| 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 | 40.8 | Very low | 59.6 | Low | 199 Ų | 199 | 110.5 Ų | 110.5 | 98% | 0.98 | 57% | 0.565 | S | S | * | * | 0 | -111.9 | 0 | -60.4 | -41.9 | -155 | 0 | 0 | 112 | S3 V4 W5 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.28Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-V4 PolarHBondContact O-N 3.37Å; M1-W5 PolarHBondContact O-N 3.46Å | |||
| 2 | A | 50.6 | Low | 60.6 | Low | 74 Ų | 74 | 106.2 Ų | 106.2 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.8 | -20.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | K6 | A2-K6 WeakPolarHBondContact O-CG 3.47Å |
| 3 | S | 55.4 | Low | 62.6 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71 | -52.1 | 169.6 | 45.4 | 0 | 0 | 0 | 0 | 111.6 | M1 W5 K6 R7 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.28Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-W5 PolarHBondContact O-N 2.85Å; S3-K6 CarbonylContact O-C 3.57Å; S3-K6 PolarHBondContact O-N 3.35Å; S3-K6 VanDerWaalsContact O-N 3.1Å; S3-R7 PolarHBondContact O-N 2.91Å |
| 4 | V | 54.1 | Low | 64.4 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | -179.9 | -177 | 0 | 0 | 0 | 0 | 111.2 | M1 K6 R7 L8 | M1-V4 PolarHBondContact O-N 3.37Å; V4-K6 VanDerWaalsContact C-N 3.25Å; V4-K6 PolarHBondContact O-N 3.18Å; V4-R7 WeakPolarHBondContact O-CA 3.42Å; V4-R7 WeakPolarHBondContact O-CB 3.49Å; V4-R7 PolarHBondContact O-N 3.47Å; V4-L8 PolarHBondContact O-N 2.77Å |
| 5 | W | 58.4 | Low | 66.2 | Low | 174 Ų | 174 | 90.5 Ų | 90.5 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -34.1 | 178.1 | -157.3 | 69.9 | 0 | 0 | 0 | 112.3 | M1 S3 Q9 | M1-W5 PolarHBondContact O-N 3.46Å; S3-W5 PolarHBondContact O-N 2.85Å; W5-Q9 WeakPolarHBondContact O-CB 3.39Å; W5-Q9 PolarHBondContact O-N 2.87Å |
| 6 | K | 64.3 | Low | 67.8 | Low | 106 Ų | 106 | 84.8 Ų | 84.8 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -82.2 | -8.7 | 174.8 | -73.4 | 176.9 | 177.8 | 171.8 | 0 | 114.8 | A2 S3 V4 R10 | A2-K6 WeakPolarHBondContact O-CG 3.47Å; S3-K6 CarbonylContact O-C 3.57Å; S3-K6 PolarHBondContact O-N 3.35Å; S3-K6 VanDerWaalsContact O-N 3.1Å; V4-K6 VanDerWaalsContact C-N 3.25Å; V4-K6 PolarHBondContact O-N 3.18Å; K6-R10 PolarHBondContact O-NH2 3.4Å |
| 7 | R | 62.2 | Low | 69.3 | Low | 114 Ų | 114 | 82.1 Ų | 82.1 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -83.4 | -50.4 | 165.1 | -170.5 | -172.7 | -94.8 | 163.3 | -7.2 | 108.1 | S3 V4 Q9 R10 V11 D166 M169 | S3-R7 PolarHBondContact O-N 2.91Å; V4-R7 WeakPolarHBondContact O-CA 3.42Å; V4-R7 WeakPolarHBondContact O-CB 3.49Å; V4-R7 PolarHBondContact O-N 3.47Å; R7-Q9 VanDerWaalsContact C-N 3.32Å; R7-Q9 PolarHBondContact O-N 2.7Å; R7-R10 PolarHBondContact O-N 2.67Å; R7-V11 PolarHBondContact O-N 2.97Å; R7-D166 IonicContact CZ-OD1 2.68Å; R7-D166 IonicContact CZ-OD2 3.29Å; R7-D166 IonicContact NE-OD1 3.53Å; R7-D166 PolarHBondContact NE-OD1 3.02Å; R7-D166 IonicContact NH2-OD1 3.94Å; R7-D166 PolarHBondContact NH2-OD1 2.97Å; R7-D166 IonicContact NH2-OD2 2.7Å; R7-D166 PolarHBondContact NH2-OD2 2.99Å; R7-M169 HydrophobicContact CB-SD 4.34Å; R7-M169 HydrophobicContact CG-CB 4.32Å; R7-M169 HydrophobicContact CG-CE 3.73Å; R7-M169 HydrophobicContact CG-SD 3.46Å; R7-M169 WeakPolarHBondContact CG-SD 3.23Å |
| 8 | L | 63.9 | Low | 70.7 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 62% | 0.618 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -55.6 | -42.1 | 176.3 | -150.4 | 74 | 0 | 0 | 0 | 112.6 | V4 R10 V11 | V4-L8 PolarHBondContact O-N 2.77Å; L8-R10 PolarHBondContact O-N 2.86Å; L8-V11 PolarHBondContact O-N 3.43Å; L8-V11 VanDerWaalsContact O-N 3.11Å |
| 9 | Q | 65.8 | Low | 72 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 54% | 0.542 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -4.8 | 176 | -162.5 | 177.7 | 16.8 | 0 | 0 | 114.7 | W5 R7 K13 | W5-Q9 WeakPolarHBondContact O-CB 3.39Å; W5-Q9 PolarHBondContact O-N 2.87Å; R7-Q9 VanDerWaalsContact C-N 3.32Å; R7-Q9 PolarHBondContact O-N 2.7Å; Q9-K13 WeakPolarHBondContact O-CE 3.32Å |
