å; V1998-L2035 PolarHBondContact N-O 2.62Å; V1998-L2035 PolarHBondContact O-N 2.82Å; I2000-L2035 HydrophobicContact CD1-CB 4Å; I2000-L2035 HydrophobicContact CD1-CD2 4.19Å; A2012-L2035 HydrophobicContact CB-CD1 3.71Å; A2012-L2035 HydrophobicContact CB-CD2 4.04Å; E2024-L2035 CarbonylContact O-C 3.53Å; L2025-L2035 HydrophobicContact CB-CD1 4.43Å; L2025-L2035 HydrophobicContact CD1-CB 3.9Å; L2025-L2035 HydrophobicContact CD1-CD1 4.24Å; L2035-L2037 HydrophobicContact CD1-CD2 4.15Å; L2035-L2037 HydrophobicContact CD2-CD2 4.07Å; L2035-L2037 HydrophobicContact CG-CD2 3.9Å; L2035-L2047 HydrophobicContact CD2-CD1 4.04Å; L2035-L2047 HydrophobicContact CD2-CD2 3.87Å; L2035-V2049 HydrophobicContact CD2-CG2 4.08Å |
| 2036 | I | 89 | Confident | 82.1 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.5 | 179.2 | -42.7 | -175.5 | 0 | 0 | 0 | 109.6 | T1996 R1997 S2023 E2024 T2034 | T1996-I2036 WeakPolarHBondContact O-CA 3.49Å; R1997-I2036 HydrophobicContact CG-CG1 4.31Å; R1997-I2036 HydrophobicContact CG-CG2 4.45Å; S2023-I2036 WeakPolarHBondContact CA-O 3.25Å; E2024-I2036 HydrophobicContact CB-CB 4.3Å; E2024-I2036 PolarHBondContact N-O 2.71Å; E2024-I2036 PolarHBondContact O-N 3.24Å; T2034-I2036 HydrophobicContact CG2-CG1 4.21Å |
| 2037 | L | 88.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.8 | 177.6 | -52.9 | -179.8 | 0 | 0 | 0 | 110.6 | L1987 S1995 T1996 V1998 F2014 L2035 L2047 I2063 | L1987-L2037 HydrophobicContact CD2-CD1 3.55Å; S1995-L2037 CarbonylContact C-O 3.49Å; S1995-L2037 WeakPolarHBondContact CA-O 3.3Å; T1996-L2037 PolarHBondContact N-O 3.34Å; T1996-L2037 PolarHBondContact O-N 2.75Å; V1998-L2037 HydrophobicContact CG2-CD1 4.07Å; V1998-L2037 HydrophobicContact CG2-CG 4.36Å; F2014-L2037 HydrophobicContact CB-CD2 4.17Å; F2014-L2037 HydrophobicContact CD1-CB 4.11Å; F2014-L2037 HydrophobicContact CD1-CD2 4Å; F2014-L2037 HydrophobicContact CD2-CD2 4.38Å; F2014-L2037 HydrophobicContact CE1-CB 3.83Å; F2014-L2037 HydrophobicContact CE1-CD2 4.46Å; F2014-L2037 HydrophobicContact CE2-CD1 4.3Å; F2014-L2037 HydrophobicContact CG-CD2 3.97Å; F2014-L2037 HydrophobicContact CZ-CB 4.28Å; F2014-L2037 HydrophobicContact CZ-CD1 4.31Å; L2035-L2037 HydrophobicContact CD1-CD2 4.15Å; L2035-L2037 HydrophobicContact CD2-CD2 4.07Å; L2035-L2037 HydrophobicContact CG-CD2 3.9Å; L2037-L2047 HydrophobicContact CD1-CD2 4.1Å; L2037-L2047 HydrophobicContact CD2-CD1 4.24Å; L2037-L2047 HydrophobicContact CD2-CD2 4.32Å; L2037-I2063 HydrophobicContact CD1-CD1 4.1Å |
| 2038 | K | 86.2 | Confident | 82.8 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 79.7 | -178.8 | -72.5 | 164.6 | 178.8 | 171 | 0 | 109.1 | S1995 K2022 E2024 | S1995-K2038 VanDerWaalsContact OG-CE 3.29Å; S1995-K2038 WeakPolarHBondContact OG-CE 3.44Å; S1995-K2038 WeakPolarHBondContact OG-CG 3.39Å; K2022-K2038 HydrophobicContact CB-CB 4Å; K2022-K2038 PolarHBondContact N-O 2.88Å; K2022-K2038 PolarHBondContact O-N 3.09Å; E2024-K2038 IonicContact OE2-NZ 3.44Å; E2024-K2038 PolarHBondContact OE2-NZ 3.04Å |
| 2039 | P | 82.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -72.7 | 136.4 | -176.3 | 29.3 | -33.7 | 0 | 0 | 0 | 111.9 | G1993 F2014 V2065 | G1993-P2039 PolarHBondContact N-O 2.85Å; F2014-P2039 HydrophobicContact CE1-CB 3.84Å; F2014-P2039 HydrophobicContact CE1-CG 4.46Å; F2014-P2039 HydrophobicContact CZ-CB 4.05Å; P2039-V2065 HydrophobicContact CB-CB 4.46Å; P2039-V2065 HydrophobicContact CB-CG1 3.87Å; P2039-V2065 HydrophobicContact CB-CG2 3.83Å; P2039-V2065 HydrophobicContact CG-CG1 3.88Å; P2039-V2065 HydrophobicContact CG-CG2 4.15Å | ||
| 2040 | T | 79.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | trans | -112.6 | 3.5 | -171.5 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2041 | E | 79.3 | Confident | 84.7 | Confident | 24 Ų | 24 | 33 Ų | 33 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -146.1 | 172.2 | 174 | 60.3 | -174.9 | 176.8 | 0 | 0 | 109.7 | G2016 P2017 T2018 K2019 H2045 V2065 | G2016-E2041 WeakPolarHBondContact CA-OE1 3.27Å; P2017-E2041 WeakPolarHBondContact CD-OE1 3.39Å; P2017-E2041 HydrophobicContact CG-CG 4.23Å; T2018-E2041 PolarHBondContact N-OE1 3Å; T2018-E2041 PolarHBondContact OG1-OE2 2.97Å; K2019-E2041 PolarHBondContact N-OE1 2.81Å; E2041-H2045 PolarHBondContact O-CE1 2.95Å; E2041-H2045 VanDerWaalsContact O-CE1 3.23Å; E2041-V2065 WeakPolarHBondContact O-CG1 3.48Å |
| 2042 | T | 79.6 | Confident | 85 | Confident | 72 Ų | 72 | 34.2 Ų | 34.2 | 44% | 0.442 | 18% | 0.182 | S | C | . | . | trans | -99.3 | 160.7 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | I1992 P2017 | I1992-T2042 HydrophobicContact CB-CG2 4.4Å; I1992-T2042 HydrophobicContact CD1-CG2 4.32Å; P2017-T2042 VanDerWaalsContact CG-O 3.3Å; P2017-T2042 WeakPolarHBondContact CG-O 3.42Å | ||
| 2043 | G | 79.7 | Confident | 84.5 | Confident | 33 Ų | 33 | 33.9 Ų | 33.9 | 34% | 0.34 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -168.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H2045 V2065 | G2043-H2045 PolarHBondContact O-N 2.81Å; G2043-H2045 PolarHBondContact O-ND1 2.88Å; G2043-V2065 PolarHBondContact N-O 3.17Å; G2043-V2065 PolarHBondContact O-N 2.87Å |
| 2044 | K | 82.8 | Confident | 84.1 | Confident | 175 Ų | 175 | 38 Ų | 38 | 76% | 0.761 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 104.3 | -172 | -67.3 | 176.6 | -177.2 | 171.5 | 0 | 111 | ||
| 2045 | H | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 163.1 | 170.7 | -69.6 | 52.1 | 0 | 0 | 0 | 111.1 | F2014 T2015 G2016 E2041 G2043 K2062 I2063 V2065 | F2014-H2045 HydrophobicContact CD2-CB 4.3Å; F2014-H2045 AromaticContact CE1-CD2 3.96Å; F2014-H2045 HydrophobicContact CE2-CB 3.49Å; F2014-H2045 VanDerWaalsContact CE2-CB 3.49Å; F2014-H2045 AromaticContact CE2-CD2 3.82Å; F2014-H2045 HydrophobicContact CZ-CB 3.93Å; F2014-H2045 AromaticContact CZ-CD2 3.5Å; F2014-H2045 VanDerWaalsContact CZ-CD2 3.5Å; F2014-H2045 WeakPolarHBondContact CZ-CD2 3.43Å; F2014-H2045 AromaticContact CZ-CG 3.96Å; T2015-H2045 CarbonylContact O-C 3.51Å; T2015-H2045 VanDerWaalsContact O-CA 3.23Å; T2015-H2045 WeakPolarHBondContact O-CA 3.3Å; T2015-H2045 WeakPolarHBondContact O-CB 3.47Å; G2016-H2045 VanDerWaalsContact CA-CD2 3.44Å; G2016-H2045 WeakPolarHBondContact CA-CD2 3.42Å; E2041-H2045 PolarHBondContact O-CE1 2.95Å; E2041-H2045 VanDerWaalsContact O-CE1 3.23Å; G2043-H2045 PolarHBondContact O-N 2.81Å; G2043-H2045 PolarHBondContact O-ND1 2.88Å; H2045-K2062 WeakPolarHBondContact O-CA 3.46Å; H2045-I2063 HydrophobicContact CB-CB 4.25Å; H2045-I2063 PolarHBondContact N-O 2.79Å; H2045-I2063 PolarHBondContact O-N 2.81Å; H2045-V2065 HydrophobicContact CB-CG2 4.28Å; H2045-V2065 VanDerWaalsContact ND1-CG2 3.3Å; H2045-V2065 WeakPolarHBondContact ND1-CG2 3.33Å |
| 2046 | V | 89.5 | Confident | 84 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 35% | 0.345 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.9 | 178.3 | -175.8 | 0 | 0 | 0 | 0 | 109 | T2015 P2060 F2061 | T2015-V2046 PolarHBondContact N-O 3.32Å; T2015-V2046 PolarHBondContact O-N 2.99Å; V2046-P2060 HydrophobicContact CG1-CB 3.74Å; V2046-P2060 HydrophobicContact CG1-CG 4.45Å; V2046-F2061 CarbonylContact C-O 3.47Å; V2046-F2061 WeakPolarHBondContact CA-O 3.21Å |
| 2047 | L | 91 | Very high | 83.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113 | 173.4 | 170.5 | 64.4 | 0 | 0 | 0 | 109.4 | L1987 K2013 F2014 L2035 L2037 V2049 P2060 F2061 I2063 | L1987-L2047 HydrophobicContact CD2-CD2 4.43Å; K2013-L2047 WeakPolarHBondContact O-CA 3.28Å; F2014-L2047 HydrophobicContact CB-CD1 4.24Å; F2014-L2047 HydrophobicContact CD2-CB 4.03Å; L2035-L2047 HydrophobicContact CD2-CD1 4.04Å; L2035-L2047 HydrophobicContact CD2-CD2 3.87Å; L2037-L2047 HydrophobicContact CD1-CD2 4.1Å; L2037-L2047 HydrophobicContact CD2-CD1 4.24Å; L2037-L2047 HydrophobicContact CD2-CD2 4.32Å; L2047-V2049 HydrophobicContact CD1-CG2 3.96Å; L2047-V2049 HydrophobicContact CD2-CG2 4.06Å; L2047-V2049 HydrophobicContact CG-CG2 3.86Å; L2047-P2060 CarbonylContact O-C 3.53Å; L2047-P2060 VanDerWaalsContact O-CA 3.29Å; L2047-P2060 WeakPolarHBondContact O-CA 3.38Å; L2047-F2061 HydrophobicContact CB-CB 4.36Å; L2047-F2061 HydrophobicContact CB-CD2 4.43Å; L2047-F2061 HydrophobicContact CD2-CD2 4.05Å; L2047-F2061 HydrophobicContact CG-CD2 4.14Å; L2047-F2061 PolarHBondContact N-O 2.82Å; L2047-F2061 PolarHBondContact O-N 2.79Å; L2047-I2063 HydrophobicContact CB-CD1 3.5Å; L2047-I2063 VanDerWaalsContact CB-CD1 3.5Å; L2047-I2063 HydrophobicContact CD2-CD1 4.09Å; L2047-I2063 HydrophobicContact CG-CD1 4.45Å |
| 2048 | S | 89.2 | Confident | 83.5 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.1 | 161.7 | 168.6 | 0 | 0 | 0 | 0 | 108.5 | A2012 K2013 D2055 | A2012-S2048 WeakPolarHBondContact CA-O 3.38Å; K2013-S2048 PolarHBondContact N-O 3.16Å; K2013-S2048 PolarHBondContact O-N 2.82Å; S2048-D2055 PolarHBondContact OG-OD1 2.67Å |
| 2049 | V | 89.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.7 | 168.7 | 178 | 0 | 0 | 0 | 0 | 106.6 | V1982 I2000 I2010 T2011 A2012 L2035 L2047 V2056 S2059 F2061 | V1982-V2049 HydrophobicContact CG2-CG1 4.43Å; I2000-V2049 HydrophobicContact CD1-CG1 4.04Å; I2010-V2049 HydrophobicContact CG2-CG1 4.19Å; T2011-V2049 CarbonylContact O-C 3.52Å; T2011-V2049 WeakPolarHBondContact O-CA 3.38Å; A2012-V2049 HydrophobicContact CB-CG2 4.34Å; L2035-V2049 HydrophobicContact CD2-CG2 4.08Å; L2047-V2049 HydrophobicContact CD1-CG2 3.96Å; L2047-V2049 HydrophobicContact CD2-CG2 4.06Å; L2047-V2049 HydrophobicContact CG-CG2 3.86Å; V2049-V2056 HydrophobicContact CB-CG2 3.92Å; V2049-V2056 HydrophobicContact CG1-CG1 4.33Å; V2049-V2056 HydrophobicContact CG1-CG2 3.87Å; V2049-V2056 WeakPolarHBondContact O-CG2 3.48Å; V2049-V2056 PolarHBondContact O-N 3.45Å; V2049-S2059 PolarHBondContact N-OG 3.33Å; V2049-S2059 PolarHBondContact O-OG 2.58Å; V2049-F2061 HydrophobicContact CB-CE2 4.46Å; V2049-F2061 HydrophobicContact CG2-CE2 4.24Å |
| 2050 | K | 86.8 | Confident | 83.8 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.8 | -179.3 | -35.6 | -168.3 | 108.5 | -169.1 | 0 | 111.5 | L439 I2010 T2011 G2053 E2054 D2055 | L439-K2050 HydrophobicContact CB-CD 4.18Å; L439-K2050 HydrophobicContact CD1-CD 3.85Å; L439-K2050 HydrophobicContact CD2-CD 4.22Å; L439-K2050 HydrophobicContact CG-CD 4.27Å; I2010-K2050 WeakPolarHBondContact CA-O 3.39Å; T2011-K2050 PolarHBondContact N-O 2.98Å; T2011-K2050 PolarHBondContact O-N 3.18Å; T2011-K2050 WeakPolarHBondContact OG1-CB 3.39Å; T2011-K2050 PolarHBondContact OG1-O 3.16Å; K2050-G2053 WeakPolarHBondContact CD-O 2.95Å; K2050-G2053 WeakPolarHBondContact CE-O 3.17Å; K2050-G2053 PolarHBondContact NZ-O 3.4Å; K2050-E2054 CarbonylContact C-O 3.42Å; K2050-E2054 WeakPolarHBondContact CA-O 3.44Å; K2050-E2054 VanDerWaalsContact CB-O 3.26Å; K2050-E2054 WeakPolarHBondContact CB-O 3.21Å; K2050-D2055 WeakPolarHBondContact CE-OD2 3.46Å; K2050-D2055 IonicContact NZ-OD2 3.7Å; K2050-D2055 PolarHBondContact NZ-OD2 3.17Å |
| 2051 | F | 82.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.7 | 170 | -175.7 | -106.6 | 0 | 0 | 0 | 108.7 | A1977 V1980 A2005 G2008 E2009 I2010 G2053 E2054 V2056 | A1977-F2051 HydrophobicContact CB-CB 3.92Å; A1977-F2051 HydrophobicContact CB-CD1 4.39Å; V1980-F2051 HydrophobicContact CG2-CB 3.88Å; V1980-F2051 HydrophobicContact CG2-CD1 4.22Å; V1980-F2051 HydrophobicContact CG2-CD2 3.95Å; V1980-F2051 HydrophobicContact CG2-CE2 4.49Å; V1980-F2051 HydrophobicContact CG2-CG 3.77Å; A2005-F2051 HydrophobicContact CB-CD1 4.11Å; A2005-F2051 HydrophobicContact CB-CE1 3.54Å; A2005-F2051 HydrophobicContact CB-CE2 4.22Å; A2005-F2051 HydrophobicContact CB-CZ 3.59Å; G2008-F2051 VanDerWaalsContact C-CE2 3.5Å; G2008-F2051 VanDerWaalsContact CA-CZ 3.49Å; G2008-F2051 WeakPolarHBondContact O-CE2 3.37Å; E2009-F2051 CarbonylContact O-C 3.51Å; E2009-F2051 VanDerWaalsContact O-CA 3.32Å; E2009-F2051 WeakPolarHBondContact O-CA 3.36Å; I2010-F2051 HydrophobicContact CG1-CD2 3.71Å; I2010-F2051 HydrophobicContact CG1-CE2 4.28Å; F2051-G2053 PolarHBondContact O-N 3.27Å; F2051-E2054 PolarHBondContact N-O 3.15Å; F2051-E2054 PolarHBondContact O-N 3.06Å; F2051-V2056 HydrophobicContact CB-CG1 3.94Å |
| 2052 | N | 76 | Confident | 84.6 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.7 | -173.1 | -65.3 | -32.2 | 0 | 0 | 0 | 114.1 | G1975 G2008 E2009 | G1975-N2052 PolarHBondContact N-ND2 2.98Å; G1975-N2052 PolarHBondContact O-ND2 3.16Å; G2008-N2052 WeakPolarHBondContact CA-OD1 3.39Å; E2009-N2052 PolarHBondContact N-OD1 2.99Å; E2009-N2052 PolarHBondContact O-N 3.18Å |
| 2053 | G | 73 | Confident | 85 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -4.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K2050 F2051 | K2050-G2053 WeakPolarHBondContact CD-O 2.95Å; K2050-G2053 WeakPolarHBondContact CE-O 3.17Å; K2050-G2053 PolarHBondContact NZ-O 3.4Å; F2051-G2053 PolarHBondContact O-N 3.27Å |