| 10 | R | 71.3 | Confident | 73.2 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 1.2 | 173 | -57.2 | -160.9 | -155.2 | 97.1 | 37.3 | 114.3 | K6 R7 L8 G12 K13 F85 M169 | K6-R10 PolarHBondContact O-NH2 3.4Å; R7-R10 PolarHBondContact O-N 2.67Å; L8-R10 PolarHBondContact O-N 2.86Å; R10-G12 PolarHBondContact O-N 3.41Å; R10-K13 WeakPolarHBondContact O-CB 3.47Å; R10-K13 PolarHBondContact O-N 3.36Å; R10-F85 VanDerWaalsContact CD-CE1 3.5Å; R10-F85 VanDerWaalsContact CD-CE2 3.5Å; R10-F85 VanDerWaalsContact CD-CZ 3.47Å; R10-M169 HydrophobicContact CB-SD 4.2Å |
| 11 | V | 69 | Low | 74.3 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 130.4 | 171 | 175.9 | 0 | 0 | 0 | 0 | 108 | R7 L8 K13 | R7-V11 PolarHBondContact O-N 2.97Å; L8-V11 PolarHBondContact O-N 3.43Å; L8-V11 VanDerWaalsContact O-N 3.11Å; V11-K13 VanDerWaalsContact C-N 3.34Å; V11-K13 PolarHBondContact O-N 2.83Å |
| 12 | G | 70.9 | Confident | 76.8 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R10 P88 | R10-G12 PolarHBondContact O-N 3.41Å; G12-P88 VanDerWaalsContact O-CD 3.32Å; G12-P88 WeakPolarHBondContact O-CD 3.32Å; G12-P88 WeakPolarHBondContact O-CG 3.39Å |
| 13 | K | 86.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 58 Ų | 58 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | trans | -85 | 151.9 | 174.4 | -61.6 | -159.9 | 177.7 | -132.7 | 0 | 112.3 | Q9 R10 V11 F85 D87 E94 A164 | Q9-K13 WeakPolarHBondContact O-CE 3.32Å; R10-K13 WeakPolarHBondContact O-CB 3.47Å; R10-K13 PolarHBondContact O-N 3.36Å; V11-K13 VanDerWaalsContact C-N 3.34Å; V11-K13 PolarHBondContact O-N 2.83Å; K13-F85 HydrophobicContact CD-CB 4.48Å; K13-D87 WeakPolarHBondContact CD-OD1 3.34Å; K13-D87 WeakPolarHBondContact CE-OD1 3.27Å; K13-D87 WeakPolarHBondContact CG-OD1 3.47Å; K13-D87 IonicContact NZ-OD1 2.88Å; K13-D87 PolarHBondContact NZ-OD1 3.37Å; K13-D87 IonicContact NZ-OD2 3.12Å; K13-D87 PolarHBondContact NZ-OD2 2.85Å; K13-E94 WeakPolarHBondContact CD-OE1 3.42Å; K13-E94 WeakPolarHBondContact CE-OE1 3.37Å; K13-E94 IonicContact NZ-OE1 2.83Å; K13-E94 PolarHBondContact NZ-OE1 3.39Å; K13-A164 WeakPolarHBondContact O-CB 3.29Å; K13-A164 PolarHBondContact O-N 3.12Å | ||
| 14 | H | 87.8 | Confident | 80.8 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 26% | 0.255 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 141.3 | 166 | -73.5 | 90.5 | 0 | 0 | 0 | 110 | F85 K86 G162 | H14-F85 CarbonylContact O-C 3.56Å; H14-F85 WeakPolarHBondContact O-CA 3.28Å; H14-K86 HydrophobicContact CB-CG 3.89Å; H14-K86 PolarHBondContact N-O 2.84Å; H14-K86 PolarHBondContact O-N 3.18Å; H14-G162 CarbonylContact C-O 3.58Å; H14-G162 VanDerWaalsContact CA-O 3.32Å; H14-G162 WeakPolarHBondContact CA-O 3.31Å |
| 15 | A | 91.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T83 L84 F85 E161 G162 A164 D168 | A15-T83 HydrophobicContact CB-CG2 3.93Å; A15-L84 WeakPolarHBondContact CA-O 3.19Å; A15-F85 HydrophobicContact CB-CD1 3.79Å; A15-F85 HydrophobicContact CB-CE1 3.62Å; A15-E161 WeakPolarHBondContact O-CA 3.47Å; A15-G162 PolarHBondContact N-O 3.45Å; A15-G162 PolarHBondContact O-N 2.95Å; A15-G162 VanDerWaalsContact O-N 3.1Å; A15-A164 HydrophobicContact CB-CB 4.06Å; A15-D168 HydrophobicContact CB-CB 3.88Å |
| 16 | S | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.6 | -174.6 | -45.2 | 0 | 0 | 0 | 0 | 108.9 | F18 T83 L84 F93 R160 E161 | S16-F18 WeakPolarHBondContact O-CD2 3.3Å; S16-T83 CarbonylContact O-C 3.52Å; S16-T83 WeakPolarHBondContact O-CA 3.42Å; S16-L84 PolarHBondContact N-O 3.25Å; S16-L84 PolarHBondContact O-N 3.23Å; S16-F93 VanDerWaalsContact OG-CE1 3.31Å; S16-F93 WeakPolarHBondContact OG-CE1 3.41Å; S16-R160 CarbonylContact C-O 3.56Å; S16-R160 WeakPolarHBondContact CA-O 3.36Å; S16-E161 WeakPolarHBondContact CB-OE2 3.28Å; S16-E161 WeakPolarHBondContact OG-CG 3.38Å; S16-E161 PolarHBondContact OG-OE2 3.21Å |