| 2054 | E | 77.9 | Confident | 85.1 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.2 | 178.6 | -64.8 | -178.7 | 165.2 | 0 | 0 | 111.6 | A1977 K2050 F2051 V2056 | A1977-E2054 HydrophobicContact CB-CB 3.93Å; K2050-E2054 CarbonylContact C-O 3.42Å; K2050-E2054 WeakPolarHBondContact CA-O 3.44Å; K2050-E2054 VanDerWaalsContact CB-O 3.26Å; K2050-E2054 WeakPolarHBondContact CB-O 3.21Å; F2051-E2054 PolarHBondContact N-O 3.15Å; F2051-E2054 PolarHBondContact O-N 3.06Å; E2054-V2056 PolarHBondContact O-N 2.79Å |
| 2055 | D | 81.6 | Confident | 85.1 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 126.6 | -176.4 | -79.6 | -83.2 | 0 | 0 | 0 | 111.9 | S2048 K2050 S2059 | S2048-D2055 PolarHBondContact OG-OD1 2.67Å; K2050-D2055 WeakPolarHBondContact CE-OD2 3.46Å; K2050-D2055 IonicContact NZ-OD2 3.7Å; K2050-D2055 PolarHBondContact NZ-OD2 3.17Å; D2055-S2059 WeakPolarHBondContact OD1-CB 3.45Å |
| 2056 | V | 90.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -74 | 158.4 | -176.3 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | V1980 V1982 V2049 F2051 E2054 G2058 S2059 | V1980-V2056 HydrophobicContact CB-CB 4.16Å; V1980-V2056 HydrophobicContact CB-CG1 3.84Å; V1980-V2056 HydrophobicContact CG1-CB 4.38Å; V1980-V2056 HydrophobicContact CG1-CG1 3.98Å; V1980-V2056 HydrophobicContact CG2-CG1 4.33Å; V1982-V2056 HydrophobicContact CG2-CG2 3.65Å; V2049-V2056 HydrophobicContact CB-CG2 3.92Å; V2049-V2056 HydrophobicContact CG1-CG1 4.33Å; V2049-V2056 HydrophobicContact CG1-CG2 3.87Å; V2049-V2056 WeakPolarHBondContact O-CG2 3.48Å; V2049-V2056 PolarHBondContact O-N 3.45Å; F2051-V2056 HydrophobicContact CB-CG1 3.94Å; E2054-V2056 PolarHBondContact O-N 2.79Å; V2056-G2058 PolarHBondContact O-N 3.19Å; V2056-S2059 WeakPolarHBondContact O-CB 3.45Å; V2056-S2059 PolarHBondContact O-N 3.44Å |
| 2057 | P | 85 | Confident | 83.7 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | 99.3 | -173.5 | -35.5 | 37.9 | 0 | 0 | 0 | 117.3 | A1977 K1984 | A1977-P2057 WeakPolarHBondContact O-CD 3.43Å; K1984-P2057 PolarHBondContact NZ-O 2.65Å |
| 2058 | G | 82.8 | Confident | 82.7 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 56% | 0.557 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | 1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V2056 F2061 | V2056-G2058 PolarHBondContact O-N 3.19Å; G2058-F2061 WeakPolarHBondContact O-CD1 3.34Å; G2058-F2061 WeakPolarHBondContact O-CE1 3.26Å |
| 2059 | S | 89.7 | Confident | 81.7 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 148.8 | 161.9 | -82.9 | 0 | 0 | 0 | 0 | 110.7 | V2049 D2055 V2056 F2061 | V2049-S2059 PolarHBondContact N-OG 3.33Å; V2049-S2059 PolarHBondContact O-OG 2.58Å; D2055-S2059 WeakPolarHBondContact OD1-CB 3.45Å; V2056-S2059 WeakPolarHBondContact O-CB 3.45Å; V2056-S2059 PolarHBondContact O-N 3.44Å; S2059-F2061 WeakPolarHBondContact OG-CE2 3.25Å |
| 2060 | P | 84.7 | Confident | 81.1 | Confident | 71 Ų | 71 | 51.5 Ų | 51.5 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | S | Bend | cis | -81.1 | 130.7 | -8.3 | 32 | -34.1 | 0 | 0 | 0 | 112.5 | V2046 L2047 | V2046-P2060 HydrophobicContact CG1-CB 3.74Å; V2046-P2060 HydrophobicContact CG1-CG 4.45Å; L2047-P2060 CarbonylContact O-C 3.53Å; L2047-P2060 VanDerWaalsContact O-CA 3.29Å; L2047-P2060 WeakPolarHBondContact O-CA 3.38Å |
| 2061 | F | 88.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.7 | 179.7 | -52 | -69.9 | 0 | 0 | 0 | 111.6 | V1982 K1984 L1987 V2046 L2047 V2049 G2058 S2059 I2063 | V1982-F2061 HydrophobicContact CB-CE2 4.29Å; V1982-F2061 HydrophobicContact CB-CZ 4.02Å; V1982-F2061 HydrophobicContact CG1-CE2 4.09Å; V1982-F2061 HydrophobicContact CG1-CZ 4.21Å; V1982-F2061 HydrophobicContact CG2-CE2 4.14Å; V1982-F2061 HydrophobicContact CG2-CZ 4.08Å; K1984-F2061 HydrophobicContact CD-CD1 4.24Å; K1984-F2061 HydrophobicContact CD-CE1 3.74Å; K1984-F2061 HydrophobicContact CG-CE1 4.47Å; L1987-F2061 HydrophobicContact CD1-CB 4.2Å; L1987-F2061 HydrophobicContact CD1-CG 4.19Å; V2046-F2061 CarbonylContact C-O 3.47Å; V2046-F2061 WeakPolarHBondContact CA-O 3.21Å; L2047-F2061 HydrophobicContact CB-CB 4.36Å; L2047-F2061 HydrophobicContact CB-CD2 4.43Å; L2047-F2061 HydrophobicContact CD2-CD2 4.05Å; L2047-F2061 HydrophobicContact CG-CD2 4.14Å; L2047-F2061 PolarHBondContact N-O 2.82Å; L2047-F2061 PolarHBondContact O-N 2.79Å; V2049-F2061 HydrophobicContact CB-CE2 4.46Å; V2049-F2061 HydrophobicContact CG2-CE2 4.24Å; G2058-F2061 WeakPolarHBondContact O-CD1 3.34Å; G2058-F2061 WeakPolarHBondContact O-CE1 3.26Å; S2059-F2061 WeakPolarHBondContact OG-CE2 3.25Å; F2061-I2063 HydrophobicContact CB-CG1 4.42Å |
| 2062 | K | 87 | Confident | 80.7 | Confident | 180 Ų | 180 | 55 Ų | 55 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.2 | 174.9 | -67.3 | 174 | -177.5 | 172 | 0 | 109.6 | H2045 | H2045-K2062 WeakPolarHBondContact O-CA 3.46Å |
| 2063 | I | 88.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.1 | -167.3 | -64.1 | 162.7 | 0 | 0 | 0 | 109.3 | L1987 C1990 F2014 L2037 H2045 L2047 F2061 V2065 | L1987-I2063 HydrophobicContact CB-CG1 4.26Å; L1987-I2063 HydrophobicContact CD1-CD1 4.41Å; L1987-I2063 HydrophobicContact CD1-CG1 4.46Å; L1987-I2063 HydrophobicContact CD2-CD1 3.76Å; L1987-I2063 HydrophobicContact CD2-CG1 4.23Å; C1990-I2063 HydrophobicContact CB-CG2 3.98Å; F2014-I2063 HydrophobicContact CD2-CD1 4.26Å; F2014-I2063 HydrophobicContact CE2-CB 4.48Å; F2014-I2063 HydrophobicContact CE2-CD1 3.7Å; L2037-I2063 HydrophobicContact CD1-CD1 4.1Å; H2045-I2063 HydrophobicContact CB-CB 4.25Å; H2045-I2063 PolarHBondContact N-O 2.79Å; H2045-I2063 PolarHBondContact O-N 2.81Å; L2047-I2063 HydrophobicContact CB-CD1 3.5Å; L2047-I2063 VanDerWaalsContact CB-CD1 3.5Å; L2047-I2063 HydrophobicContact CD2-CD1 4.09Å; L2047-I2063 HydrophobicContact CG-CD1 4.45Å; F2061-I2063 HydrophobicContact CB-CG1 4.42Å; I2063-V2065 HydrophobicContact CG2-CG2 4.28Å |
| 2064 | P | 81.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 56 Ų | 56 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127.2 | 171.5 | 31.1 | -31 | 0 | 0 | 0 | 110.5 | ||
| 2065 | V | 83 | Confident | 82.3 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.1 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | C1990 I1992 P2039 E2041 G2043 H2045 I2063 | C1990-V2065 HydrophobicContact CB-CG2 3.91Å; C1990-V2065 WeakPolarHBondContact O-CA 3.4Å; I1992-V2065 HydrophobicContact CB-CG1 4.34Å; P2039-V2065 HydrophobicContact CB-CB 4.46Å; P2039-V2065 HydrophobicContact CB-CG1 3.87Å; P2039-V2065 HydrophobicContact CB-CG2 3.83Å; P2039-V2065 HydrophobicContact CG-CG1 3.88Å; P2039-V2065 HydrophobicContact CG-CG2 4.15Å; E2041-V2065 WeakPolarHBondContact O-CG1 3.48Å; G2043-V2065 PolarHBondContact N-O 3.17Å; G2043-V2065 PolarHBondContact O-N 2.87Å; H2045-V2065 HydrophobicContact CB-CG2 4.28Å; H2045-V2065 VanDerWaalsContact ND1-CG2 3.3Å; H2045-V2065 WeakPolarHBondContact ND1-CG2 3.33Å; I2063-V2065 HydrophobicContact CG2-CG2 4.28Å |
| 2066 | S | 76.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 164.7 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | C1990 V1991 I1992 | C1990-S2066 PolarHBondContact O-N 2.96Å; C1990-S2066 PolarHBondContact O-OG 3.02Å; V1991-S2066 WeakPolarHBondContact CA-O 3.4Å; I1992-S2066 PolarHBondContact N-O 3.39Å |
| 2067 | S | 70.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 154.2 | 171.5 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | G2101 A2102 | S2067-G2101 WeakPolarHBondContact OG-CA 3.42Å; S2067-A2102 PolarHBondContact O-N 2.69Å |
| 2068 | Q | 70.7 | Confident | 82.9 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 147.3 | 169.5 | -69.2 | -176.8 | 6.2 | 0 | 0 | 110.1 | V1991 I1992 D2070 | V1991-Q2068 HydrophobicContact CG1-CB 4.42Å; V1991-Q2068 HydrophobicContact CG1-CG 3.89Å; I1992-Q2068 HydrophobicContact CG2-CG 3.91Å; I1992-Q2068 WeakPolarHBondContact O-CG 3.38Å; I1992-Q2068 PolarHBondContact O-NE2 3.45Å; Q2068-D2070 PolarHBondContact O-N 2.96Å |
| 2069 | P | 67.8 | Low | 83 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 123 | 172.4 | 25.4 | -32.1 | 0 | 0 | 0 | 109.8 | A2100 A2149 | P2069-A2100 VanDerWaalsContact CA-O 3.31Å; P2069-A2100 WeakPolarHBondContact CA-O 3.33Å; P2069-A2149 HydrophobicContact CB-CB 3.62Å; P2069-A2149 HydrophobicContact CG-CB 3.52Å |
| 2070 | D | 76.9 | Confident | 82.9 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -108.1 | 97.2 | 176.8 | -176.6 | -11.9 | 0 | 0 | 0 | 108.6 | Q2068 T2072 K2073 A2100 | Q2068-D2070 PolarHBondContact O-N 2.96Å; D2070-T2072 PolarHBondContact O-N 3.38Å; D2070-T2072 PolarHBondContact OD1-N 3.25Å; D2070-T2072 VanDerWaalsContact OD1-N 3.17Å; D2070-T2072 PolarHBondContact OD1-OG1 3.37Å; D2070-K2073 HydrophobicContact CB-CD 4.41Å; D2070-K2073 PolarHBondContact O-N 3.21Å; D2070-K2073 WeakPolarHBondContact OD2-CD 3.13Å; D2070-K2073 VanDerWaalsContact OD2-CE 3.3Å; D2070-K2073 WeakPolarHBondContact OD2-CE 3.42Å; D2070-K2073 IonicContact OD2-NZ 2.69Å; D2070-K2073 PolarHBondContact OD2-NZ 3.27Å; D2070-A2100 PolarHBondContact N-O 3.46Å; D2070-A2100 WeakPolarHBondContact O-CA 3.35Å; D2070-A2100 WeakPolarHBondContact O-CB 3.5Å | ||
| 2071 | V | 81.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65 | -27.1 | -173.7 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | K2073 V2074 W2148 E2151 H2152 V2153 | V2071-K2073 PolarHBondContact O-N 3.47Å; V2071-V2074 PolarHBondContact O-N 2.9Å; V2071-W2148 HydrophobicContact CG2-CB 4.5Å; V2071-E2151 HydrophobicContact CG1-CB 4.31Å; V2071-E2151 HydrophobicContact CG2-CB 4.01Å; V2071-H2152 WeakPolarHBondContact CG1-O 3.35Å; V2071-V2153 HydrophobicContact CG1-CG1 4.29Å |
| 2072 | T | 81.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -71.1 | -15.5 | 179.4 | 72.3 | 0 | 0 | 0 | 0 | 113.3 | D2070 L2154 | D2070-T2072 PolarHBondContact O-N 3.38Å; D2070-T2072 PolarHBondContact OD1-N 3.25Å; D2070-T2072 VanDerWaalsContact OD1-N 3.17Å; D2070-T2072 PolarHBondContact OD1-OG1 3.37Å; T2072-L2154 WeakPolarHBondContact O-CD1 3.24Å |
| 2073 | K | 85.2 | Confident | 83.2 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -98.2 | -2.8 | 178 | -68.1 | -179.6 | 179.4 | 126.1 | 0 | 113.7 | D2070 V2071 H2075 A2100 | D2070-K2073 HydrophobicContact CB-CD 4.41Å; D2070-K2073 PolarHBondContact O-N 3.21Å; D2070-K2073 WeakPolarHBondContact OD2-CD 3.13Å; D2070-K2073 VanDerWaalsContact OD2-CE 3.3Å; D2070-K2073 WeakPolarHBondContact OD2-CE 3.42Å; D2070-K2073 IonicContact OD2-NZ 2.69Å; D2070-K2073 PolarHBondContact OD2-NZ 3.27Å; V2071-K2073 PolarHBondContact O-N 3.47Å; K2073-H2075 PolarHBondContact O-CE1 2.59Å; K2073-H2075 PolarHBondContact O-N 3.3Å; K2073-H2075 PolarHBondContact O-ND1 3.26Å; K2073-A2100 HydrophobicContact CB-CB 4.16Å |
| 2074 | V | 87.5 | Confident | 83 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -81.1 | 115.4 | 172 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | V2071 V2095 D2096 T2097 A2100 W2148 V2153 | V2071-V2074 PolarHBondContact O-N 2.9Å; V2074-V2095 HydrophobicContact CG1-CG1 3.46Å; V2074-V2095 VanDerWaalsContact CG1-CG1 3.46Å; V2074-D2096 WeakPolarHBondContact CA-O 3.32Å; V2074-T2097 HydrophobicContact CG1-CG2 4.39Å; V2074-A2100 HydrophobicContact CG2-CB 3.44Å; V2074-A2100 VanDerWaalsContact CG2-CB 3.44Å; V2074-W2148 HydrophobicContact CG2-CB 3.84Å; V2074-W2148 HydrophobicContact CG2-CD2 4.03Å; V2074-W2148 HydrophobicContact CG2-CG 3.61Å; V2074-V2153 HydrophobicContact CB-CB 4.14Å; V2074-V2153 HydrophobicContact CB-CG1 3.69Å; V2074-V2153 HydrophobicContact CG1-CB 4.25Å; V2074-V2153 HydrophobicContact CG1-CG1 3.66Å; V2074-V2153 HydrophobicContact CG2-CG1 4.26Å | ||
| 2075 | H | 87.7 | Confident | 83.2 | Confident | 110 Ų | 110 | 48.9 Ų | 48.9 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.8 | -179.5 | -65.5 | 74.8 | 0 | 0 | 0 | 109.4 | K2073 V2095 D2096 | K2073-H2075 PolarHBondContact O-CE1 2.59Å; K2073-H2075 PolarHBondContact O-N 3.3Å; K2073-H2075 PolarHBondContact O-ND1 3.26Å; H2075-V2095 WeakPolarHBondContact O-CA 3.49Å; H2075-D2096 PolarHBondContact N-O 3.44Å; H2075-D2096 VanDerWaalsContact N-O 3.1Å; H2075-D2096 PolarHBondContact O-N 2.69Å |
| 2076 | V | 92.8 | Very high | 83.4 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.5 | 176 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | V2081 F2093 Y2094 V2095 V2146 V2153 F2158 | V2076-V2081 HydrophobicContact CG1-CG1 3.94Å; V2076-V2081 HydrophobicContact CG1-CG2 4.31Å; V2076-F2093 HydrophobicContact CG1-CD2 3.79Å; V2076-F2093 HydrophobicContact CG1-CE2 4.2Å; V2076-Y2094 VanDerWaalsContact CA-O 3.3Å; V2076-Y2094 WeakPolarHBondContact CA-O 3.43Å; V2076-V2095 HydrophobicContact CG2-CG1 4.27Å; V2076-V2095 HydrophobicContact CG2-CG2 4.19Å; V2076-V2146 HydrophobicContact CG1-CG2 4.5Å; V2076-V2146 HydrophobicContact CG2-CB 4.33Å; V2076-V2146 HydrophobicContact CG2-CG1 3.94Å; V2076-V2146 HydrophobicContact CG2-CG2 4.41Å; V2076-V2153 HydrophobicContact CG2-CG2 3.57Å; V2076-F2158 HydrophobicContact CB-CE2 4.04Å; V2076-F2158 HydrophobicContact CB-CZ 3.68Å; V2076-F2158 HydrophobicContact CG1-CE2 3.87Å; V2076-F2158 HydrophobicContact CG1-CZ 3.87Å; V2076-F2158 HydrophobicContact CG2-CE2 4.27Å; V2076-F2158 HydrophobicContact CG2-CZ 4.2Å |
| 2077 | Y | 89.7 | Confident | 83.8 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 43% | 0.427 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 154.5 | -177.4 | 59.7 | -89.5 | 0 | 0 | 0 | 111.8 | F2093 Y2094 D2096 L2129 | Y2077-F2093 WeakPolarHBondContact O-CA 3.49Å; Y2077-Y2094 HydrophobicContact CD2-CD2 4.04Å; Y2077-Y2094 HydrophobicContact CD2-CG 4.43Å; Y2077-Y2094 AromaticContact CE2-CD2 3.82Å; Y2077-Y2094 HydrophobicContact CE2-CD2 3.82Å; Y2077-Y2094 AromaticContact CE2-CG 3.91Å; Y2077-Y2094 HydrophobicContact CE2-CG 3.91Å; Y2077-Y2094 PolarHBondContact N-O 3.22Å; Y2077-Y2094 VanDerWaalsContact N-O 3.12Å; Y2077-Y2094 PolarHBondContact O-N 2.9Å; Y2077-D2096 HydrophobicContact CE1-CB 4.48Å; Y2077-L2129 WeakPolarHBondContact OH-CD1 3.32Å |
| 2078 | G | 86.9 | Confident | 84.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 130.1 | 164.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | G2080 V2081 | G2078-G2080 PolarHBondContact O-N 2.82Å; G2078-G2080 VanDerWaalsContact O-N 3.16Å; G2078-V2081 VanDerWaalsContact O-CG2 3.23Å; G2078-V2081 WeakPolarHBondContact O-CG2 3.32Å; G2078-V2081 PolarHBondContact O-N 2.92Å |
| 2079 | S | 84.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -49.4 | -37.7 | 178.3 | 29.3 | 0 | 0 | 0 | 0 | 112.8 | V2081 E2082 D2090 T2092 | S2079-V2081 PolarHBondContact O-N 2.84Å; S2079-V2081 VanDerWaalsContact O-N 3.09Å; S2079-E2082 PolarHBondContact O-N 3.19Å; S2079-D2090 CarbonylContact C-O 3.44Å; S2079-D2090 VanDerWaalsContact C-O 3.28Å; S2079-D2090 WeakPolarHBondContact CB-O 3.2Å; S2079-D2090 VanDerWaalsContact OG-CG 3.29Å; S2079-D2090 PolarHBondContact OG-O 2.73Å; S2079-D2090 PolarHBondContact OG-OD2 3.23Å; S2079-T2092 PolarHBondContact N-O 3.42Å; S2079-T2092 PolarHBondContact OG-O 2.72Å |
| 2080 | G | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -68.9 | 2.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G2078 D2090 T2092 Y2134 | G2078-G2080 PolarHBondContact O-N 2.82Å; G2078-G2080 VanDerWaalsContact O-N 3.16Å; G2080-D2090 PolarHBondContact N-O 2.71Å; G2080-T2092 PolarHBondContact N-O 3.21Å; G2080-Y2134 WeakPolarHBondContact O-CE1 3.35Å; G2080-Y2134 PolarHBondContact O-OH 2.94Å |
| 2081 | V | 91.3 | Very high | 86.6 | Confident | 23 Ų | 23 | 51 Ų | 51 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -123.1 | 14.4 | 167 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | V2076 G2078 S2079 F2093 V2144 F2158 | V2076-V2081 HydrophobicContact CG1-CG1 3.94Å; V2076-V2081 HydrophobicContact CG1-CG2 4.31Å; G2078-V2081 VanDerWaalsContact O-CG2 3.23Å; G2078-V2081 WeakPolarHBondContact O-CG2 3.32Å; G2078-V2081 PolarHBondContact O-N 2.92Å; S2079-V2081 PolarHBondContact O-N 2.84Å; S2079-V2081 VanDerWaalsContact O-N 3.09Å; V2081-F2093 HydrophobicContact CG1-CB 4.11Å; V2081-F2093 HydrophobicContact CG1-CD1 4.1Å; V2081-F2093 HydrophobicContact CG1-CD2 4.04Å; V2081-F2093 HydrophobicContact CG1-CE1 4.46Å; V2081-F2093 HydrophobicContact CG1-CE2 4.42Å; V2081-F2093 HydrophobicContact CG1-CG 3.84Å; V2081-F2093 HydrophobicContact CG2-CB 4.47Å; V2081-V2144 HydrophobicContact CG1-CG1 4.3Å; V2081-F2158 HydrophobicContact CB-CB 4.37Å; V2081-F2158 HydrophobicContact CB-CD1 4.23Å; V2081-F2158 HydrophobicContact CB-CG 4.16Å; V2081-F2158 HydrophobicContact CG1-CB 4.44Å; V2081-F2158 HydrophobicContact CG1-CD2 4.06Å; V2081-F2158 HydrophobicContact CG1-CG 4.1Å |
| 2082 | E | 85.8 | Confident | 87.1 | Confident | 123 Ų | 123 | 50.7 Ų | 50.7 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -108.9 | 163.2 | 177 | -64.5 | 178.6 | 176.4 | 0 | 0 | 111.5 | S2079 F2089 V2160 | S2079-E2082 PolarHBondContact O-N 3.19Å; E2082-F2089 WeakPolarHBondContact O-CE2 3.22Å; E2082-V2160 VanDerWaalsContact O-CG1 3.3Å; E2082-V2160 WeakPolarHBondContact O-CG1 3.19Å |
| 2083 | H | 88.8 | Confident | 87.7 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | trans | -73.1 | 144.8 | 172.6 | -56.5 | -87.8 | 0 | 0 | 0 | 110.4 | L2159 V2161 L2169 F2172 | H2083-L2159 PolarHBondContact CE1-O 3Å; H2083-V2161 WeakPolarHBondContact CA-O 3.17Å; H2083-V2161 WeakPolarHBondContact ND1-CB 3.44Å; H2083-V2161 PolarHBondContact ND1-N 2.84Å; H2083-V2161 VanDerWaalsContact ND1-N 3.11Å; H2083-L2169 HydrophobicContact CB-CD1 3.6Å; H2083-F2172 AromaticContact CD2-CE1 3.99Å; H2083-F2172 AromaticContact CE1-CE1 3.39Å; H2083-F2172 WeakPolarHBondContact CE1-CE1 3.47Å; H2083-F2172 AromaticContact CE1-CZ 3.71Å; H2083-F2172 AromaticContact CG-CE1 3.87Å; H2083-F2172 AromaticContact ND1-CE1 3.46Å; H2083-F2172 WeakPolarHBondContact ND1-CE1 3.23Å; H2083-F2172 AromaticContact NE2-CE1 3.7Å | ||
| 2084 | G | 85.3 | Confident | 88.1 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | -171.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V2161 I2162 F2163 | G2084-V2161 PolarHBondContact N-O 3.49Å; G2084-I2162 WeakPolarHBondContact O-CA 3.49Å; G2084-F2163 PolarHBondContact O-N 3.1Å |
| 2085 | V | 86.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.8 | -175.4 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | S2087 T2088 F2089 F2163 D2164 Y2166 L2169 | V2085-S2087 VanDerWaalsContact C-N 3.26Å; V2085-S2087 PolarHBondContact O-N 2.73Å; V2085-S2087 VanDerWaalsContact O-N 3.11Å; V2085-T2088 CarbonylContact O-C 3.59Å; V2085-T2088 PolarHBondContact O-N 2.86Å; V2085-T2088 PolarHBondContact O-OG1 2.76Å; V2085-F2089 WeakPolarHBondContact O-CB 2.84Å; V2085-F2089 PolarHBondContact O-N 2.96Å; V2085-F2163 CarbonylContact C-O 3.56Å; V2085-F2163 VanDerWaalsContact CA-O 3.31Å; V2085-F2163 WeakPolarHBondContact CA-O 3.4Å; V2085-D2164 WeakPolarHBondContact CG1-O 3.15Å; V2085-Y2166 HydrophobicContact CB-CD2 4.17Å; V2085-Y2166 HydrophobicContact CB-CE2 4.01Å; V2085-Y2166 HydrophobicContact CG1-CD2 4.08Å; V2085-Y2166 HydrophobicContact CG1-CE2 4.15Å; V2085-Y2166 HydrophobicContact CG2-CD1 3.81Å; V2085-Y2166 HydrophobicContact CG2-CD2 3.77Å; V2085-Y2166 HydrophobicContact CG2-CE1 4.02Å; V2085-Y2166 HydrophobicContact CG2-CE2 3.97Å; V2085-Y2166 HydrophobicContact CG2-CG 3.68Å; V2085-L2169 HydrophobicContact CG2-CB 4.16Å; V2085-L2169 HydrophobicContact CG2-CD2 3.84Å |
| 2086 | L | 86.8 | Confident | 88.6 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -51.8 | -40.4 | -169.8 | -175.6 | 65.5 | 0 | 0 | 0 | 113.8 | T2088 P2136 I2162 F2163 | L2086-T2088 VanDerWaalsContact C-N 3.26Å; L2086-T2088 PolarHBondContact O-N 3.48Å; L2086-P2136 HydrophobicContact CD1-CB 4.22Å; L2086-P2136 WeakPolarHBondContact CD1-O 3.45Å; L2086-I2162 HydrophobicContact CB-CG2 3.83Å; L2086-I2162 HydrophobicContact CD1-CG2 4.02Å; L2086-F2163 PolarHBondContact N-O 2.99Å |
| 2087 | S | 83.3 | Confident | 88.4 | Confident | 99 Ų | 99 | 41.3 Ų | 41.3 | 69% | 0.692 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -73.2 | -10.8 | -178.4 | 55 | 0 | 0 | 0 | 0 | 115 | V2085 | V2085-S2087 VanDerWaalsContact C-N 3.26Å; V2085-S2087 PolarHBondContact O-N 2.73Å; V2085-S2087 VanDerWaalsContact O-N 3.11Å |
| 2088 | T | 84.3 | Confident | 88.1 | Confident | 78 Ų | 78 | 40 Ų | 40 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -138.5 | 15.3 | -176.7 | 54.1 | 0 | 0 | 0 | 0 | 113 | V2085 L2086 D2090 Y2166 | V2085-T2088 CarbonylContact O-C 3.59Å; V2085-T2088 PolarHBondContact O-N 2.86Å; V2085-T2088 PolarHBondContact O-OG1 2.76Å; L2086-T2088 VanDerWaalsContact C-N 3.26Å; L2086-T2088 PolarHBondContact O-N 3.48Å; T2088-D2090 PolarHBondContact O-N 2.61Å; T2088-Y2166 HydrophobicContact CG2-CE2 4.36Å; T2088-Y2166 PolarHBondContact OG1-OH 2.83Å |
| 2089 | F | 87.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | trans | -75.3 | 106.8 | -174.5 | -165.9 | -96.1 | 0 | 0 | 0 | 111.8 | E2082 V2085 S2091 Y2134 P2136 V2160 I2162 | E2082-F2089 WeakPolarHBondContact O-CE2 3.22Å; V2085-F2089 WeakPolarHBondContact O-CB 2.84Å; V2085-F2089 PolarHBondContact O-N 2.96Å; F2089-S2091 PolarHBondContact O-N 2.86Å; F2089-Y2134 HydrophobicContact CE1-CE1 4.39Å; F2089-Y2134 HydrophobicContact CE1-CE2 4.31Å; F2089-Y2134 AromaticContact CE1-CZ 3.78Å; F2089-Y2134 WeakPolarHBondContact CE1-OH 3.24Å; F2089-Y2134 WeakPolarHBondContact CZ-OH 3.44Å; F2089-P2136 HydrophobicContact CB-CG 4.45Å; F2089-P2136 HydrophobicContact CD1-CG 3.67Å; F2089-P2136 HydrophobicContact CE1-CG 4.32Å; F2089-P2136 HydrophobicContact CG-CG 4.28Å; F2089-V2160 HydrophobicContact CE2-CG1 4.19Å; F2089-V2160 HydrophobicContact CZ-CG1 3.88Å; F2089-I2162 HydrophobicContact CD1-CD1 4.1Å; F2089-I2162 HydrophobicContact CD2-CD1 4.2Å; F2089-I2162 HydrophobicContact CD2-CG1 4.3Å; F2089-I2162 HydrophobicContact CE1-CD1 4.07Å; F2089-I2162 HydrophobicContact CE2-CD1 4.2Å; F2089-I2162 HydrophobicContact CE2-CG1 4.2Å; F2089-I2162 HydrophobicContact CG-CD1 4.16Å; F2089-I2162 HydrophobicContact CZ-CD1 4.14Å | ||
| 2090 | D | 86.7 | Confident | 87.4 | Confident | 82 Ų | 82 | 39.7 Ų | 39.7 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | trans | -77 | 112 | 163.5 | 172.9 | 26.9 | 0 | 0 | 0 | 109.2 | S2079 G2080 T2088 T2092 | S2079-D2090 CarbonylContact C-O 3.44Å; S2079-D2090 VanDerWaalsContact C-O 3.28Å; S2079-D2090 WeakPolarHBondContact CB-O 3.2Å; S2079-D2090 VanDerWaalsContact OG-CG 3.29Å; S2079-D2090 PolarHBondContact OG-O 2.73Å; S2079-D2090 PolarHBondContact OG-OD2 3.23Å; G2080-D2090 PolarHBondContact N-O 2.71Å; T2088-D2090 PolarHBondContact O-N 2.61Å; D2090-T2092 VanDerWaalsContact C-N 3.26Å; D2090-T2092 PolarHBondContact O-N 2.86Å; D2090-T2092 WeakPolarHBondContact OD1-CB 3.31Å; D2090-T2092 PolarHBondContact OD1-N 2.92Å; D2090-T2092 PolarHBondContact OD1-OG1 3.35Å | ||
| 2091 | S | 87.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -86.8 | 7.3 | -179.9 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | F2089 F2093 Y2134 | F2089-S2091 PolarHBondContact O-N 2.86Å; S2091-F2093 PolarHBondContact O-N 2.63Å; S2091-Y2134 WeakPolarHBondContact CB-O 3.18Å; S2091-Y2134 PolarHBondContact OG-N 3.29Å; S2091-Y2134 PolarHBondContact OG-O 2.95Å | ||
| 2092 | T | 91.2 | Very high | 85.8 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | trans | -70.8 | 120.8 | 178.4 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | S2079 G2080 D2090 Y2094 V2131 C2132 R2133 | S2079-T2092 PolarHBondContact N-O 3.42Å; S2079-T2092 PolarHBondContact OG-O 2.72Å; G2080-T2092 PolarHBondContact N-O 3.21Å; D2090-T2092 VanDerWaalsContact C-N 3.26Å; D2090-T2092 PolarHBondContact O-N 2.86Å; D2090-T2092 WeakPolarHBondContact OD1-CB 3.31Å; D2090-T2092 PolarHBondContact OD1-N 2.92Å; D2090-T2092 PolarHBondContact OD1-OG1 3.35Å; T2092-Y2094 HydrophobicContact CG2-CE1 4.37Å; T2092-Y2094 HydrophobicContact CG2-CE2 4.01Å; T2092-V2131 HydrophobicContact CG2-CG1 3.62Å; T2092-C2132 WeakPolarHBondContact CA-O 3.5Å; T2092-R2133 HydrophobicContact CG2-CG 4.34Å; T2092-R2133 PolarHBondContact OG1-NE 2.76Å; T2092-R2133 VanDerWaalsContact OG1-NE 3.17Å | ||
| 2093 | F | 94.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.3 | 165.1 | 69.3 | -92.1 | 0 | 0 | 0 | 111 | V2076 Y2077 V2081 S2091 V2095 V2107 I2109 C2132 Y2134 V2144 V2146 | V2076-F2093 HydrophobicContact CG1-CD2 3.79Å; V2076-F2093 HydrophobicContact CG1-CE2 4.2Å; Y2077-F2093 WeakPolarHBondContact O-CA 3.49Å; V2081-F2093 HydrophobicContact CG1-CB 4.11Å; V2081-F2093 HydrophobicContact CG1-CD1 4.1Å; V2081-F2093 HydrophobicContact CG1-CD2 4.04Å; V2081-F2093 HydrophobicContact CG1-CE1 4.46Å; V2081-F2093 HydrophobicContact CG1-CE2 4.42Å; V2081-F2093 HydrophobicContact CG1-CG 3.84Å; V2081-F2093 HydrophobicContact CG2-CB 4.47Å; S2091-F2093 PolarHBondContact O-N 2.63Å; F2093-V2095 HydrophobicContact CD2-CG2 4.15Å; F2093-V2095 HydrophobicContact CE2-CG2 3.94Å; F2093-V2107 HydrophobicContact CZ-CG1 3.9Å; F2093-I2109 HydrophobicContact CE1-CD1 4.13Å; F2093-C2132 HydrophobicContact CD1-CB 4.14Å; F2093-C2132 HydrophobicContact CD2-CB 3.95Å; F2093-C2132 HydrophobicContact CE1-CB 3.81Å; F2093-C2132 HydrophobicContact CE2-CB 3.61Å; F2093-C2132 HydrophobicContact CG-CB 4.23Å; F2093-C2132 HydrophobicContact CZ-CB 3.55Å; F2093-C2132 PolarHBondContact N-O 2.85Å; F2093-C2132 PolarHBondContact O-N 3.03Å; F2093-Y2134 HydrophobicContact CD1-CE1 4.32Å; F2093-Y2134 HydrophobicContact CE1-CD1 4.17Å; F2093-Y2134 HydrophobicContact CE1-CE1 4.13Å; F2093-V2144 HydrophobicContact CE1-CG1 4.09Å; F2093-V2144 HydrophobicContact CE2-CG1 4.5Å; F2093-V2144 HydrophobicContact CZ-CG1 3.75Å; F2093-V2146 HydrophobicContact CE2-CG2 3.94Å; F2093-V2146 HydrophobicContact CZ-CG2 4.31Å |