| 17 | K | 93.6 | Very high | 85.6 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.2 | -168.9 | -164.1 | 172 | 174.2 | -179.4 | 0 | 108.7 | T81 T83 L159 R160 E167 | K17-T81 HydrophobicContact CG-CG2 3.87Å; K17-T83 HydrophobicContact CB-CG2 4.43Å; K17-L159 HydrophobicContact CG-CD1 4.4Å; K17-L159 WeakPolarHBondContact O-CA 3.32Å; K17-L159 VanDerWaalsContact O-CB 3.24Å; K17-L159 WeakPolarHBondContact O-CB 3.45Å; K17-L159 PolarHBondContact O-N 3.19Å; K17-R160 HydrophobicContact CB-CG 3.79Å; K17-R160 HydrophobicContact CD-CG 4.16Å; K17-R160 PolarHBondContact N-O 3.12Å; K17-R160 PolarHBondContact O-N 3.19Å; K17-E167 IonicContact NZ-OE1 3.73Å; K17-E167 PolarHBondContact NZ-OE1 3.36Å; K17-E167 IonicContact NZ-OE2 2.65Å |
| 18 | F | 94.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.5 | 179.4 | -61.3 | -88.8 | 0 | 0 | 0 | 111.2 | S16 F20 T81 V82 L84 F93 A125 S126 C156 I157 F158 | S16-F18 WeakPolarHBondContact O-CD2 3.3Å; F18-F20 HydrophobicContact CB-CD2 4.12Å; F18-F20 HydrophobicContact CB-CE2 3.64Å; F18-F20 HydrophobicContact CB-CZ 4.37Å; F18-F20 HydrophobicContact CG-CE2 4.4Å; F18-T81 CarbonylContact O-C 3.54Å; F18-T81 WeakPolarHBondContact O-CA 3.25Å; F18-V82 PolarHBondContact N-O 3.13Å; F18-V82 VanDerWaalsContact N-O 3.15Å; F18-V82 PolarHBondContact O-N 3.05Å; F18-L84 HydrophobicContact CD2-CB 4.33Å; F18-L84 HydrophobicContact CD2-CD1 3.89Å; F18-L84 HydrophobicContact CD2-CG 4.19Å; F18-L84 HydrophobicContact CE2-CB 4.11Å; F18-L84 HydrophobicContact CE2-CD1 3.76Å; F18-L84 HydrophobicContact CE2-CG 4.27Å; F18-F93 HydrophobicContact CE2-CE1 4.3Å; F18-F93 HydrophobicContact CE2-CE2 4.03Å; F18-F93 AromaticContact CE2-CZ 3.83Å; F18-F93 HydrophobicContact CE2-CZ 3.83Å; F18-F93 AromaticContact CZ-CE2 3.78Å; F18-F93 HydrophobicContact CZ-CE2 3.78Å; F18-F93 AromaticContact CZ-CZ 3.67Å; F18-F93 HydrophobicContact CZ-CZ 3.67Å; F18-A125 HydrophobicContact CD1-CB 4.45Å; F18-A125 HydrophobicContact CD2-CB 4.36Å; F18-A125 HydrophobicContact CE1-CB 4.21Å; F18-A125 HydrophobicContact CE2-CB 4.13Å; F18-A125 HydrophobicContact CZ-CB 4.05Å; F18-S126 WeakPolarHBondContact CE1-O 3.34Å; F18-C156 VanDerWaalsContact CD1-SG 3.53Å; F18-I157 CarbonylContact C-O 3.6Å; F18-I157 VanDerWaalsContact CA-O 3.31Å; F18-I157 WeakPolarHBondContact CA-O 3.47Å; F18-F158 HydrophobicContact CD1-CB 4.05Å; F18-F158 HydrophobicContact CD1-CD2 4.13Å; F18-F158 HydrophobicContact CE1-CB 3.97Å; F18-F158 AromaticContact CE1-CD2 3.61Å; F18-F158 HydrophobicContact CE1-CD2 3.61Å; F18-F158 HydrophobicContact CE1-CG 4.28Å; F18-F158 AromaticContact CZ-CD2 3.94Å; F18-F158 HydrophobicContact CZ-CD2 3.94Å |
| 19 | Q | 95.5 | Very high | 88.5 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.4 | 164.6 | -168.7 | 176.2 | 13.6 | 0 | 0 | 108.4 | E79 C156 I157 L159 | Q19-E79 PolarHBondContact NE2-OE2 3.1Å; Q19-C156 WeakPolarHBondContact O-CA 3.49Å; Q19-I157 HydrophobicContact CB-CB 4.49Å; Q19-I157 PolarHBondContact N-O 2.82Å; Q19-I157 PolarHBondContact O-N 3.37Å; Q19-L159 HydrophobicContact CB-CD1 4.15Å; Q19-L159 HydrophobicContact CB-CD2 4.18Å; Q19-L159 HydrophobicContact CB-CG 4.27Å |
| 20 | F | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.2 | 174.6 | -74.9 | -89.6 | 0 | 0 | 0 | 109.8 | F18 E79 I80 V82 M121 Y124 A125 L154 S155 C156 | F18-F20 HydrophobicContact CB-CD2 4.12Å; F18-F20 HydrophobicContact CB-CE2 3.64Å; F18-F20 HydrophobicContact CB-CZ 4.37Å; F18-F20 HydrophobicContact CG-CE2 4.4Å; F20-E79 CarbonylContact O-C 3.49Å; F20-E79 VanDerWaalsContact O-CA 3.28Å; F20-E79 WeakPolarHBondContact O-CA 3.34Å; F20-I80 HydrophobicContact CB-CG1 4.03Å; F20-I80 PolarHBondContact N-O 3.42Å; F20-I80 PolarHBondContact O-N 3.08Å; F20-V82 HydrophobicContact CD2-CB 3.65Å; F20-V82 HydrophobicContact CD2-CG1 4.19Å; F20-V82 HydrophobicContact CD2-CG2 3.59Å; F20-V82 HydrophobicContact