| 2094 | Y | 93.6 | Very high | 85.1 | Confident | 76 Ų | 76 | 41 Ų | 41 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.7 | -171.9 | -57.2 | -89.8 | 0 | 0 | 0 | 109.3 | V2076 Y2077 T2092 L2129 I2130 V2131 | V2076-Y2094 VanDerWaalsContact CA-O 3.3Å; V2076-Y2094 WeakPolarHBondContact CA-O 3.43Å; Y2077-Y2094 HydrophobicContact CD2-CD2 4.04Å; Y2077-Y2094 HydrophobicContact CD2-CG 4.43Å; Y2077-Y2094 AromaticContact CE2-CD2 3.82Å; Y2077-Y2094 HydrophobicContact CE2-CD2 3.82Å; Y2077-Y2094 AromaticContact CE2-CG 3.91Å; Y2077-Y2094 HydrophobicContact CE2-CG 3.91Å; Y2077-Y2094 PolarHBondContact N-O 3.22Å; Y2077-Y2094 VanDerWaalsContact N-O 3.12Å; Y2077-Y2094 PolarHBondContact O-N 2.9Å; T2092-Y2094 HydrophobicContact CG2-CE1 4.37Å; T2092-Y2094 HydrophobicContact CG2-CE2 4.01Å; Y2094-L2129 HydrophobicContact CD1-CD2 4.02Å; Y2094-L2129 HydrophobicContact CD1-CG 4.33Å; Y2094-I2130 CarbonylContact C-O 3.52Å; Y2094-I2130 WeakPolarHBondContact CA-O 3.2Å; Y2094-V2131 HydrophobicContact CD1-CB 4.49Å; Y2094-V2131 HydrophobicContact CD1-CG1 4.34Å; Y2094-V2131 HydrophobicContact CD1-CG2 3.95Å; Y2094-V2131 HydrophobicContact CE1-CB 4.46Å; Y2094-V2131 HydrophobicContact CE1-CG1 3.99Å; Y2094-V2131 HydrophobicContact CE1-CG2 3.87Å |
| 2095 | V | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 102.6 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | V2074 H2075 V2076 F2093 T2097 L2105 I2130 V2146 | V2074-V2095 HydrophobicContact CG1-CG1 3.46Å; V2074-V2095 VanDerWaalsContact CG1-CG1 3.46Å; H2075-V2095 WeakPolarHBondContact O-CA 3.49Å; V2076-V2095 HydrophobicContact CG2-CG1 4.27Å; V2076-V2095 HydrophobicContact CG2-CG2 4.19Å; F2093-V2095 HydrophobicContact CD2-CG2 4.15Å; F2093-V2095 HydrophobicContact CE2-CG2 3.94Å; V2095-T2097 HydrophobicContact CG1-CG2 4.2Å; V2095-L2105 HydrophobicContact CB-CD2 4.43Å; V2095-L2105 HydrophobicContact CG1-CD1 4Å; V2095-L2105 HydrophobicContact CG1-CD2 4.38Å; V2095-I2130 HydrophobicContact CB-CB 4.41Å; V2095-I2130 PolarHBondContact N-O 2.79Å; V2095-I2130 WeakPolarHBondContact O-CD1 3.3Å; V2095-I2130 PolarHBondContact O-N 2.87Å; V2095-V2146 HydrophobicContact CG1-CG1 4.34Å; V2095-V2146 HydrophobicContact CG2-CG1 4.2Å |
| 2096 | D | 91.1 | Very high | 85.4 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.2 | 172.5 | -174.1 | 10.9 | 0 | 0 | 0 | 109.9 | V2074 H2075 Y2077 T2098 L2129 | V2074-D2096 WeakPolarHBondContact CA-O 3.32Å; H2075-D2096 PolarHBondContact N-O 3.44Å; H2075-D2096 VanDerWaalsContact N-O 3.1Å; H2075-D2096 PolarHBondContact O-N 2.69Å; Y2077-D2096 HydrophobicContact CE1-CB 4.48Å; D2096-T2098 WeakPolarHBondContact OD1-CB 3.44Å; D2096-T2098 PolarHBondContact OD1-N 2.59Å; D2096-T2098 PolarHBondContact OD1-OG1 2.78Å; D2096-L2129 HydrophobicContact CB-CD1 3.85Å |
| 2097 | T | 88 | Confident | 85.7 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -108.7 | 17.4 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | V2074 V2095 A2100 R2128 I2130 W2148 | V2074-T2097 HydrophobicContact CG1-CG2 4.39Å; V2095-T2097 HydrophobicContact CG1-CG2 4.2Å; T2097-A2100 PolarHBondContact O-N 2.78Å; T2097-R2128 PolarHBondContact N-O 2.97Å; T2097-R2128 PolarHBondContact O-NH1 2.84Å; T2097-R2128 VanDerWaalsContact O-NH1 3.08Å; T2097-R2128 WeakPolarHBondContact OG1-CD 3.32Å; T2097-R2128 PolarHBondContact OG1-O 3.08Å; T2097-I2130 HydrophobicContact CG2-CD1 3.6Å; T2097-W2148 HydrophobicContact CG2-CE3 4.01Å; T2097-W2148 HydrophobicContact CG2-CH2 3.77Å; T2097-W2148 HydrophobicContact CG2-CZ2 4.35Å; T2097-W2148 HydrophobicContact CG2-CZ3 3.58Å | ||
| 2098 | T | 83.9 | Confident | 86 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -63.6 | 130.3 | 175.8 | -61 | 0 | 0 | 0 | 0 | 110.5 | D2096 A2100 R2128 | D2096-T2098 WeakPolarHBondContact OD1-CB 3.44Å; D2096-T2098 PolarHBondContact OD1-N 2.59Å; D2096-T2098 PolarHBondContact OD1-OG1 2.78Å; T2098-A2100 PolarHBondContact O-N 3.21Å; T2098-R2128 VanDerWaalsContact OG1-CB 3.25Å; T2098-R2128 WeakPolarHBondContact OG1-CB 3.29Å |
| 2099 | G | 79.2 | Confident | 86.3 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 73.5 | -20.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G2101 | G2099-G2101 PolarHBondContact O-N 3.45Š|
| 2100 | A | 77.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -70.2 | 15.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P2069 D2070 K2073 V2074 T2097 T2098 W2148 | P2069-A2100 VanDerWaalsContact CA-O 3.31Å; P2069-A2100 WeakPolarHBondContact CA-O 3.33Å; D2070-A2100 PolarHBondContact N-O 3.46Å; D2070-A2100 WeakPolarHBondContact O-CA 3.35Å; D2070-A2100 WeakPolarHBondContact O-CB 3.5Å; K2073-A2100 HydrophobicContact CB-CB 4.16Å; V2074-A2100 HydrophobicContact CG2-CB 3.44Å; V2074-A2100 VanDerWaalsContact CG2-CB 3.44Å; T2097-A2100 PolarHBondContact O-N 2.78Å; T2098-A2100 PolarHBondContact O-N 3.21Å; A2100-W2148 PolarHBondContact O-NE1 2.95Å |
| 2101 | G | 71.9 | Confident | 86 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | trans | 71 | -143.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S2067 G2099 R2128 | S2067-G2101 WeakPolarHBondContact OG-CA 3.42Å; G2099-G2101 PolarHBondContact O-N 3.45Å; G2101-R2128 PolarHBondContact O-NH1 3.33Å; G2101-R2128 PolarHBondContact O-NH2 2.95Å | ||
| 2102 | A | 74 | Confident | 85.6 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -119.9 | 113.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S2067 | S2067-A2102 PolarHBondContact O-N 2.69Š|
| 2103 | G | 75.6 | Confident | 85.1 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | trans | -147.5 | 170 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W2148 | G2103-W2148 VanDerWaalsContact N-CZ2 3.31Å; G2103-W2148 WeakPolarHBondContact O-CH2 3.2Å; G2103-W2148 WeakPolarHBondContact O-CZ3 3.5Å | ||
| 2104 | Q | 83.7 | Confident | 84.2 | Confident | 153 Ų | 153 | 53 Ų | 53 | 72% | 0.715 | 30% | 0.301 | S | S | * | . | trans | -92.1 | 124.5 | 170.4 | -178.4 | 173.4 | 3.5 | 0 | 0 | 109 | W2148 A2149 | Q2104-W2148 WeakPolarHBondContact O-CA 3.2Å; Q2104-A2149 PolarHBondContact O-N 2.6Å | ||
| 2105 | L | 90 | Very high | 83.6 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.3 | 165 | -179.5 | 60.5 | 0 | 0 | 0 | 108.9 | V2095 V2107 I2130 V2146 K2147 W2148 | V2095-L2105 HydrophobicContact CB-CD2 4.43Å; V2095-L2105 HydrophobicContact CG1-CD1 4Å; V2095-L2105 HydrophobicContact CG1-CD2 4.38Å; L2105-V2107 HydrophobicContact CD1-CG2 4.07Å; L2105-V2107 HydrophobicContact CD2-CG2 4.4Å; L2105-V2107 HydrophobicContact CG-CG2 4.15Å; L2105-I2130 HydrophobicContact CD2-CB 4.03Å; L2105-I2130 HydrophobicContact CD2-CD1 4.11Å; L2105-I2130 HydrophobicContact CD2-CG1 3.96Å; L2105-I2130 HydrophobicContact CD2-CG2 3.98Å; L2105-V2146 HydrophobicContact CD1-CG1 3.85Å; L2105-K2147 WeakPolarHBondContact CA-O 3.3Å; L2105-W2148 HydrophobicContact CB-CE3 3.97Å; L2105-W2148 HydrophobicContact CB-CZ3 3.95Å |
| 2106 | A | 89.2 | Confident | 82.9 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K2147 | A2106-K2147 HydrophobicContact CB-CB 4.45Å; A2106-K2147 PolarHBondContact N-O 2.91Å; A2106-K2147 PolarHBondContact O-N 3.49Å |
| 2107 | V | 92.8 | Very high | 82.4 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137 | 170.5 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | F2093 L2105 I2109 V2118 M2120 E2145 V2146 | F2093-V2107 HydrophobicContact CZ-CG1 3.9Å; L2105-V2107 HydrophobicContact CD1-CG2 4.07Å; L2105-V2107 HydrophobicContact CD2-CG2 4.4Å; L2105-V2107 HydrophobicContact CG-CG2 4.15Å; V2107-I2109 HydrophobicContact CG1-CG1 4.34Å; V2107-V2118 HydrophobicContact CB-CG1 4.33Å; V2107-V2118 HydrophobicContact CG1-CG1 3.96Å; V2107-V2118 HydrophobicContact CG1-CG2 4.29Å; V2107-M2120 HydrophobicContact CB-CE 3.76Å; V2107-M2120 HydrophobicContact CB-SD 4.4Å; V2107-M2120 HydrophobicContact CG2-CE 4.25Å; V2107-M2120 HydrophobicContact CG2-SD 4.25Å; V2107-E2145 CarbonylContact C-O 3.57Å; V2107-E2145 VanDerWaalsContact CA-O 3.26Å; V2107-E2145 WeakPolarHBondContact CA-O 3.41Å; V2107-V2146 HydrophobicContact CG1-CG2 4.34Å; V2107-V2146 HydrophobicContact CG2-CG1 4.32Å; V2107-V2146 HydrophobicContact CG2-CG2 4.35Å |
| 2108 | R | 89.6 | Confident | 82.3 | Confident | 165 Ų | 165 | 62.3 Ų | 62.3 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.1 | 170.1 | -62.7 | 175.1 | 171.2 | 175.9 | -4.7 | 109 | E2145 | R2108-E2145 HydrophobicContact CB-CB 4.24Å; R2108-E2145 PolarHBondContact N-O 2.9Å; R2108-E2145 PolarHBondContact O-N 3.11Å |
| 2109 | I | 90.6 | Very high | 82.5 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133 | 176.5 | -61.9 | -176.8 | 0 | 0 | 0 | 108.4 | F2093 V2107 A2115 F2116 V2118 Y2134 Y2142 I2143 V2144 | F2093-I2109 HydrophobicContact CE1-CD1 4.13Å; V2107-I2109 HydrophobicContact CG1-CG1 4.34Å; I2109-A2115 CarbonylContact O-C 3.57Å; I2109-A2115 WeakPolarHBondContact O-CA 3.36Å; I2109-F2116 HydrophobicContact CB-CB 4.21Å; I2109-F2116 HydrophobicContact CG2-CB 4.15Å; I2109-F2116 PolarHBondContact O-N 3.21Å; I2109-V2118 HydrophobicContact CB-CG2 4.1Å; I2109-V2118 HydrophobicContact CD1-CG2 3.82Å; I2109-V2118 HydrophobicContact CG1-CG2 3.75Å; I2109-Y2134 HydrophobicContact CD1-CD1 3.21Å; I2109-Y2134 HydrophobicContact CD1-CD2 4.03Å; I2109-Y2134 HydrophobicContact CD1-CE1 3.62Å; I2109-Y2134 HydrophobicContact CD1-CE2 4.38Å; I2109-Y2134 HydrophobicContact CD1-CG 3.43Å; I2109-Y2134 VanDerWaalsContact CD1-CG 3.43Å; I2109-Y2134 HydrophobicContact CG2-CD2 4.14Å; I2109-Y2134 HydrophobicContact CG2-CE2 4.27Å; I2109-Y2142 HydrophobicContact CG2-CD1 4.14Å; I2109-I2143 WeakPolarHBondContact CA-O 3.26Å; I2109-V2144 HydrophobicContact CD1-CG1 4.06Å; I2109-V2144 HydrophobicContact CD1-CG2 4.06Å; I2109-V2144 HydrophobicContact CG1-CB 4.29Å; I2109-V2144 HydrophobicContact CG1-CG1 3.95Å; I2109-V2144 HydrophobicContact CG1-CG2 4.05Å; I2109-V2144 HydrophobicContact CG2-CG2 4.44Å |
| 2110 | K | 84.3 | Confident | 83 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.8 | 173.7 | -57.6 | 169.6 | -168.4 | 160.7 | 0 | 107.9 | G2114 Y2142 I2143 E2145 | K2110-G2114 CarbonylContact C-O 3.48Å; K2110-G2114 VanDerWaalsContact CA-O 3.3Å; K2110-G2114 WeakPolarHBondContact CA-O 3.39Å; K2110-Y2142 CarbonylContact O-C 3.52Å; K2110-Y2142 VanDerWaalsContact O-CA 3.24Å; K2110-Y2142 WeakPolarHBondContact O-CA 3.46Å; K2110-I2143 HydrophobicContact CB-CB 4.47Å; K2110-I2143 PolarHBondContact N-O 2.86Å; K2110-I2143 PolarHBondContact O-N 2.82Å; K2110-E2145 WeakPolarHBondContact CE-OE1 3.4Å; K2110-E2145 IonicContact NZ-OE1 2.78Å; K2110-E2145 PolarHBondContact NZ-OE1 3.26Å |
| 2111 | G | 84.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -169.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K2113 G2114 | G2111-K2113 PolarHBondContact O-N 3.5Å; G2111-G2114 PolarHBondContact N-O 3Å; G2111-G2114 PolarHBondContact O-N 2.62Å |
| 2112 | P | 78.9 | Confident | 84 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 47% | 0.468 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.9 | -174.4 | -28 | 36.7 | 0 | 0 | 0 | 115.3 | D2141 | P2112-D2141 WeakPolarHBondContact CD-O 3.37Š|
| 2113 | K | 79.6 | Confident | 84.4 | Confident | 159 Ų | 159 | 79.9 Ų | 79.9 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.3 | 177.9 | -72.6 | -174.7 | 173.9 | 161.4 | 0 | 115.2 | G2111 E2138 | G2111-K2113 PolarHBondContact O-N 3.5Å; K2113-E2138 WeakPolarHBondContact CD-OE2 3.34Å; K2113-E2138 WeakPolarHBondContact CE-OE2 3.37Å; K2113-E2138 IonicContact NZ-OE1 2.65Å; K2113-E2138 PolarHBondContact NZ-OE1 3.25Å; K2113-E2138 IonicContact NZ-OE2 3.56Å; K2113-E2138 PolarHBondContact NZ-OE2 2.68Å |
| 2114 | G | 77.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.8 | -151 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K2110 G2111 F2116 | K2110-G2114 CarbonylContact C-O 3.48Å; K2110-G2114 VanDerWaalsContact CA-O 3.3Å; K2110-G2114 WeakPolarHBondContact CA-O 3.39Å; G2111-G2114 PolarHBondContact N-O 3Å; G2111-G2114 PolarHBondContact O-N 2.62Å; G2114-F2116 WeakPolarHBondContact O-CD2 3.19Å |
| 2115 | A | 80 | Confident | 84.2 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 78% | 0.777 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 133.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2109 | I2109-A2115 CarbonylContact O-C 3.57Å; I2109-A2115 WeakPolarHBondContact O-CA 3.36Å |
| 2116 | F | 79.6 | Confident | 83.6 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 23% | 0.228 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 152.3 | 177.1 | -78.4 | -107.4 | 0 | 0 | 0 | 111.3 | I2109 G2114 E2135 Y2142 | I2109-F2116 HydrophobicContact CB-CB 4.21Å; I2109-F2116 HydrophobicContact CG2-CB 4.15Å; I2109-F2116 PolarHBondContact O-N 3.21Å; G2114-F2116 WeakPolarHBondContact O-CD2 3.19Å; F2116-E2135 WeakPolarHBondContact CD1-O 3.39Å; F2116-E2135 WeakPolarHBondContact CE1-O 3.27Å; F2116-Y2142 HydrophobicContact CD1-CE1 4.38Å; F2116-Y2142 HydrophobicContact CD2-CD1 4.44Å; F2116-Y2142 HydrophobicContact CD2-CE1 4.09Å; F2116-Y2142 AromaticContact CE1-CE1 3.92Å; F2116-Y2142 HydrophobicContact CE1-CE1 3.92Å; F2116-Y2142 HydrophobicContact CE2-CD1 4.29Å; F2116-Y2142 AromaticContact CE2-CE1 3.62Å; F2116-Y2142 HydrophobicContact CE2-CE1 3.62Å; F2116-Y2142 HydrophobicContact CG-CE1 4.47Å; F2116-Y2142 AromaticContact CZ-CE1 3.52Å; F2116-Y2142 HydrophobicContact CZ-CE1 3.52Å |
| 2117 | H | 81 | Confident | 82.8 | Confident | 156 Ų | 156 | 100.5 Ų | 100.5 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -73 | 146.8 | 166.4 | -165.2 | 66 | 0 | 0 | 0 | 109.9 | ||
| 2118 | V | 86.4 | Confident | 82.3 | Confident | 15 Ų | 15 | 104.9 Ų | 104.9 | 9% | 0.091 | 49% | 0.491 | C | S | . | . | trans | -130.3 | 115.7 | 179.5 | -173.4 | 0 | 0 | 0 | 0 | 108 | V2107 I2109 M2120 C2132 R2133 | V2107-V2118 HydrophobicContact CB-CG1 4.33Å; V2107-V2118 HydrophobicContact CG1-CG1 3.96Å; V2107-V2118 HydrophobicContact CG1-CG2 4.29Å; I2109-V2118 HydrophobicContact CB-CG2 4.1Å; I2109-V2118 HydrophobicContact CD1-CG2 3.82Å; I2109-V2118 HydrophobicContact CG1-CG2 3.75Å; V2118-M2120 HydrophobicContact CB-CE 4.09Å; V2118-M2120 HydrophobicContact CG1-CE 4.1Å; V2118-M2120 HydrophobicContact CG1-CG 4.29Å; V2118-C2132 HydrophobicContact CG1-CB 4.31Å; V2118-R2133 CarbonylContact C-O 3.45Å; V2118-R2133 WeakPolarHBondContact CA-O 3.43Å | ||
| 2119 | E | 87.3 | Confident | 82.2 | Confident | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 141.7 | 170.7 | -60.9 | -163.9 | 148.3 | 0 | 0 | 109.7 | C2132 R2133 | E2119-C2132 VanDerWaalsContact O-CA 3.3Å; E2119-C2132 WeakPolarHBondContact O-CA 3.17Å; E2119-R2133 HydrophobicContact CB-CB 4.46Å; E2119-R2133 PolarHBondContact N-O 2.71Å; E2119-R2133 PolarHBondContact O-N 3.43Å |
| 2120 | M | 89.5 | Confident | 82.2 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 113.4 | 179 | -53.9 | -175.5 | -148.6 | 0 | 0 | 110.2 | V2107 V2118 I2130 V2131 | V2107-M2120 HydrophobicContact CB-CE 3.76Å; V2107-M2120 HydrophobicContact CB-SD 4.4Å; V2107-M2120 HydrophobicContact CG2-CE 4.25Å; V2107-M2120 HydrophobicContact CG2-SD 4.25Å; V2118-M2120 HydrophobicContact CB-CE 4.09Å; V2118-M2120 HydrophobicContact CG1-CE 4.1Å; V2118-M2120 HydrophobicContact CG1-CG 4.29Å; M2120-I2130 HydrophobicContact CB-CG2 4.2Å; M2120-V2131 WeakPolarHBondContact CA-O 3.32Å |
| 2121 | E | 87.4 | Confident | 82.5 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.8 | 173.4 | -164.4 | 179.8 | -165.1 | 0 | 0 | 109.9 | K2124 V2131 | E2121-K2124 IonicContact OE1-NZ 3.79Å; E2121-K2124 PolarHBondContact OE1-NZ 2.73Å; E2121-K2124 IonicContact OE2-NZ 3.89Å; E2121-V2131 PolarHBondContact N-O 3.18Å; E2121-V2131 PolarHBondContact O-N 2.85Å |
| 2122 | R | 83.6 | Confident | 82.9 | Confident | 184 Ų | 184 | 94.1 Ų | 94.1 | 69% | 0.694 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.7 | 168.7 | -69.5 | -174.7 | -178.6 | 162.6 | 1.1 | 109.7 | I2130 | R2122-I2130 HydrophobicContact CG-CG1 4.31Å |
| 2123 | D | 82.1 | Confident | 83.5 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | trans | -64 | 142.9 | 174.7 | -179 | -104.5 | 0 | 0 | 0 | 111.5 | R2125 Q2126 L2129 | D2123-R2125 VanDerWaalsContact C-N 3.33Å; D2123-R2125 VanDerWaalsContact OD1-CA 3.32Å; D2123-R2125 WeakPolarHBondContact OD1-CA 3.36Å; D2123-R2125 WeakPolarHBondContact OD1-CB 3.15Å; D2123-R2125 PolarHBondContact OD1-N 2.83Å; D2123-Q2126 PolarHBondContact OD1-N 3.19Å; D2123-L2129 HydrophobicContact CB-CB 4.26Å; D2123-L2129 HydrophobicContact CB-CD2 4.41Å; D2123-L2129 PolarHBondContact N-O 2.92Å | ||
| 2124 | K | 77.3 | Confident | 84 | Confident | 168 Ų | 168 | 88 Ų | 88 | 73% | 0.73 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -86.4 | -3.3 | -173.4 | -60.5 | -176.8 | -177.4 | 85.4 | 0 | 113.4 | E2121 | E2121-K2124 IonicContact OE1-NZ 3.79Å; E2121-K2124 PolarHBondContact OE1-NZ 2.73Å; E2121-K2124 IonicContact OE2-NZ 3.89Å |
| 2125 | R | 77.1 | Confident | 84.3 | Confident | 235 Ų | 235 | 93.6 Ų | 93.6 | 89% | 0.887 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -117.1 | -25.1 | 177.2 | -59 | 178.7 | 177.4 | 179.4 | 0.1 | 112.2 | D2123 | D2123-R2125 VanDerWaalsContact C-N 3.33Å; D2123-R2125 VanDerWaalsContact OD1-CA 3.32Å; D2123-R2125 WeakPolarHBondContact OD1-CA 3.36Å; D2123-R2125 WeakPolarHBondContact OD1-CB 3.15Å; D2123-R2125 PolarHBondContact OD1-N 2.83Å |
| 2126 | Q | 77.1 | Confident | 84.4 | Confident | 115 Ų | 115 | 90 Ų | 90 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | trans | -126.4 | 90.6 | 178.9 | -63.6 | -175.5 | -7.3 | 0 | 0 | 110.3 | D2123 R2128 L2129 | D2123-Q2126 PolarHBondContact OD1-N 3.19Å; Q2126-R2128 PolarHBondContact O-N 2.93Å; Q2126-L2129 HydrophobicContact CB-CB 4.04Å; Q2126-L2129 PolarHBondContact O-N 3.25Å | ||
| 2127 | E | 72.6 | Confident | 84.5 | Confident | 174 Ų | 174 | 94.7 Ų | 94.7 | 81% | 0.813 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.1 | -172.4 | -61.4 | -170 | 148.3 | 0 | 0 | 115.9 | ||
| 2128 | R | 82.8 | Confident | 84.7 | Confident | 106 Ų | 106 | 91.2 Ų | 91.2 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -6.9 | -178.8 | -74.2 | -66 | -174.9 | 143.6 | -8.1 | 114.9 | T2097 T2098 G2101 Q2126 | T2097-R2128 PolarHBondContact N-O 2.97Å; T2097-R2128 PolarHBondContact O-NH1 2.84Å; T2097-R2128 VanDerWaalsContact O-NH1 3.08Å; T2097-R2128 WeakPolarHBondContact OG1-CD 3.32Å; T2097-R2128 PolarHBondContact OG1-O 3.08Å; T2098-R2128 VanDerWaalsContact OG1-CB 3.25Å; T2098-R2128 WeakPolarHBondContact OG1-CB 3.29Å; G2101-R2128 PolarHBondContact O-NH1 3.33Å; G2101-R2128 PolarHBondContact O-NH2 2.95Å; Q2126-R2128 PolarHBondContact O-N 2.93Å |
| 2129 | L | 87.7 | Confident | 84.7 | Confident | 13 Ų | 13 | 94.1 Ų | 94.1 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.6 | 175.9 | -166.1 | 69 | 0 | 0 | 0 | 110.1 | Y2077 Y2094 D2096 D2123 Q2126 | Y2077-L2129 WeakPolarHBondContact OH-CD1 3.32Å; Y2094-L2129 HydrophobicContact CD1-CD2 4.02Å; Y2094-L2129 HydrophobicContact CD1-CG 4.33Å; D2096-L2129 HydrophobicContact CB-CD1 3.85Å; D2123-L2129 HydrophobicContact CB-CB 4.26Å; D2123-L2129 HydrophobicContact CB-CD2 4.41Å; D2123-L2129 PolarHBondContact N-O 2.92Å; Q2126-L2129 HydrophobicContact CB-CB 4.04Å; Q2126-L2129 PolarHBondContact O-N 3.25Å |
| 2130 | I | 90.7 | Very high | 84.5 | Confident | 15 Ų | 15 | 89.4 Ų | 89.4 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130 | 170.9 | -55.4 | 87 | 0 | 0 | 0 | 108 | Y2094 V2095 T2097 L2105 M2120 R2122 | Y2094-I2130 CarbonylContact C-O 3.52Å; Y2094-I2130 WeakPolarHBondContact CA-O 3.2Å; V2095-I2130 HydrophobicContact CB-CB 4.41Å; V2095-I2130 PolarHBondContact N-O 2.79Å; V2095-I2130 WeakPolarHBondContact O-CD1 3.3Å; V2095-I2130 PolarHBondContact O-N 2.87Å; T2097-I2130 HydrophobicContact CG2-CD1 3.6Å; L2105-I2130 HydrophobicContact CD2-CB 4.03Å; L2105-I2130 HydrophobicContact CD2-CD1 4.11Å; L2105-I2130 HydrophobicContact CD2-CG1 3.96Å; L2105-I2130 HydrophobicContact CD2-CG2 3.98Å; M2120-I2130 HydrophobicContact CB-CG2 4.2Å; R2122-I2130 HydrophobicContact CG-CG1 4.31Å |
| 2131 | V | 91.1 | Very high | 84.3 | Confident | 16 Ų | 16 | 89.5 Ų | 89.5 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.7 | 171.5 | -169 | 0 | 0 | 0 | 0 | 108.1 | T2092 Y2094 M2120 E2121 | T2092-V2131 HydrophobicContact CG2-CG1 3.62Å; Y2094-V2131 HydrophobicContact CD1-CB 4.49Å; Y2094-V2131 HydrophobicContact CD1-CG1 4.34Å; Y2094-V2131 HydrophobicContact CD1-CG2 3.95Å; Y2094-V2131 HydrophobicContact CE1-CB 4.46Å; Y2094-V2131 HydrophobicContact CE1-CG1 3.99Å; Y2094-V2131 HydrophobicContact CE1-CG2 3.87Å; M2120-V2131 WeakPolarHBondContact CA-O 3.32Å; E2121-V2131 PolarHBondContact N-O 3.18Å; E2121-V2131 PolarHBondContact O-N 2.85Å |
| 2132 | C | 92.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.8 | 178.3 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | T2092 F2093 V2118 E2119 | T2092-C2132 WeakPolarHBondContact CA-O 3.5Å; F2093-C2132 HydrophobicContact CD1-CB 4.14Å; F2093-C2132 HydrophobicContact CD2-CB 3.95Å; F2093-C2132 HydrophobicContact CE1-CB 3.81Å; F2093-C2132 HydrophobicContact CE2-CB 3.61Å; F2093-C2132 HydrophobicContact CG-CB 4.23Å; F2093-C2132 HydrophobicContact CZ-CB 3.55Å; F2093-C2132 PolarHBondContact N-O 2.85Å; F2093-C2132 PolarHBondContact O-N 3.03Å; V2118-C2132 HydrophobicContact CG1-CB 4.31Å; E2119-C2132 VanDerWaalsContact O-CA 3.3Å; E2119-C2132 WeakPolarHBondContact O-CA 3.17Å |
| 2133 | R | 90.8 | Very high | 84.5 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 36% | 0.362 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.8 | 175.8 | -61.8 | -171.2 | -176.5 | 98.5 | 5.3 | 111.5 | T2092 V2118 E2119 | T2092-R2133 HydrophobicContact CG2-CG 4.34Å; T2092-R2133 PolarHBondContact OG1-NE 2.76Å; T2092-R2133 VanDerWaalsContact OG1-NE 3.17Å; V2118-R2133 CarbonylContact C-O 3.45Å; V2118-R2133 WeakPolarHBondContact CA-O 3.43Å; E2119-R2133 HydrophobicContact CB-CB 4.46Å; E2119-R2133 PolarHBondContact N-O 2.71Å; E2119-R2133 PolarHBondContact O-N 3.43Å |
| 2134 | Y | 90 | Very high | 85 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 2% | 0.02 | 35% | 0.35 | C | S | . | . | trans | -151.3 | 150.1 | 174.4 | 64.7 | -79.5 | 0 | 0 | 0 | 110.1 | G2080 F2089 S2091 F2093 I2109 P2136 Y2142 | G2080-Y2134 WeakPolarHBondContact O-CE1 3.35Å; G2080-Y2134 PolarHBondContact O-OH 2.94Å; F2089-Y2134 HydrophobicContact CE1-CE1 4.39Å; F2089-Y2134 HydrophobicContact CE1-CE2 4.31Å; F2089-Y2134 AromaticContact CE1-CZ 3.78Å; F2089-Y2134 WeakPolarHBondContact CE1-OH 3.24Å; F2089-Y2134 WeakPolarHBondContact CZ-OH 3.44Å; S2091-Y2134 WeakPolarHBondContact CB-O 3.18Å; S2091-Y2134 PolarHBondContact OG-N 3.29Å; S2091-Y2134 PolarHBondContact OG-O 2.95Å; F2093-Y2134 HydrophobicContact CD1-CE1 4.32Å; F2093-Y2134 HydrophobicContact CE1-CD1 4.17Å; F2093-Y2134 HydrophobicContact CE1-CE1 4.13Å; I2109-Y2134 HydrophobicContact CD1-CD1 3.21Å; I2109-Y2134 HydrophobicContact CD1-CD2 4.03Å; I2109-Y2134 HydrophobicContact CD1-CE1 3.62Å; I2109-Y2134 HydrophobicContact CD1-CE2 4.38Å; I2109-Y2134 HydrophobicContact CD1-CG 3.43Å; I2109-Y2134 VanDerWaalsContact CD1-CG 3.43Å; I2109-Y2134 HydrophobicContact CG2-CD2 4.14Å; I2109-Y2134 HydrophobicContact CG2-CE2 4.27Å; Y2134-P2136 HydrophobicContact CE2-CB 4.29Å; Y2134-P2136 HydrophobicContact CE2-CG 4.24Å; Y2134-P2136 WeakPolarHBondContact O-CD 3.03Å; Y2134-Y2142 HydrophobicContact CE2-CD1 4.2Å | ||
| 2135 | E | 84.1 | Confident | 85.7 | Confident | 153 Ų | 153 | 69.7 Ų | 69.7 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | trans | -104 | 99.2 | 179.4 | -66.9 | -171 | 159.5 | 0 | 0 | 110.6 | F2116 | F2116-E2135 WeakPolarHBondContact CD1-O 3.39Å; F2116-E2135 WeakPolarHBondContact CE1-O 3.27Å | ||
| 2136 | P | 82.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | -69.4 | 131.9 | 169.5 | 29.9 | -32.7 | 0 | 0 | 0 | 109.4 | L2086 F2089 Y2134 Y2142 I2162 | L2086-P2136 HydrophobicContact CD1-CB 4.22Å; L2086-P2136 WeakPolarHBondContact CD1-O 3.45Å; F2089-P2136 HydrophobicContact CB-CG 4.45Å; F2089-P2136 HydrophobicContact CD1-CG 3.67Å; F2089-P2136 HydrophobicContact CE1-CG 4.32Å; F2089-P2136 HydrophobicContact CG-CG 4.28Å; Y2134-P2136 HydrophobicContact CE2-CB 4.29Å; Y2134-P2136 HydrophobicContact CE2-CG 4.24Å; Y2134-P2136 WeakPolarHBondContact O-CD 3.03Å; P2136-Y2142 HydrophobicContact CB-CE1 3.84Å; P2136-Y2142 HydrophobicContact CB-CE2 4.34Å; P2136-Y2142 WeakPolarHBondContact CB-OH 3.2Å; P2136-I2162 HydrophobicContact CB-CD1 3.41Å; P2136-I2162 VanDerWaalsContact CB-CD1 3.41Å; P2136-I2162 HydrophobicContact CG-CD1 3.6Å | ||
| 2137 | Q | 82.2 | Confident | 87 | Confident | 150 Ų | 150 | 55.5 Ų | 55.5 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | trans | -111.5 | -10.1 | -177.4 | -65.6 | -171.1 | -12.9 | 0 | 0 | 113.4 | ||||
| 2138 | E | 83.4 | Confident | 87.7 | Confident | 82 Ų | 82 | 47.9 Ų | 47.9 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -146.4 | 150.6 | -176.7 | -60.5 | -173.1 | 158.8 | 0 | 0 | 110.7 | K2113 Y2142 | K2113-E2138 WeakPolarHBondContact CD-OE2 3.34Å; K2113-E2138 WeakPolarHBondContact CE-OE2 3.37Å; K2113-E2138 IonicContact NZ-OE1 2.65Å; K2113-E2138 PolarHBondContact NZ-OE1 3.25Å; K2113-E2138 IonicContact NZ-OE2 3.56Å; K2113-E2138 PolarHBondContact NZ-OE2 2.68Å; E2138-Y2142 WeakPolarHBondContact O-CE2 3.33Å; E2138-Y2142 PolarHBondContact O-OH 3.41Å |
| 2139 | Q | 87 | Confident | 87.7 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | trans | -69 | 159 | 173 | 60.3 | 162.7 | -27.3 | 0 | 0 | 113.1 | I2162 D2164 | Q2139-I2162 CarbonylContact C-O 3.5Å; Q2139-I2162 VanDerWaalsContact CA-O 3.28Å; Q2139-I2162 WeakPolarHBondContact CA-O 3.48Å; Q2139-I2162 WeakPolarHBondContact CB-O 3.41Å; Q2139-D2164 WeakPolarHBondContact CB-OD1 3.25Å; Q2139-D2164 HydrophobicContact CG-CB 4.47Å; Q2139-D2164 VanDerWaalsContact CG-OD1 3.32Å; Q2139-D2164 WeakPolarHBondContact CG-OD1 3.49Å; Q2139-D2164 PolarHBondContact NE2-OD2 3.41Å | ||