CE2-CB 3.77Å; F20-V82 HydrophobicContact CE2-CG1 3.9Å; F20-V82 HydrophobicContact CE2-CG2 4.17Å; F20-M121 HydrophobicContact CD1-SD 3.98Å; F20-M121 HydrophobicContact CD2-SD 4.37Å; F20-M121 HydrophobicContact CE1-SD 4.09Å; F20-M121 HydrophobicContact CE2-CB 4.16Å; F20-M121 HydrophobicContact CE2-SD 4.46Å; F20-M121 HydrophobicContact CG-SD 4.11Å; F20-M121 HydrophobicContact CZ-CB 4.04Å; F20-M121 WeakPolarHBondContact CZ-O 3.31Å; F20-M121 HydrophobicContact CZ-SD 4.32Å; F20-Y124 WeakPolarHBondContact CE1-O 3.33Å; F20-A125 HydrophobicContact CZ-CB 4.13Å; F20-L154 HydrophobicContact CB-CD1 4.11Å; F20-L154 HydrophobicContact CD1-CD1 3.92Å; F20-L154 HydrophobicContact CD1-CD2 4.23Å; F20-L154 HydrophobicContact CD1-CG 4.06Å; F20-L154 HydrophobicContact CG-CD1 4.49Å; F20-S155 VanDerWaalsContact CA-O 3.29Å; F20-S155 WeakPolarHBondContact CA-O 3.47Å; F20-C156 HydrophobicContact CD1-CB 3.92Å; F20-C156 HydrophobicContact CE1-CB 3.67Å; F20-C156 HydrophobicContact CZ-CB 4.29Å |
| 21 | V | 95.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.7 | 174 | -165.4 | 0 | 0 | 0 | 0 | 109.3 | N77 I78 E79 L154 S155 | V21-N77 HydrophobicContact CG1-CB 3.81Å; V21-I78 CarbonylContact C-O 3.56Å; V21-I78 WeakPolarHBondContact CA-O 3.43Å; V21-E79 HydrophobicContact CG1-CB 4.35Å; V21-E79 HydrophobicContact CG2-CB 4Å; V21-L154 WeakPolarHBondContact O-CA 3.44Å; V21-S155 WeakPolarHBondContact CB-OG 3.38Å; V21-S155 PolarHBondContact N-O 3.05Å; V21-S155 PolarHBondContact O-N 2.91Å |
| 22 | A | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y24 W44 N77 I78 F152 L154 | A22-Y24 HydrophobicContact CB-CE1 4.29Å; A22-W44 HydrophobicContact CB-CE3 4.27Å; A22-W44 HydrophobicContact CB-CH2 3.71Å; A22-W44 HydrophobicContact CB-CZ2 4.42Å; A22-W44 HydrophobicContact CB-CZ3 3.65Å; A22-N77 WeakPolarHBondContact O-CA 3.31Å; A22-I78 PolarHBondContact N-O 3.47Å; A22-I78 PolarHBondContact O-N 3.18Å; A22-F152 HydrophobicContact CB-CD2 3.79Å; A22-F152 HydrophobicContact CB-CE2 3.95Å; A22-L154 HydrophobicContact CB-CD1 4.41Å |
| 23 | S | 94.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 101.6 | -177.9 | -166 | 0 | 0 | 0 | 0 | 109.7 | P75 N77 F152 S153 | S23-P75 WeakPolarHBondContact OG-CB 3.43Å; S23-N77 WeakPolarHBondContact CB-OD1 3.03Å; S23-N77 PolarHBondContact OG-OD1 2.9Å; S23-F152 CarbonylContact O-C 3.57Å; S23-F152 VanDerWaalsContact O-CA 3.24Å; S23-F152 WeakPolarHBondContact O-CA 3.36Å; S23-F152 VanDerWaalsContact O-CB 3.32Å; S23-F152 WeakPolarHBondContact O-CB 3.23Å; S23-S153 WeakPolarHBondContact CB-OG 3.37Å; S23-S153 PolarHBondContact N-O 3.12Å; S23-S153 PolarHBondContact O-N 3.47Å |
| 24 | Y | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 138.4 | -172.7 | -52.7 | -64.2 | 0 | 0 | 0 | 112.1 | A22 V42 W72 P75 E76 I78 F100 L150 F152 | A22-Y24 HydrophobicContact CB-CE1 4.29Å; Y24-V42 HydrophobicContact CD1-CG1 4.36Å; Y24-V42 HydrophobicContact CE1-CB 4.22Å; Y24-V42 HydrophobicContact CE1-CG1 3.62Å; Y24-V42 HydrophobicContact CE2-CB 4.35Å; Y24-V42 HydrophobicContact CE2-CG1 4.47Å; Y24-W72 HydrophobicContact CD2-CZ2 4.38Å; Y24-W72 HydrophobicContact CG-CZ2 4.33Å; Y24-W72 VanDerWaalsContact O-CB 3.29Å; Y24-W72 WeakPolarHBondContact O-CB 3.41Å; Y24-P75 WeakPolarHBondContact O-CA 3.25Å; Y24-P75 WeakPolarHBondContact O-CB 3.48Å; Y24-E76 HydrophobicContact CD2-CB 4.37Å; Y24-E76 WeakPolarHBondContact CD2-O 3.22Å; Y24-E76 PolarHBondContact N-O 2.92Å; Y24-I78 HydrophobicContact CE2-CD1 3.63Å; Y24-I78 HydrophobicContact CE2-CG1 3.9Å; Y24-F100 HydrophobicContact CE1-CE1 4.03Å; Y24-L150 HydrophobicContact CD1-CD1 3.95Å; Y24-L150 HydrophobicContact CD1-CD2 3.87Å; Y24-L150 HydrophobicContact CD1-CG 4.26Å; Y24-L150 HydrophobicContact CE1-CD2 3.82Å; Y24-F152 HydrophobicContact CD1-CB 3.71Å; Y24-F152 HydrophobicContact CD1-CG 4.22Å; Y24-F152 HydrophobicContact CE1-CB 4.36Å; Y24-F152 HydrophobicContact CE1-CG 4.42Å |