| 2140 | G | 83.7 | Confident | 87.3 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.3 | -165.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y2142 I2162 | G2140-Y2142 WeakPolarHBondContact O-CD2 3.4Å; G2140-I2162 PolarHBondContact N-O 2.78Å; G2140-I2162 PolarHBondContact O-N 2.97Å |
| 2141 | D | 85.3 | Confident | 86.8 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.4 | -172.9 | -56.4 | -24.7 | 0 | 0 | 0 | 112.3 | P2112 | P2112-D2141 WeakPolarHBondContact CD-O 3.37Å |
| 2142 | Y | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.2 | 173.5 | -68.3 | -109.7 | 0 | 0 | 0 | 110.6 | I2109 K2110 F2116 Y2134 P2136 E2138 G2140 L2159 V2160 I2162 | I2109-Y2142 HydrophobicContact CG2-CD1 4.14Å; K2110-Y2142 CarbonylContact O-C 3.52Å; K2110-Y2142 VanDerWaalsContact O-CA 3.24Å; K2110-Y2142 WeakPolarHBondContact O-CA 3.46Å; F2116-Y2142 HydrophobicContact CD1-CE1 4.38Å; F2116-Y2142 HydrophobicContact CD2-CD1 4.44Å; F2116-Y2142 HydrophobicContact CD2-CE1 4.09Å; F2116-Y2142 AromaticContact CE1-CE1 3.92Å; F2116-Y2142 HydrophobicContact CE1-CE1 3.92Å; F2116-Y2142 HydrophobicContact CE2-CD1 4.29Å; F2116-Y2142 AromaticContact CE2-CE1 3.62Å; F2116-Y2142 HydrophobicContact CE2-CE1 3.62Å; F2116-Y2142 HydrophobicContact CG-CE1 4.47Å; F2116-Y2142 AromaticContact CZ-CE1 3.52Å; F2116-Y2142 HydrophobicContact CZ-CE1 3.52Å; Y2134-Y2142 HydrophobicContact CE2-CD1 4.2Å; P2136-Y2142 HydrophobicContact CB-CE1 3.84Å; P2136-Y2142 HydrophobicContact CB-CE2 4.34Å; P2136-Y2142 WeakPolarHBondContact CB-OH 3.2Å; E2138-Y2142 WeakPolarHBondContact O-CE2 3.33Å; E2138-Y2142 PolarHBondContact O-OH 3.41Å; G2140-Y2142 WeakPolarHBondContact O-CD2 3.4Å; Y2142-L2159 CarbonylContact O-C 3.45Å; Y2142-V2160 WeakPolarHBondContact CA-O 3.1Å; Y2142-V2160 WeakPolarHBondContact CB-O 3.5Å; Y2142-V2160 PolarHBondContact N-O 2.92Å; Y2142-V2160 PolarHBondContact O-N 3.12Å; Y2142-I2162 HydrophobicContact CD2-CB 4.36Å; Y2142-I2162 HydrophobicContact CD2-CD1 3.81Å; Y2142-I2162 HydrophobicContact CD2-CG1 3.93Å; Y2142-I2162 HydrophobicContact CE2-CB 4.16Å; Y2142-I2162 HydrophobicContact CE2-CD1 3.77Å; Y2142-I2162 HydrophobicContact CE2-CG1 4.09Å; Y2142-I2162 HydrophobicContact CG-CD1 4.34Å |
| 2143 | I | 87.7 | Confident | 86.4 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.8 | -180 | -54.6 | 178.5 | 0 | 0 | 0 | 108.2 | I2109 K2110 E2145 P2157 F2158 L2159 | I2109-I2143 WeakPolarHBondContact CA-O 3.26Å; K2110-I2143 HydrophobicContact CB-CB 4.47Å; K2110-I2143 PolarHBondContact N-O 2.86Å; K2110-I2143 PolarHBondContact O-N 2.82Å; I2143-E2145 HydrophobicContact CG2-CG 4.44Å; I2143-P2157 HydrophobicContact CG2-CB 3.68Å; I2143-F2158 WeakPolarHBondContact CA-O 3.43Å; I2143-L2159 HydrophobicContact CG1-CD1 4.17Å |
| 2144 | V | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 96.3 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | V2081 F2093 I2109 V2146 S2156 P2157 F2158 V2160 | V2081-V2144 HydrophobicContact CG1-CG1 4.3Å; F2093-V2144 HydrophobicContact CE1-CG1 4.09Å; F2093-V2144 HydrophobicContact CE2-CG1 4.5Å; F2093-V2144 HydrophobicContact CZ-CG1 3.75Å; I2109-V2144 HydrophobicContact CD1-CG1 4.06Å; I2109-V2144 HydrophobicContact CD1-CG2 4.06Å; I2109-V2144 HydrophobicContact CG1-CB 4.29Å; I2109-V2144 HydrophobicContact CG1-CG1 3.95Å; I2109-V2144 HydrophobicContact CG1-CG2 4.05Å; I2109-V2144 HydrophobicContact CG2-CG2 4.44Å; V2144-V2146 HydrophobicContact CG1-CG2 3.98Å; V2144-V2146 PolarHBondContact O-N 3.05Å; V2144-S2156 PolarHBondContact O-OG 2.8Å; V2144-P2157 WeakPolarHBondContact O-CA 3.3Å; V2144-F2158 HydrophobicContact CB-CB 4.2Å; V2144-F2158 HydrophobicContact CB-CD2 4.37Å; V2144-F2158 HydrophobicContact CG1-CD2 4.44Å; V2144-F2158 PolarHBondContact N-O 2.57Å; V2144-F2158 PolarHBondContact O-N 3.24Å; V2144-V2160 HydrophobicContact CG2-CG2 4.2Å |
| 2145 | E | 91 | Very high | 85.3 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 108 | 171.4 | -58.4 | 178.5 | -168.2 | 0 | 0 | 109.3 | V2107 R2108 K2110 I2143 P2157 | V2107-E2145 CarbonylContact C-O 3.57Å; V2107-E2145 VanDerWaalsContact CA-O 3.26Å; V2107-E2145 WeakPolarHBondContact CA-O 3.41Å; R2108-E2145 HydrophobicContact CB-CB 4.24Å; R2108-E2145 PolarHBondContact N-O 2.9Å; R2108-E2145 PolarHBondContact O-N 3.11Å; K2110-E2145 WeakPolarHBondContact CE-OE1 3.4Å; K2110-E2145 IonicContact NZ-OE1 2.78Å; K2110-E2145 PolarHBondContact NZ-OE1 3.26Å; I2143-E2145 HydrophobicContact CG2-CG 4.44Å; E2145-P2157 HydrophobicContact CG-CB 4.37Å |
| 2146 | V | 93.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122 | 168.5 | -176 | 0 | 0 | 0 | 0 | 107.8 | V2076 F2093 V2095 L2105 V2107 V2144 V2153 S2156 F2158 | V2076-V2146 HydrophobicContact CG1-CG2 4.5Å; V2076-V2146 HydrophobicContact CG2-CB 4.33Å; V2076-V2146 HydrophobicContact CG2-CG1 3.94Å; V2076-V2146 HydrophobicContact CG2-CG2 4.41Å; F2093-V2146 HydrophobicContact CE2-CG2 3.94Å; F2093-V2146 HydrophobicContact CZ-CG2 4.31Å; V2095-V2146 HydrophobicContact CG1-CG1 4.34Å; V2095-V2146 HydrophobicContact CG2-CG1 4.2Å; L2105-V2146 HydrophobicContact CD1-CG1 3.85Å; V2107-V2146 HydrophobicContact CG1-CG2 4.34Å; V2107-V2146 HydrophobicContact CG2-CG1 4.32Å; V2107-V2146 HydrophobicContact CG2-CG2 4.35Å; V2144-V2146 HydrophobicContact CG1-CG2 3.98Å; V2144-V2146 PolarHBondContact O-N 3.05Å; V2146-V2153 HydrophobicContact CB-CG2 3.72Å; V2146-V2153 HydrophobicContact CG1-CG1 4.19Å; V2146-V2153 HydrophobicContact CG1-CG2 3.74Å; V2146-V2153 PolarHBondContact O-N 2.8Å; V2146-S2156 PolarHBondContact N-OG 3.21Å; V2146-S2156 WeakPolarHBondContact O-CB 3.36Å; V2146-S2156 PolarHBondContact O-OG 2.85Å; V2146-F2158 HydrophobicContact CB-CE2 4.36Å; V2146-F2158 HydrophobicContact CG2-CD2 4.39Å; V2146-F2158 HydrophobicContact CG2-CE2 4.05Å |
| 2147 | K | 88.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 23% | 0.226 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141 | -178.4 | -60.1 | -170.4 | 177.9 | -137 | 0 | 112 | L2105 A2106 E2151 H2152 | L2105-K2147 WeakPolarHBondContact CA-O 3.3Å; A2106-K2147 HydrophobicContact CB-CB 4.45Å; A2106-K2147 PolarHBondContact N-O 2.91Å; A2106-K2147 PolarHBondContact O-N 3.49Å; K2147-E2151 CarbonylContact C-O 3.47Å; K2147-E2151 WeakPolarHBondContact CA-O 3.3Å; K2147-E2151 VanDerWaalsContact CB-O 3.28Å; K2147-E2151 WeakPolarHBondContact CB-O 3.48Å; K2147-H2152 WeakPolarHBondContact CE-CE1 3.44Å; K2147-H2152 WeakPolarHBondContact CE-NE2 3.42Å; K2147-H2152 PolarHBondContact NZ-CD2 3.1Å; K2147-H2152 VanDerWaalsContact NZ-CD2 3.33Å; K2147-H2152 PolarHBondContact NZ-NE2 2.99Å |
| 2148 | W | 87.5 | Confident | 85.9 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.2 | 172.8 | -173.3 | -115.1 | 0 | 0 | 0 | 109.2 | V2071 V2074 T2097 A2100 G2103 Q2104 L2105 G2150 E2151 V2153 | V2071-W2148 HydrophobicContact CG2-CB 4.5Å; V2074-W2148 HydrophobicContact CG2-CB 3.84Å; V2074-W2148 HydrophobicContact CG2-CD2 4.03Å; V2074-W2148 HydrophobicContact CG2-CG 3.61Å; T2097-W2148 HydrophobicContact CG2-CE3 4.01Å; T2097-W2148 HydrophobicContact CG2-CH2 3.77Å; T2097-W2148 HydrophobicContact CG2-CZ2 4.35Å; T2097-W2148 HydrophobicContact CG2-CZ3 3.58Å; A2100-W2148 PolarHBondContact O-NE1 2.95Å; G2103-W2148 VanDerWaalsContact N-CZ2 3.31Å; G2103-W2148 WeakPolarHBondContact O-CH2 3.2Å; G2103-W2148 WeakPolarHBondContact O-CZ3 3.5Å; Q2104-W2148 WeakPolarHBondContact O-CA 3.2Å; L2105-W2148 HydrophobicContact CB-CE3 3.97Å; L2105-W2148 HydrophobicContact CB-CZ3 3.95Å; W2148-G2150 PolarHBondContact O-N 3.35Å; W2148-E2151 PolarHBondContact N-O 2.68Å; W2148-E2151 PolarHBondContact O-N 2.62Å; W2148-E2151 VanDerWaalsContact O-N 3.16Å; W2148-V2153 HydrophobicContact CB-CG1 3.93Å |
| 2149 | A | 81.9 | Confident | 86 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 9.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | P2069 Q2104 | P2069-A2149 HydrophobicContact CB-CB 3.62Å; P2069-A2149 HydrophobicContact CG-CB 3.52Å; Q2104-A2149 PolarHBondContact O-N 2.6Å |
| 2150 | G | 79.4 | Confident | 86.1 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.2 | -17.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W2148 | W2148-G2150 PolarHBondContact O-N 3.35Š|
| 2151 | E | 81.3 | Confident | 86.1 | Confident | 136 Ų | 136 | 46.1 Ų | 46.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 153.4 | -179.3 | -69.7 | 175.9 | -168.2 | 0 | 0 | 111.5 | V2071 K2147 W2148 | V2071-E2151 HydrophobicContact CG1-CB 4.31Å; V2071-E2151 HydrophobicContact CG2-CB 4.01Å; K2147-E2151 CarbonylContact C-O 3.47Å; K2147-E2151 WeakPolarHBondContact CA-O 3.3Å; K2147-E2151 VanDerWaalsContact CB-O 3.28Å; K2147-E2151 WeakPolarHBondContact CB-O 3.48Å; W2148-E2151 PolarHBondContact N-O 2.68Å; W2148-E2151 PolarHBondContact O-N 2.62Å; W2148-E2151 VanDerWaalsContact O-N 3.16Å |
| 2152 | H | 84.7 | Confident | 86.2 | Confident | 71 Ų | 71 | 41.5 Ų | 41.5 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.6 | 177.7 | -78.7 | -86.4 | 0 | 0 | 0 | 111.1 | V2071 K2147 S2156 | V2071-H2152 WeakPolarHBondContact CG1-O 3.35Å; K2147-H2152 WeakPolarHBondContact CE-CE1 3.44Å; K2147-H2152 WeakPolarHBondContact CE-NE2 3.42Å; K2147-H2152 PolarHBondContact NZ-CD2 3.1Å; K2147-H2152 VanDerWaalsContact NZ-CD2 3.33Å; K2147-H2152 PolarHBondContact NZ-NE2 2.99Å; H2152-S2156 WeakPolarHBondContact CB-O 3.27Å; H2152-S2156 PolarHBondContact ND1-OG 3.24Å; H2152-S2156 VanDerWaalsContact ND1-OG 3.1Å |
| 2153 | V | 89.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 162.5 | 171 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | V2071 V2074 V2076 V2146 W2148 G2155 S2156 F2158 | V2071-V2153 HydrophobicContact CG1-CG1 4.29Å; V2074-V2153 HydrophobicContact CB-CB 4.14Å; V2074-V2153 HydrophobicContact CB-CG1 3.69Å; V2074-V2153 HydrophobicContact CG1-CB 4.25Å; V2074-V2153 HydrophobicContact CG1-CG1 3.66Å; V2074-V2153 HydrophobicContact CG2-CG1 4.26Å; V2076-V2153 HydrophobicContact CG2-CG2 3.57Å; V2146-V2153 HydrophobicContact CB-CG2 3.72Å; V2146-V2153 HydrophobicContact CG1-CG1 4.19Å; V2146-V2153 HydrophobicContact CG1-CG2 3.74Å; V2146-V2153 PolarHBondContact O-N 2.8Å; W2148-V2153 HydrophobicContact CB-CG1 3.93Å; V2153-G2155 PolarHBondContact O-N 3.42Å; V2153-S2156 VanDerWaalsContact O-CB 3.29Å; V2153-S2156 WeakPolarHBondContact O-CB 3.42Å; V2153-S2156 PolarHBondContact O-N 2.88Å; V2153-F2158 HydrophobicContact CG2-CE2 4.43Å |
| 2154 | L | 79 | Confident | 85.9 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 130.7 | -179.9 | -67.3 | 174.1 | 0 | 0 | 0 | 111.2 | T2072 S2156 F2158 | T2072-L2154 WeakPolarHBondContact O-CD1 3.24Å; L2154-S2156 VanDerWaalsContact C-N 3.33Å; L2154-F2158 WeakPolarHBondContact O-CZ 3.47Å |
| 2155 | G | 78.6 | Confident | 85.3 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -12.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V2153 P2157 F2158 | V2153-G2155 PolarHBondContact O-N 3.42Å; G2155-P2157 CarbonylContact O-C 3.59Å; G2155-F2158 VanDerWaalsContact C-CE1 3.45Å; G2155-F2158 VanDerWaalsContact O-CD1 3.26Å; G2155-F2158 WeakPolarHBondContact O-CD1 3.38Å; G2155-F2158 WeakPolarHBondContact O-CE1 3.39Å; G2155-F2158 WeakPolarHBondContact O-CG 3.46Å; G2155-F2158 PolarHBondContact O-N 3.43Å |
| 2156 | S | 90 | Very high | 85 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 141.7 | 179.8 | -167.4 | 0 | 0 | 0 | 0 | 113 | V2144 V2146 H2152 V2153 L2154 | V2144-S2156 PolarHBondContact O-OG 2.8Å; V2146-S2156 PolarHBondContact N-OG 3.21Å; V2146-S2156 WeakPolarHBondContact O-CB 3.36Å; V2146-S2156 PolarHBondContact O-OG 2.85Å; H2152-S2156 WeakPolarHBondContact CB-O 3.27Å; H2152-S2156 PolarHBondContact ND1-OG 3.24Å; H2152-S2156 VanDerWaalsContact ND1-OG 3.1Å; V2153-S2156 VanDerWaalsContact O-CB 3.29Å; V2153-S2156 WeakPolarHBondContact O-CB 3.42Å; V2153-S2156 PolarHBondContact O-N 2.88Å; L2154-S2156 VanDerWaalsContact C-N 3.33Å |
| 2157 | P | 83.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 58 Ų | 58 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | S | Bend | cis | -70.5 | 129.1 | -3.1 | 29.2 | -33.7 | 0 | 0 | 0 | 113 | I2143 V2144 E2145 G2155 | I2143-P2157 HydrophobicContact CG2-CB 3.68Å; V2144-P2157 WeakPolarHBondContact O-CA 3.3Å; E2145-P2157 HydrophobicContact CG-CB 4.37Å; G2155-P2157 CarbonylContact O-C 3.59Å |
| 2158 | F | 87.8 | Confident | 83.8 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.5 | 174.4 | -52.4 | -93 | 0 | 0 | 0 | 108.6 | V2076 V2081 I2143 V2144 V2146 V2153 L2154 G2155 | V2076-F2158 HydrophobicContact CB-CE2 4.04Å; V2076-F2158 HydrophobicContact CB-CZ 3.68Å; V2076-F2158 HydrophobicContact CG1-CE2 3.87Å; V2076-F2158 HydrophobicContact CG1-CZ 3.87Å; V2076-F2158 HydrophobicContact CG2-CE2 4.27Å; V2076-F2158 HydrophobicContact CG2-CZ 4.2Å; V2081-F2158 HydrophobicContact CB-CB 4.37Å; V2081-F2158 HydrophobicContact CB-CD1 4.23Å; V2081-F2158 HydrophobicContact CB-CG 4.16Å; V2081-F2158 HydrophobicContact CG1-CB 4.44Å; V2081-F2158 HydrophobicContact CG1-CD2 4.06Å; V2081-F2158 HydrophobicContact CG1-CG 4.1Å; I2143-F2158 WeakPolarHBondContact CA-O 3.43Å; V2144-F2158 HydrophobicContact CB-CB 4.2Å; V2144-F2158 HydrophobicContact CB-CD2 4.37Å; V2144-F2158 HydrophobicContact CG1-CD2 4.44Å; V2144-F2158 PolarHBondContact N-O 2.57Å; V2144-F2158 PolarHBondContact O-N 3.24Å; V2146-F2158 HydrophobicContact CB-CE2 4.36Å; V2146-F2158 HydrophobicContact CG2-CD2 4.39Å; V2146-F2158 HydrophobicContact CG2-CE2 4.05Å; V2153-F2158 HydrophobicContact CG2-CE2 4.43Å; L2154-F2158 WeakPolarHBondContact O-CZ 3.47Å; G2155-F2158 VanDerWaalsContact C-CE1 3.45Å; G2155-F2158 VanDerWaalsContact O-CD1 3.26Å; G2155-F2158 WeakPolarHBondContact O-CD1 3.38Å; G2155-F2158 WeakPolarHBondContact O-CE1 3.39Å; G2155-F2158 WeakPolarHBondContact O-CG 3.46Å; G2155-F2158 PolarHBondContact O-N 3.43Å |
| 2159 | L | 86 | Confident | 83.5 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 99.2 | 175.5 | -173.4 | 76.6 | 0 | 0 | 0 | 109 | H2083 Y2142 I2143 | H2083-L2159 PolarHBondContact CE1-O 3Å; Y2142-L2159 CarbonylContact O-C 3.45Å; I2143-L2159 HydrophobicContact CG1-CD1 4.17Å |
| 2160 | V | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.2 | 177.9 | 168 | 0 | 0 | 0 | 0 | 108.5 | E2082 F2089 Y2142 V2144 I2162 | E2082-V2160 VanDerWaalsContact O-CG1 3.3Å; E2082-V2160 WeakPolarHBondContact O-CG1 3.19Å; F2089-V2160 HydrophobicContact CE2-CG1 4.19Å; F2089-V2160 HydrophobicContact CZ-CG1 3.88Å; Y2142-V2160 WeakPolarHBondContact CA-O 3.1Å; Y2142-V2160 WeakPolarHBondContact CB-O 3.5Å; Y2142-V2160 PolarHBondContact N-O 2.92Å; Y2142-V2160 PolarHBondContact O-N 3.12Å; V2144-V2160 HydrophobicContact CG2-CG2 4.2Å; V2160-I2162 HydrophobicContact CG1-CD1 4.19Å; V2160-I2162 HydrophobicContact CG1-CG1 3.79Å |
| 2161 | V | 83.7 | Confident | 83 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.5 | 172 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | H2083 G2084 F2163 F2172 | H2083-V2161 WeakPolarHBondContact CA-O 3.17Å; H2083-V2161 WeakPolarHBondContact ND1-CB 3.44Å; H2083-V2161 PolarHBondContact ND1-N 2.84Å; H2083-V2161 VanDerWaalsContact ND1-N 3.11Å; G2084-V2161 PolarHBondContact N-O 3.49Å; V2161-F2163 HydrophobicContact CB-CE2 3.94Å; V2161-F2163 HydrophobicContact CB-CZ 3.93Å; V2161-F2163 HydrophobicContact CG1-CD1 4.49Å; V2161-F2163 HydrophobicContact CG1-CD2 4.42Å; V2161-F2163 HydrophobicContact CG1-CE1 3.79Å; V2161-F2163 HydrophobicContact CG1-CE2 3.71Å; V2161-F2163 HydrophobicContact CG1-CZ 3.35Å; V2161-F2172 HydrophobicContact CG2-CE2 4.28Å; V2161-F2172 HydrophobicContact CG2-CZ 4.03Å |
| 2162 | I | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.9 | 179 | -56.6 | -175.1 | 0 | 0 | 0 | 108 | G2084 L2086 F2089 P2136 Q2139 G2140 Y2142 V2160 | G2084-I2162 WeakPolarHBondContact O-CA 3.49Å; L2086-I2162 HydrophobicContact CB-CG2 3.83Å; L2086-I2162 HydrophobicContact CD1-CG2 4.02Å; F2089-I2162 HydrophobicContact CD1-CD1 4.1Å; F2089-I2162 HydrophobicContact CD2-CD1 4.2Å; F2089-I2162 HydrophobicContact CD2-CG1 4.3Å; F2089-I2162 HydrophobicContact CE1-CD1 4.07Å; F2089-I2162 HydrophobicContact CE2-CD1 4.2Å; F2089-I2162 HydrophobicContact CE2-CG1 4.2Å; F2089-I2162 HydrophobicContact CG-CD1 4.16Å; F2089-I2162 HydrophobicContact CZ-CD1 4.14Å; P2136-I2162 HydrophobicContact CB-CD1 3.41Å; P2136-I2162 VanDerWaalsContact CB-CD1 3.41Å; P2136-I2162 HydrophobicContact CG-CD1 3.6Å; Q2139-I2162 CarbonylContact C-O 3.5Å; Q2139-I2162 VanDerWaalsContact CA-O 3.28Å; Q2139-I2162 WeakPolarHBondContact CA-O 3.48Å; Q2139-I2162 WeakPolarHBondContact CB-O 3.41Å; G2140-I2162 PolarHBondContact N-O 2.78Å; G2140-I2162 PolarHBondContact O-N 2.97Å; Y2142-I2162 HydrophobicContact CD2-CB 4.36Å; Y2142-I2162 HydrophobicContact CD2-CD1 3.81Å; Y2142-I2162 HydrophobicContact CD2-CG1 3.93Å; Y2142-I2162 HydrophobicContact CE2-CB 4.16Å; Y2142-I2162 HydrophobicContact CE2-CD1 3.77Å; Y2142-I2162 HydrophobicContact CE2-CG1 4.09Å; Y2142-I2162 HydrophobicContact CG-CD1 4.34Å; V2160-I2162 HydrophobicContact CG1-CD1 4.19Å; V2160-I2162 HydrophobicContact CG1-CG1 3.79Å |
| 2163 | F | 85.9 | Confident | 82.3 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 11% | 0.114 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154.6 | -177.4 | -59.8 | -84.7 | 0 | 0 | 0 | 111.3 | G2084 V2085 L2086 V2161 T2165 E2168 L2169 F2172 | G2084-F2163 PolarHBondContact O-N 3.1Å; V2085-F2163 CarbonylContact C-O 3.56Å; V2085-F2163 VanDerWaalsContact CA-O 3.31Å; V2085-F2163 WeakPolarHBondContact CA-O 3.4Å; L2086-F2163 PolarHBondContact N-O 2.99Å; V2161-F2163 HydrophobicContact CB-CE2 3.94Å; V2161-F2163 HydrophobicContact CB-CZ 3.93Å; V2161-F2163 HydrophobicContact CG1-CD1 4.49Å; V2161-F2163 HydrophobicContact CG1-CD2 4.42Å; V2161-F2163 HydrophobicContact CG1-CE1 3.79Å; V2161-F2163 HydrophobicContact CG1-CE2 3.71Å; V2161-F2163 HydrophobicContact CG1-CZ 3.35Å; F2163-T2165 VanDerWaalsContact C-N 3.31Å; F2163-E2168 HydrophobicContact CB-CB 3.97Å; F2163-E2168 HydrophobicContact CD1-CB 3.63Å; F2163-E2168 HydrophobicContact CE1-CB 4.44Å; F2163-E2168 HydrophobicContact CG-CB 3.99Å; F2163-L2169 HydrophobicContact CD2-CB 3.77Å; F2163-L2169 HydrophobicContact CD2-CD1 3.75Å; F2163-L2169 HydrophobicContact CD2-CG 4.37Å; F2163-L2169 HydrophobicContact CE2-CB 4.34Å; F2163-L2169 HydrophobicContact CE2-CD1 3.75Å; F2163-L2169 HydrophobicContact CG-CB 4.35Å; F2163-F2172 HydrophobicContact CE1-CB 4.22Å; F2163-F2172 HydrophobicContact CE2-CB 3.99Å; F2163-F2172 HydrophobicContact CE2-CD1 4.28Å; F2163-F2172 HydrophobicContact CE2-CG 4.08Å; F2163-F2172 HydrophobicContact CZ-CB 3.47Å; F2163-F2172 VanDerWaalsContact CZ-CB 3.47Å; F2163-F2172 HydrophobicContact CZ-CD1 4.13Å; F2163-F2172 AromaticContact CZ-CD2 3.77Å; F2163-F2172 HydrophobicContact CZ-CD2 3.77Å; F2163-F2172 AromaticContact CZ-CG 3.53Å; F2163-F2172 HydrophobicContact CZ-CG 3.53Å |
| 2164 | D | 82.3 | Confident | 81.3 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70 | -29.1 | 171.8 | -82 | -8.9 | 0 | 0 | 0 | 111.8 | V2085 Q2139 | V2085-D2164 WeakPolarHBondContact CG1-O 3.15Å; Q2139-D2164 WeakPolarHBondContact CB-OD1 3.25Å; Q2139-D2164 HydrophobicContact CG-CB 4.47Å; Q2139-D2164 VanDerWaalsContact CG-OD1 3.32Å; Q2139-D2164 WeakPolarHBondContact CG-OD1 3.49Å; Q2139-D2164 PolarHBondContact NE2-OD2 3.41Å |
| 2165 | T | 81.1 | Confident | 79.8 | Confident | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -131.9 | 152.7 | -178.5 | 76.2 | 0 | 0 | 0 | 0 | 115.2 | F2163 Q2167 E2168 L2169 | F2163-T2165 VanDerWaalsContact C-N 3.31Å; T2165-Q2167 PolarHBondContact O-N 2.96Å; T2165-Q2167 PolarHBondContact OG1-N 3.24Å; T2165-E2168 WeakPolarHBondContact CB-OE2 3.43Å; T2165-E2168 PolarHBondContact N-OE2 3.41Å; T2165-E2168 PolarHBondContact O-N 2.73Å; T2165-E2168 VanDerWaalsContact OG1-CD 3.3Å; T2165-E2168 WeakPolarHBondContact OG1-CG 3.24Å; T2165-E2168 PolarHBondContact OG1-N 2.77Å; T2165-E2168 PolarHBondContact OG1-OE2 2.76Å; T2165-L2169 PolarHBondContact O-N 3.11Å |
| 2166 | Y | 83.4 | Confident | 78.1 | Confident | 131 Ų | 131 | 71 Ų | 71 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.7 | -28.7 | 171 | -81 | -87 | 0 | 0 | 0 | 113.2 | V2085 T2088 E2168 L2169 D2170 | V2085-Y2166 HydrophobicContact CB-CD2 4.17Å; V2085-Y2166 HydrophobicContact CB-CE2 4.01Å; V2085-Y2166 HydrophobicContact CG1-CD2 4.08Å; V2085-Y2166 HydrophobicContact CG1-CE2 4.15Å; V2085-Y2166 HydrophobicContact CG2-CD1 3.81Å; V2085-Y2166 HydrophobicContact CG2-CD2 3.77Å; V2085-Y2166 HydrophobicContact CG2-CE1 4.02Å; V2085-Y2166 HydrophobicContact CG2-CE2 3.97Å; V2085-Y2166 HydrophobicContact CG2-CG 3.68Å; T2088-Y2166 HydrophobicContact CG2-CE2 4.36Å; T2088-Y2166 PolarHBondContact OG1-OH 2.83Å; Y2166-E2168 VanDerWaalsContact C-N 3.32Å; Y2166-E2168 PolarHBondContact O-N 2.78Å; Y2166-L2169 PolarHBondContact O-N 2.94Å; Y2166-D2170 WeakPolarHBondContact O-CB 3.37Å; Y2166-D2170 PolarHBondContact O-N 3.26Å |
| 2167 | Q | 78.5 | Confident | 75.3 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.9 | -28 | 179.3 | -65.5 | -172.4 | 4.8 | 0 | 0 | 112.8 | T2165 R2171 | T2165-Q2167 PolarHBondContact O-N 2.96Å; T2165-Q2167 PolarHBondContact OG1-N 3.24Å; Q2167-R2171 WeakPolarHBondContact O-CD 3.47Å; Q2167-R2171 VanDerWaalsContact O-CG 3.23Å; Q2167-R2171 WeakPolarHBondContact O-CG 3.23Å; Q2167-R2171 PolarHBondContact O-N 2.87Å |
| 2168 | E | 78.2 | Confident | 72.9 | Confident | 70 Ų | 70 | 79.8 Ų | 79.8 | 33% | 0.327 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -80 | -39.9 | 176.2 | -68.1 | 154.8 | 138 | 0 | 0 | 110.6 | F2163 T2165 Y2166 R2171 F2172 | F2163-E2168 HydrophobicContact CB-CB 3.97Å; F2163-E2168 HydrophobicContact CD1-CB 3.63Å; F2163-E2168 HydrophobicContact CE1-CB 4.44Å; F2163-E2168 HydrophobicContact CG-CB 3.99Å; T2165-E2168 WeakPolarHBondContact CB-OE2 3.43Å; T2165-E2168 PolarHBondContact N-OE2 3.41Å; T2165-E2168 PolarHBondContact O-N 2.73Å; T2165-E2168 VanDerWaalsContact OG1-CD 3.3Å; T2165-E2168 WeakPolarHBondContact OG1-CG 3.24Å; T2165-E2168 PolarHBondContact OG1-N 2.77Å; T2165-E2168 PolarHBondContact OG1-OE2 2.76Å; Y2166-E2168 VanDerWaalsContact C-N 3.32Å; Y2166-E2168 PolarHBondContact O-N 2.78Å; E2168-R2171 PolarHBondContact O-N 3.48Å; E2168-F2172 PolarHBondContact O-N 2.88Å |
| 2169 | L | 81.4 | Confident | 70 | Confident | 15 Ų | 15 | 84.2 Ų | 84.2 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 170.5 | 179.9 | 64.3 | 0 | 0 | 0 | 112 | H2083 V2085 F2163 T2165 Y2166 R2171 F2172 L2173 | H2083-L2169 HydrophobicContact CB-CD1 3.6Å; V2085-L2169 HydrophobicContact CG2-CB 4.16Å; V2085-L2169 HydrophobicContact CG2-CD2 3.84Å; F2163-L2169 HydrophobicContact CD2-CB 3.77Å; F2163-L2169 HydrophobicContact CD2-CD1 3.75Å; F2163-L2169 HydrophobicContact CD2-CG 4.37Å; F2163-L2169 HydrophobicContact CE2-CB 4.34Å; F2163-L2169 HydrophobicContact CE2-CD1 3.75Å; F2163-L2169 HydrophobicContact CG-CB 4.35Å; T2165-L2169 PolarHBondContact O-N 3.11Å; Y2166-L2169 PolarHBondContact O-N 2.94Å; L2169-R2171 VanDerWaalsContact C-N 3.3Å; L2169-R2171 PolarHBondContact O-N 2.7Å; L2169-F2172 PolarHBondContact O-N 3.49Å; L2169-F2172 VanDerWaalsContact O-N 3.16Å; L2169-L2173 HydrophobicContact CD1-CD1 3.83Å; L2169-L2173 HydrophobicContact CD1-CG 3.97Å; L2169-L2173 HydrophobicContact CD2-CD1 4.48Å; L2169-L2173 HydrophobicContact CG-CD1 3.83Å; L2169-L2173 HydrophobicContact CG-CG 4.32Å; L2169-L2173 WeakPolarHBondContact O-CB 3.19Å; L2169-L2173 WeakPolarHBondContact O-CG 3.26Å; L2169-L2173 PolarHBondContact O-N 2.67Å |
| 2170 | D | 78 | Confident | 67.4 | Low | 102 Ų | 102 | 85.4 Ų | 85.4 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 176.6 | -83.2 | -18.2 | 0 | 0 | 0 | 112 | Y2166 S2174 | Y2166-D2170 WeakPolarHBondContact O-CB 3.37Å; Y2166-D2170 PolarHBondContact O-N 3.26Å; D2170-S2174 WeakPolarHBondContact O-CB 3.12Å; D2170-S2174 PolarHBondContact O-N 2.83Å; D2170-S2174 PolarHBondContact O-OG 3.21Å |
| 2171 | R | 74.1 | Confident | 64.4 | Low | 183 Ų | 183 | 94 Ų | 94 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -37.9 | 175.2 | -78.2 | 172.2 | -178.8 | -176.2 | 3.6 | 112.5 | Q2167 E2168 L2169 S2174 | Q2167-R2171 WeakPolarHBondContact O-CD 3.47Å; Q2167-R2171 VanDerWaalsContact O-CG 3.23Å; Q2167-R2171 WeakPolarHBondContact O-CG 3.23Å; Q2167-R2171 PolarHBondContact O-N 2.87Å; E2168-R2171 PolarHBondContact O-N 3.48Å; L2169-R2171 VanDerWaalsContact C-N 3.3Å; L2169-R2171 PolarHBondContact O-N 2.7Å; R2171-S2174 PolarHBondContact O-OG 2.78Å |
| 2172 | F | 76.1 | Confident | 62.2 | Low | 96 Ų | 96 | 98.5 Ų | 98.5 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -50.8 | 175.9 | -178 | -93.7 | 0 | 0 | 0 | 111.4 | H2083 V2161 F2163 E2168 L2169 S2174 G2175 | H2083-F2172 AromaticContact CD2-CE1 3.99Å; H2083-F2172 AromaticContact CE1-CE1 3.39Å; H2083-F2172 WeakPolarHBondContact CE1-CE1 3.47Å; H2083-F2172 AromaticContact CE1-CZ 3.71Å; H2083-F2172 AromaticContact CG-CE1 3.87Å; H2083-F2172 AromaticContact ND1-CE1 3.46Å; H2083-F2172 WeakPolarHBondContact ND1-CE1 3.23Å; H2083-F2172 AromaticContact NE2-CE1 3.7Å; V2161-F2172 HydrophobicContact CG2-CE2 4.28Å; V2161-F2172 HydrophobicContact CG2-CZ 4.03Å; F2163-F2172 HydrophobicContact CE1-CB 4.22Å; F2163-F2172 HydrophobicContact CE2-CB 3.99Å; F2163-F2172 HydrophobicContact CE2-CD1 4.28Å; F2163-F2172 HydrophobicContact CE2-CG 4.08Å; F2163-F2172 HydrophobicContact CZ-CB 3.47Å; F2163-F2172 VanDerWaalsContact CZ-CB 3.47Å; F2163-F2172 HydrophobicContact CZ-CD1 4.13Å; F2163-F2172 AromaticContact CZ-CD2 3.77Å; F2163-F2172 HydrophobicContact CZ-CD2 3.77Å; F2163-F2172 AromaticContact CZ-CG 3.53Å; F2163-F2172 HydrophobicContact CZ-CG 3.53Å; E2168-F2172 PolarHBondContact O-N 2.88Å; L2169-F2172 PolarHBondContact O-N 3.49Å; L2169-F2172 VanDerWaalsContact O-N 3.16Å; F2172-S2174 VanDerWaalsContact C-N 3.32Å; F2172-S2174 PolarHBondContact O-N 2.92Å; F2172-G2175 PolarHBondContact O-N 3.36Å |