| 25 | Q | 90.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -50.4 | 174.8 | -54.5 | 116 | -0.1 | 0 | 0 | 112.2 | W72 Q151 | Q25-W72 PolarHBondContact O-N 3.33Å; Q25-Q151 PolarHBondContact N-O 3.08Å; Q25-Q151 PolarHBondContact OE1-O 3.17Å |
| 26 | E | 93.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.9 | -177.2 | -165.2 | -164.6 | 152.7 | 0 | 0 | 111.7 | M28 V69 V70 L150 Q151 | E26-M28 WeakPolarHBondContact OE1-CE 3.38Å; E26-V69 HydrophobicContact CG-CG1 3.42Å; E26-V69 VanDerWaalsContact CG-CG1 3.42Å; E26-V70 WeakPolarHBondContact CA-O 3.45Å; E26-L150 CarbonylContact O-C 3.4Å; E26-Q151 HydrophobicContact CB-CB 4.43Å; E26-Q151 PolarHBondContact N-O 3.02Å; E26-Q151 VanDerWaalsContact N-O 3.13Å; E26-Q151 PolarHBondContact O-N 3.41Å |
| 27 | L | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.5 | 168.6 | 169.8 | 61.9 | 0 | 0 | 0 | 109.2 | V29 L40 V42 V69 V70 W72 I102 L150 | L27-V29 HydrophobicContact CD1-CG2 3.88Å; L27-V29 HydrophobicContact CD2-CG2 4.26Å; L27-V29 HydrophobicContact CG-CG2 3.85Å; L27-L40 HydrophobicContact CD2-CB 4.24Å; L27-L40 HydrophobicContact CD2-CD1 4.04Å; L27-V42 HydrophobicContact CD2-CG2 3.95Å; L27-V69 CarbonylContact O-C 3.53Å; L27-V69 WeakPolarHBondContact O-CA 3.39Å; L27-V70 HydrophobicContact CB-CB 4.24Å; L27-V70 PolarHBondContact N-O 3.09Å; L27-V70 PolarHBondContact O-N 3.1Å; L27-W72 HydrophobicContact CB-CH2 3.78Å; L27-W72 HydrophobicContact CB-CZ3 3.53Å; L27-W72 HydrophobicContact CD2-CH2 4.3Å; L27-I102 HydrophobicContact CD1-CD1 3.6Å; L27-I102 HydrophobicContact CD1-CG1 4.11Å; L27-I102 HydrophobicContact CD2-CG1 4.32Å; L27-I102 HydrophobicContact CD2-CG2 4.21Å; L27-L150 HydrophobicContact CB-CD1 3.77Å; L27-L150 HydrophobicContact CD1-CB 4.25Å; L27-L150 HydrophobicContact CD1-CD1 4.14Å; L27-L150 HydrophobicContact CG-CD1 4.43Å |
| 28 | M | 93.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.2 | 175.5 | -172.8 | 177.5 | -60.8 | 0 | 0 | 109.9 | E26 R67 V69 A148 T149 | E26-M28 WeakPolarHBondContact OE1-CE 3.38Å; M28-R67 HydrophobicContact CG-CG 4.49Å; M28-R67 PolarHBondContact SD-NE 2.83Å; M28-R67 PolarHBondContact SD-NH2 2.89Å; M28-V69 HydrophobicContact CB-CG2 4.48Å; M28-V69 HydrophobicContact CE-CG2 4.26Å; M28-V69 HydrophobicContact CG-CG2 4.22Å; M28-A148 CarbonylContact O-C 3.49Å; M28-A148 VanDerWaalsContact O-CA 3.27Å; M28-A148 WeakPolarHBondContact O-CA 3.47Å; M28-T149 PolarHBondContact N-O 3.19Å; M28-T149 PolarHBondContact O-N 2.97Å |
| 29 | V | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125 | 178.4 | -174 | 0 | 0 | 0 | 0 | 110.7 | L27 L40 W58 G68 V145 A148 | L27-V29 HydrophobicContact CD1-CG2 3.88Å; L27-V29 HydrophobicContact CD2-CG2 4.26Å; L27-V29 HydrophobicContact CG-CG2 3.85Å; V29-L40 HydrophobicContact CB-CD1 4.22Å; V29-L40 HydrophobicContact CG2-CD1 3.63Å; V29-W58 PolarHBondContact O-NE1 2.91Å; V29-G68 PolarHBondContact N-O 2.94Å; V29-G68 PolarHBondContact O-N 3.39Å; V29-V145 HydrophobicContact CG1-CG1 4Å; V29-V145 HydrophobicContact CG1-CG2 3.92Å; V29-A148 HydrophobicContact CG1-CB 4.33Å; V29-A148 HydrophobicContact CG2-CB 4.06Å |
| 30 | E | 92.9 | Very high | 91.3 | Very high | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.4 | 174.9 | -174 | 173.3 | -135.9 | 0 | 0 | 110.1 | R67 V146 S147 | E30-R67 HydrophobicContact CB-CB 4.35Å; E30-R67 HydrophobicContact CB-CG 4.31Å; E30-R67 HydrophobicContact CG-CB 4.17Å; E30-V146 HydrophobicContact CB-CB 4.49Å; E30-V146 HydrophobicContact CG-CB 4.11Å; E30-V146 PolarHBondContact O-N 3.08Å; E30-S147 VanDerWaalsContact CB-OG 3.32Å; E30-S147 WeakPolarHBondContact CB-OG 3.08Å; E30-S147 PolarHBondContact N-O 3.36Å; E30-S147 PolarHBondContact O-N 2.95Å; E30-S147 PolarHBondContact OE2-OG 2.82Å |
| 31 | C | 92.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 165 | -175.2 | -61 | 0 | 0 | 0 | 0 | 111.5 | W35 Y66 K144 | C31-W35 HydrophobicContact CB-CE3 4.21Å; C31-W35 VanDerWaalsContact CB-O 3.28Å; C31-W35 WeakPolarHBondContact CB-O 3.36Å; C31-Y66 PolarHBondContact N-O 2.97Å; C31-K144 CarbonylContact C-O 3.52Å; C31-K144 WeakPolarHBondContact CA-O 3.28Å |
| 32 | T | 90.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | trans | -74.6 | 151.8 | 174.4 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | K34 W35 K143 K144 V146 | T32-K34 PolarHBondContact O-N 3.16Å; T32-W35 PolarHBondContact O-N 3.03Å; T32-W35 VanDerWaalsContact O-O 3.06Å; T32-K143 WeakPolarHBondContact CG2-O 3.5Å; T32-K144 PolarHBondContact N-O 3.46Å; T32-V146 HydrophobicContact CG2-CG2 3.91Å | ||
| 33 | K | 85.1 | Confident | 91.2 | Very high | 167 Ų | 167 | 45.8 Ų | 45.8 | 73% | 0.726 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 2.9 | -177.3 | -59.9 | -172.8 | 179.2 | -177.9 | 0 | 116.3 | Y66 | K33-Y66 HydrophobicContact CB-CD2 4.35Å; K33-Y66 HydrophobicContact CB-CE1 4.34Å; K33-Y66 HydrophobicContact CB-CE2 4.02Å; K33-Y66 HydrophobicContact CG-CD2 3.94Å; K33-Y66 HydrophobicContact CG-CE2 3.9Å; K33-Y66 HydrophobicContact CG-CG 4.48Å; K33-Y66 WeakPolarHBondContact O-CE1 3.47Å; K33-Y66 PolarHBondContact O-OH 2.92Å |
| 34 | K | 81.9 | Confident | 91.1 | Very high | 206 Ų | 206 | 45.2 Ų | 45.2 | 90% | 0.896 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122 | 7.1 | -179.2 | -60.5 | -170.1 | 178 | -172.4 | 0 | 113.1 | T32 | T32-K34 PolarHBondContact O-N 3.16Š|
| 35 | W | 89.3 | Confident | 91 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 17% | 0.167 | 22% | 0.219 | C | C | . | . | trans | -157 | 144.7 | 178.2 | -177.9 | 66.9 | 0 | 0 | 0 | 113.2 | C31 T32 P37 N104 L114 K144 V145 | C31-W35 HydrophobicContact CB-CE3 4.21Å; C31-W35 VanDerWaalsContact CB-O 3.28Å; C31-W35 WeakPolarHBondContact CB-O 3.36Å; T32-W35 PolarHBondContact O-N 3.03Å; T32-W35 VanDerWaalsContact O-O 3.06Å; W35-P37 HydrophobicContact CH2-CB 3.61Å; W35-P37 HydrophobicContact CH2-CG 4.48Å; W35-P37 HydrophobicContact CZ2-CB 4.07Å; W35-P37 HydrophobicContact CZ3-CB 4.13Å; W35-N104 HydrophobicContact CH2-CB 4.16Å; W35-N104 HydrophobicContact CZ2-CB 4.21Å; W35-N104 WeakPolarHBondContact CZ2-OD1 3.22Å; W35-L114 HydrophobicContact CH2-CD1 3.8Å; W35-L114 HydrophobicContact CH2-CD2 3.65Å; W35-L114 HydrophobicContact CH2-CG 4.39Å; W35-L114 HydrophobicContact CZ2-CD2 4.5Å; W35-L114 HydrophobicContact CZ3-CD1 4.19Å; W35-L114 HydrophobicContact CZ3-CD2 4.16Å; W35-K144 HydrophobicContact CB-CD 4.46Å; W35-K144 HydrophobicContact CB-CG 4.49Å; W35-K144 HydrophobicContact CD2-CB 3.93Å; W35-K144 HydrophobicContact CD2-CD 3.63Å; W35-K144 HydrophobicContact CD2-CG 4.21Å; W35-K144 HydrophobicContact CE3-CB 3.49Å; W35-K144 VanDerWaalsContact CE3-CB 3.49Å; W35-K144 HydrophobicContact CE3-CD 4.04Å; W35-K144 HydrophobicContact CE3-CG 4.27Å; W35-K144 HydrophobicContact CG-CB 4.42Å; W35-K144 HydrophobicContact CG-CD 3.83Å; W35-K144 HydrophobicContact CG-CG 4.33Å; W35-K144 HydrophobicContact CZ2-CD 4.36Å; W35-K144 HydrophobicContact CZ3-CB 3.92Å; W35-V145 HydrophobicContact CZ3-CG2 4.18Å | ||
| 36 | Q | 86.4 | Confident | 90.8 | Very high | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | trans | -128.1 | 147.9 | 169.9 | -68.5 | 170.1 | -35.3 | 0 | 0 | 109.2 | W58 P65 Y66 | Q36-W58 HydrophobicContact CB-CE3 4.45Å; Q36-W58 HydrophobicContact CB-CH2 4.17Å; Q36-W58 HydrophobicContact CB-CZ3 3.77Å; Q36-W58 HydrophobicContact CG-CH2 3.77Å; Q36-W58 HydrophobicContact CG-CZ3 3.72Å; Q36-P65 PolarHBondContact NE2-O 3.44Å; Q36-Y66 HydrophobicContact CG-CD1 4.49Å | ||