| 2173 | L | 74 | Confident | 59.5 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -27.4 | -178.2 | -66.2 | 177.3 | 0 | 0 | 0 | 113.7 | L2169 G2175 | L2169-L2173 HydrophobicContact CD1-CD1 3.83Å; L2169-L2173 HydrophobicContact CD1-CG 3.97Å; L2169-L2173 HydrophobicContact CD2-CD1 4.48Å; L2169-L2173 HydrophobicContact CG-CD1 3.83Å; L2169-L2173 HydrophobicContact CG-CG 4.32Å; L2169-L2173 WeakPolarHBondContact O-CB 3.19Å; L2169-L2173 WeakPolarHBondContact O-CG 3.26Å; L2169-L2173 PolarHBondContact O-N 2.67Å; L2173-G2175 VanDerWaalsContact C-N 3.34Å |
| 2174 | S | 68.9 | Low | 56.8 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -7.3 | 178.5 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | D2170 R2171 F2172 V2176 | D2170-S2174 WeakPolarHBondContact O-CB 3.12Å; D2170-S2174 PolarHBondContact O-N 2.83Å; D2170-S2174 PolarHBondContact O-OG 3.21Å; R2171-S2174 PolarHBondContact O-OG 2.78Å; F2172-S2174 VanDerWaalsContact C-N 3.32Å; F2172-S2174 PolarHBondContact O-N 2.92Å; S2174-V2176 PolarHBondContact O-N 3.09Å; S2174-V2176 VanDerWaalsContact O-N 3.16Å |
| 2175 | G | 47.7 | Very low | 54.3 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 20.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F2172 L2173 N2177 | F2172-G2175 PolarHBondContact O-N 3.36Å; L2173-G2175 VanDerWaalsContact C-N 3.34Å; G2175-N2177 PolarHBondContact O-N 3.28Å |
| 2176 | V | 41.9 | Very low | 51.8 | Low | 116 Ų | 116 | 117 Ų | 117 | 70% | 0.703 | 63% | 0.625 | S | S | * | * | trans | -79.6 | 105.9 | -173.4 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | S2174 | S2174-V2176 PolarHBondContact O-N 3.09Å; S2174-V2176 VanDerWaalsContact O-N 3.16Å | ||
| 2177 | N | 32.9 | Very low | 49.3 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | trans | -32 | 125.8 | 177.9 | -82.7 | -78.1 | 0 | 0 | 0 | 117 | G2175 N2179 | G2175-N2177 PolarHBondContact O-N 3.28Å; N2177-N2179 HydrophobicContact CB-CB 4.19Å | ||
| 2178 | V | 31 | Very low | 47.4 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 87% | 0.873 | 64% | 0.637 | S | S | * | * | trans | -93 | 105.8 | 145.9 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 2179 | N | 27.9 | Very low | 45 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | trans | -123.3 | 99.8 | -171.6 | -171.5 | -2.7 | 0 | 0 | 0 | 111.9 | N2177 | N2177-N2179 HydrophobicContact CB-CB 4.19Š| ||
| 2180 | T | 31.9 | Very low | 42.4 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 77% | 0.767 | 69% | 0.689 | S | S | * | * | trans | -137.4 | 97.5 | 170 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2181 | Q | 26.2 | Very low | 40.1 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | 24.5 | 156.5 | 125.4 | -88.7 | -153 | -13.3 | 0 | 0 | 122 | |||||
| 2182 | P | 37.1 | Very low | 38.2 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | -124.8 | 173.5 | -120.5 | 43.4 | -33.7 | 0 | 0 | 0 | 114.9 | |||||
| 2183 | T | 30.2 | Very low | 36.1 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 73% | 0.725 | S | S | * | * | trans | -150.8 | 99.9 | 156.4 | 7.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2184 | M | 30 | Very low | 34.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | trans | -61.4 | 150.3 | 138.2 | -87.1 | -98.7 | -80.6 | 0 | 0 | 107.8 | ||||
| 2185 | P | 30.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | -155.6 | -178.8 | 66 | 43.5 | -23.4 | 0 | 0 | 0 | 117.3 | |||||
| 2186 | F | 27.8 | Very low | 31.7 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | 44.3 | 134 | 139.8 | -80.8 | -132.5 | 0 | 0 | 0 | 119.2 | P2188 | F2186-P2188 HydrophobicContact CD1-CG 4.48Å; F2186-P2188 HydrophobicContact CE1-CG 4.38Å | ||
| 2187 | F | 31.4 | Very low | 31.2 | Very low | 207 Ų | 207 | 135.6 Ų | 135.6 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | cis | -132.4 | 127.9 | 49.9 | -76.6 | -96.3 | 0 | 0 | 0 | 115.8 | ||||
| 2188 | P | 38.3 | Very low | 31.1 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 50% | 0.5 | 77% | 0.769 | S | S | . | * | trans | -91.3 | -164.3 | 133 | 39 | -29.8 | 0 | 0 | 0 | 109.5 | F2186 | F2186-P2188 HydrophobicContact CD1-CG 4.48Å; F2186-P2188 HydrophobicContact CE1-CG 4.38Å | ||
| 2189 | P | 27.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | -102.1 | 161.5 | -59.4 | 37.6 | -28.9 | 0 | 0 | 0 | 112.4 | |||||
| 2190 | G | 26.9 | Very low | 31.7 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 127.6 | 116.1 | -179 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2191 | W | 29.5 | Very low | 31.6 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | 53.4 | 127 | 84.7 | -81.5 | 67 | 0 | 0 | 0 | 112.5 | |||||
| 2192 | V | 35.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | cis | -143.7 | 137.1 | 41.6 | 179.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2193 | G | 31.9 | Very low | 31.9 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 146.4 | 154 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2194 | Q | 34 | Very low | 31.8 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | cis | -121.1 | 139.6 | -9.7 | -94.5 | -167.6 | -39.4 | 0 | 0 | 110.6 | ||||
| 2195 | P | 31.4 | Very low | 31.8 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -102.9 | -97.5 | 173.4 | 14.4 | 5.7 | 0 | 0 | 0 | 116.1 | ||||
| 2196 | P | 31.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | trans | -91.1 | 160 | -131.9 | 40.9 | -38.8 | 0 | 0 | 0 | 114.2 | ||||
| 2197 | P | 32.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 134 Ų | 134 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | -145.9 | 143.6 | 87.8 | 37.2 | -21.1 | 0 | 0 | 0 | 115 | |||||
| 2198 | G | 29.8 | Very low | 31.9 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | 172.4 | 134.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2199 | M | 42 | Very low | 31.6 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -124.8 | 113.1 | 166.8 | -73.8 | -165.4 | -62.6 | 0 | 0 | 108.5 | ||||
| 2200 | F | 30.2 | Very low | 31.7 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -175.4 | 117.6 | 166.1 | -111.1 | -61.5 | 0 | 0 | 0 | 113.1 | ||||
| 2201 | L | 29.8 | Very low | 31.9 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | 155.7 | 142.1 | 118.9 | -85 | 174 | 0 | 0 | 0 | 112.5 | |||||
| 2202 | P | 39.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -100.5 | 159.1 | 173.4 | 38.7 | -33.1 | 0 | 0 | 0 | 112.6 | ||||
| 2203 | M | 29.6 | Very low | 32.3 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -176.6 | 153.1 | 141.3 | -103.6 | -70.4 | -147.3 | 0 | 0 | 112 | ||||
| 2204 | S | 28.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -47.6 | 131.9 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2205 | S | 30.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | 172.8 | 152.2 | 113.2 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2206 | A | 33 | Very low | 32.3 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -95.5 | 145.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 2207 | P | 31 | Very low | 32.2 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | -145.3 | -163.1 | 83.6 | 41.2 | -24.4 | 0 | 0 | 0 | 114.5 | |||||
| 2208 | L | 27.3 | Very low | 32 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -51.9 | 154.7 | -175.6 | -62.6 | 98.8 | 0 | 0 | 0 | 116.9 | ||||
| 2209 | F | 31.6 | Very low | 32 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 13.7 | 131.9 | 137.4 | -70 | -88.1 | 0 | 0 | 0 | 118.2 | ||||
| 2210 | P | 29.7 | Very low | 31.5 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | -139.1 | 172.7 | 78.4 | 29.7 | -10.6 | 0 | 0 | 0 | 115.7 | |||||
| 2211 | P | 30.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -82.4 | -157 | 170 | 42.3 | -41.2 | 0 | 0 | 0 | 109.3 | ||||
| 2212 | P | 28.4 | Very low | 31.8 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -139.6 | -177.8 | -3.4 | 40.8 | -20.2 | 0 | 0 | 0 | 115.8 | ||||
| 2213 | P | 46.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -64.6 | 169.8 | 147.8 | 33.6 | -38.9 | 0 | 0 | 0 | 110.5 | ||||
| 2214 | P | 36.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -159.1 | -160.4 | 41.4 | 43.7 | -19.6 | 0 | 0 | 0 | 117.2 | ||||
| 2215 | M | 29 | Very low | 31.3 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 86% | 0.862 | 74% | 0.74 | S | S | * | * | trans | 69.3 | 155 | 153.7 | -71.9 | 175.6 | -166.2 | 0 | 0 | 119 | ||||
| 2216 | S | 30.9 | Very low | 31.1 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | cis | -166 | 179.7 | -22.1 | 57.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2217 | P | 30.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | S | Bend | -143.2 | 157.7 | 90.7 | 36.4 | -20.5 | 0 | 0 | 0 | 115.6 | |||
| 2218 | T | 27.7 | Very low | 30.5 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 74.9 | 129.9 | -173.7 | 70.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2219 | S | 30.1 | Very low | 30.6 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | cis | -153.4 | 136.2 | -10.6 | -161.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2220 | M | 31.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | 54.1 | 119.9 | 155.7 | -65.2 | 174.1 | -165.4 | 0 | 0 | 121.9 | ||||
| 2221 | H | 33.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 71.1 | 156.8 | 132.2 | -65.7 | -13.2 | 0 | 0 | 0 | 119.6 | ||||
| 2222 | R | 32.5 | Very low | 30.6 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -167.7 | 149 | -20.8 | -114.4 | -173.8 | 168.5 | -174.8 | -1.2 | 110.6 | ||||
| 2223 | V | 31.3 | Very low | 31 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 68.1 | 151.3 | 139.7 | 171.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2224 | P | 31.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -120.8 | -169.2 | -172.2 | 43.6 | -28.5 | 0 | 0 | 0 | 114.4 | ||||
| 2225 | A | 24.4 | Very low | 30.1 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | 66.7 | 113.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2226 | I | 25.8 | Very low | 30 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 65.4 | 110.4 | 123.1 | -59.5 | 170.9 | 0 | 0 | 0 | 119.3 | |||||
| 2227 | M | 27.7 | Very low | 30 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | trans | 71 | 160.7 | 150.6 | -70.3 | -176.5 | -172.2 | 0 | 0 | 121.1 | ||||
| 2228 | Y | 24.5 | Very low | 29.8 | Very low | 234 Ų | 234 | 131.7 Ų | 131.7 | 92% | 0.918 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 123.8 | -170.6 | -61.6 | -78 | 0 | 0 | 0 | 115.2 | ||||
| 2229 | G | 28.8 | Very low | 29.8 | Very low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | -130.1 | 146.6 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2230 | S | 26.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | 58.9 | 103.4 | 88.9 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2231 | A | 31.9 | Very low | 29.7 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | 70 | 151.8 | 72.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2232 | P | 34.1 | Very low | 29.6 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -114.7 | -168.9 | 12.9 | 45.8 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 2233 | A | 35.2 | Very low | 29.5 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | -149.6 | 164 | 8.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2234 | S | 28.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 175.2 | 152.9 | -143.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2235 | P | 35.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | cis | -153.8 | -175.7 | 17.3 | 45.5 | -24.5 | 0 | 0 | 0 | 119.7 | ||||
| 2236 | Y | 26.9 | Very low | 29.6 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 71.6 | 142.6 | 140.4 | -79.8 | -52.8 | 0 | 0 | 0 | 124 | ||||
| 2237 | F | 31.1 | Very low | 29.8 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | trans | 60 | 148.7 | 165.3 | -63.7 | -76.2 | 0 | 0 | 0 | 119.1 | ||||
| 2238 | S | 27 | Very low | 30 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | cis | -169.4 | 158.8 | -37.3 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2239 | S | 28.6 | Very low | 30.3 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 126.4 | 143.8 | 65.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2240 | K | 28.1 | Very low | 30.4 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | 71.7 | 104.7 | 133.4 | -74.2 | -174.7 | 173.1 | -175 | 0 | 120.5 | ||||
| 2241 | A | 29.8 | Very low | 30.8 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 102.2 | 152 | 103.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 2242 | V | 31.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 60.5 | 95.8 | 174.9 | -160.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2243 | H | 31.9 | Very low | 30.4 | Very low | 248 Ų | 248 | 138.4 Ų | 138.4 | 100% | 1.148 | 77% | 0.774 | S | S | * | * | -148.4 | 0 | 61.6 | -134.8 | -48.8 | 0 | 0 | 0 | 115.8 |
Retrieved 2,243 of 2,243 residues in 730.5 ms
(Link to these results)