| 37 | P | 87.5 | Confident | 90.3 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | trans | -78 | 150.1 | 174.3 | 32.3 | -34.3 | 0 | 0 | 0 | 111.8 | W35 L40 W58 N104 | W35-P37 HydrophobicContact CH2-CB 3.61Å; W35-P37 HydrophobicContact CH2-CG 4.48Å; W35-P37 HydrophobicContact CZ2-CB 4.07Å; W35-P37 HydrophobicContact CZ3-CB 4.13Å; P37-L40 HydrophobicContact CB-CD2 3.62Å; P37-L40 HydrophobicContact CB-CG 4.09Å; P37-L40 HydrophobicContact CG-CD1 4.32Å; P37-L40 HydrophobicContact CG-CD2 4.17Å; P37-L40 HydrophobicContact CG-CG 4.29Å; P37-W58 HydrophobicContact CG-CB 3.77Å; P37-W58 HydrophobicContact CG-CD2 3.51Å; P37-W58 HydrophobicContact CG-CE3 4.01Å; P37-W58 HydrophobicContact CG-CG 3.44Å; P37-W58 VanDerWaalsContact CG-CG 3.44Å; P37-N104 WeakPolarHBondContact CA-OD1 3.49Å; P37-N104 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 38 | D | 85.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -84.8 | -64 | 178 | -39.1 | -93.6 | 0 | 0 | 0 | 110.1 | N104 | D38-N104 PolarHBondContact N-OD1 3.32Å; D38-N104 PolarHBondContact OD2-ND2 3.06Å |
| 39 | K | 92.7 | Very high | 88.7 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.1 | 173.2 | -64.2 | -175.8 | 177.3 | -173.3 | 0 | 109.6 | A55 H56 N104 E105 | K39-A55 HydrophobicContact CB-CB 4.03Å; K39-A55 HydrophobicContact CD-CB 4.1Å; K39-H56 CarbonylContact C-O 3.42Å; K39-H56 VanDerWaalsContact CA-O 3.29Å; K39-H56 WeakPolarHBondContact CA-O 3.45Å; K39-N104 WeakPolarHBondContact O-CA 3.21Å; K39-E105 HydrophobicContact CB-CB 4.5Å; K39-E105 PolarHBondContact O-N 2.88Å |
| 40 | L | 94 | Very high | 88.5 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.9 | 178.6 | -64.9 | 178.7 | 0 | 0 | 0 | 111.1 | L27 V29 P37 H56 W58 V70 I102 E103 L114 | L27-L40 HydrophobicContact CD2-CB 4.24Å; L27-L40 HydrophobicContact CD2-CD1 4.04Å; V29-L40 HydrophobicContact CB-CD1 4.22Å; V29-L40 HydrophobicContact CG2-CD1 3.63Å; P37-L40 HydrophobicContact CB-CD2 3.62Å; P37-L40 HydrophobicContact CB-CG 4.09Å; P37-L40 HydrophobicContact CG-CD1 4.32Å; P37-L40 HydrophobicContact CG-CD2 4.17Å; P37-L40 HydrophobicContact CG-CG 4.29Å; L40-H56 PolarHBondContact N-O 3.36Å; L40-H56 PolarHBondContact O-N 2.64Å; L40-W58 HydrophobicContact CD1-CB 4.16Å; L40-W58 HydrophobicContact CD1-CG 4.24Å; L40-W58 HydrophobicContact CG-CB 4.33Å; L40-V70 HydrophobicContact CB-CG2 4.31Å; L40-V70 HydrophobicContact CD1-CG2 4.04Å; L40-I102 HydrophobicContact CD2-CG2 4.05Å; L40-E103 WeakPolarHBondContact CA-O 3.38Å; L40-L114 HydrophobicContact CD2-CD1 3.57Å |
| 41 | V | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | V43 S53 A55 E103 E105 | V41-V43 HydrophobicContact CG1-CG2 3.7Å; V41-S53 WeakPolarHBondContact CG1-O 3.36Å; V41-A55 HydrophobicContact CG2-CB 3.62Å; V41-E103 HydrophobicContact CB-CB 4.46Å; V41-E103 PolarHBondContact N-O 2.86Å; V41-E103 PolarHBondContact O-N 2.88Å; V41-E105 HydrophobicContact CG2-CB 4.36Å |
| 42 | V | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | Y24 L27 S52 S53 W72 F100 L150 | Y24-V42 HydrophobicContact CD1-CG1 4.36Å; Y24-V42 HydrophobicContact CE1-CB 4.22Å; Y24-V42 HydrophobicContact CE1-CG1 3.62Å; Y24-V42 HydrophobicContact CE2-CB 4.35Å; Y24-V42 HydrophobicContact CE2-CG1 4.47Å; L27-V42 HydrophobicContact CD2-CG2 3.95Å; V42-S52 CarbonylContact O-C 3.57Å; V42-S52 WeakPolarHBondContact O-CA 3.32Å; V42-S53 PolarHBondContact N-OG 3.14Å; V42-S53 PolarHBondContact O-N 3.24Å; V42-W72 HydrophobicContact CG2-CH2 3.91Å; V42-W72 HydrophobicContact CG2-CZ2 4.23Å; V42-F100 HydrophobicContact CG1-CD1 3.88Å; V42-F100 HydrophobicContact CG1-CE1 4.41Å; V42-L150 HydrophobicContact CG1-CD2 3.87Å; V42-L150 HydrophobicContact CG2-CD1 4.06Å |
| 43 | V | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.1 | -173.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | V41 R50 K51 F100 V101 E103 | V41-V43 HydrophobicContact CG1-CG2 3.7Å; V43-R50 HydrophobicContact CG1-CG 3.55Å; V43-K51 WeakPolarHBondContact CA-O 3.25Å; V43-F100 CarbonylContact O-C 3.6Å; V43-F100 WeakPolarHBondContact O-CA 3.45Å; V43-V101 HydrophobicContact CB-CB 4.34Å; V43-V101 PolarHBondContact N-O 3.12Å; V43-V101 PolarHBondContact O-N 3.04Å; V43-E103 HydrophobicContact CG2-CG 3.99Å |
| 44 | W | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.3 | 164.7 | 61.1 | -3 | 0 | 0 | 0 | 111.5 | A22 R50 K51 I78 I80 T99 F100 M121 L154 | A22-W44 HydrophobicContact CB-CE3 4.27Å; A22-W44 HydrophobicContact CB-CH2 3.71Å; A22-W44 HydrophobicContact CB-CZ2 4.42Å; A22-W44 HydrophobicContact CB-CZ3 3.65Å; W44-R50 WeakPolarHBondContact O-CA 3.44Å; W44-K51 PolarHBondContact N-O 2.82Å; W44-K51 PolarHBondContact O-N 2.93Å; W44-K51 VanDerWaalsContact O-N 3.12Å; W44-I78 WeakPolarHBondContact CH2-O 3.33Å; W44-I78 VanDerWaalsContact CZ2-C 3.48Å; W44-I78 HydrophobicContact CZ2-CB 4Å; W44-I78 HydrophobicContact CZ2-CG2 3.83Å; W44-I78 WeakPolarHBondContact CZ2-O 3.37Å; W44-I80 HydrophobicContact CD2-CD1 3.94Å; W44-I80 HydrophobicContact CD2-CG2 4.36Å; W44-I80 HydrophobicContact CE3-CD1 3.56Å; W44-I80 HydrophobicContact CE3-CG1 4.26Å; W44-I80 HydrophobicContact CH2-CB 4.36Å; W44-I80 HydrophobicContact CH2-CD1 3.74Å; W44-I80 HydrophobicContact CH2-CG1 3.48Å; W44-I80 VanDerWaalsContact CH2-CG1 3.48Å; W44-I80 HydrophobicContact CH2-CG2 4.33Å; W44-I80 HydrophobicContact CZ2-CB 4.1Å; W44-I80 HydrophobicContact CZ2-CD1 4.04Å; W44-I80 HydrophobicContact CZ2-CG1 3.7Å; W44-I80 HydrophobicContact CZ2-CG2 3.62Å; W44-I80 HydrophobicContact CZ3-CD1 3.46Å; W44-I80 VanDerWaalsContact CZ3-CD1 3.46Å; W44-I80 HydrophobicContact CZ3-CG1 3.76Å; W44-T99 CarbonylContact C-O 3.53Å; W44-T99 WeakPolarHBondContact CA-O 3.43Å; W44-F100 HydrophobicContact CB-CD1 4.15Å; W44-F100 HydrophobicContact CB-CD2 4.23Å; W44-F100 HydrophobicContact CB-CE1 3.96Å; W44-F100 HydrophobicContact CB-CE2 4.03Å; W44-F100 HydrophobicContact CB-CG 4.29Å; W44-F100 HydrophobicContact CB-CZ 3.92Å; W44-F100 HydrophobicContact CD2-CZ 4.13Å; W44-F100 HydrophobicContact CE3-CE1 4.21Å; W44-F100 HydrophobicContact CE3-CE2 4.01Å; W44-F100 AromaticContact CE3-CZ 3.45Å; W44-F100 HydrophobicContact CE3-CZ 3.45Å; W44-F100 VanDerWaalsContact CE3-CZ 3.45Å; W44-F100 HydrophobicContact CG-CE1 4.5Å; W44-F100 HydrophobicContact CG-CZ 4.4Å; W44-F100 HydrophobicContact CZ3-CZ 4.21Å; W44-M121 HydrophobicContact CE3-CE 4.16Å; W44-M121 HydrophobicContact CZ3-CE 4.21Å; W44-L154 HydrophobicContact CZ3-CD1 4.43Å |
| 45 | T | 92.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 146.2 | -174.6 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | R49 T99 V101 | T45-R49 CarbonylContact C-O 3.54Å; T45-R49 VanDerWaalsContact CA-O 3.24Å; T45-R49 WeakPolarHBondContact CA-O 3.31Å; T45-R49 PolarHBondContact OG1-O 2.87Å; T45-T99 WeakPolarHBondContact CG2-O 3.08Å; T45-T99 PolarHBondContact N-O 3.46Å; T45-T99 PolarHBondContact O-N 3.21Å; T45-V101 HydrophobicContact CG2-CG2 4.16Å |
| 46 | R | 86.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 113.1 | 170.9 | -169.3 | -179.2 | -161.4 | -115.1 | 2.9 | 110 | S48 R49 K96 E97 W98 | R46-S48 PolarHBondContact O-N 2.78Å; R46-R49 PolarHBondContact N-O 3.35Å; R46-R49 WeakPolarHBondContact O-CB 3.48Å; R46-R49 PolarHBondContact O-N 3.14Å; R46-K96 VanDerWaalsContact CZ-CG 3.41Å; R46-E97 WeakPolarHBondContact CD-O 3.38Å; R46-E97 PolarHBondContact NE-O 2.68Å; R46-W98 HydrophobicContact CB-CD2 3.58Å; R46-W98 HydrophobicContact CB-CE3 3.6Å; R46-W98 HydrophobicContact CB-CG 4.1Å; R46-W98 HydrophobicContact CB-CH2 4.23Å; R46-W98 HydrophobicContact CB-CZ2 4.2Å; R46-W98 HydrophobicContact CB-CZ3 3.94Å; R46-W98 HydrophobicContact CG-CD2 4.39Å |
| 47 | R | 82.8 | Confident | 89.4 | Confident | 173 Ų | 173 | 55.6 Ų | 55.6 | 65% | 0.653 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -120.1 | -173.6 | -53 | 173.8 | -174.7 | 169.2 | 1.1 | 109.6 | ||
| 48 | S | 73.9 | Confident | 89.6 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.5 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | R46 A173 | R46-S48 PolarHBondContact O-N 2.78Å; S48-A173 WeakPolarHBondContact OG-CB 3.28Å |
| 49 | R | 80 | Confident | 89.8 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.2 | 178.8 | -54.1 | -173.3 | -167.6 | -162.1 | 2.2 | 109.2 | T45 R46 W98 S171 | T45-R49 CarbonylContact C-O 3.54Å; T45-R49 VanDerWaalsContact CA-O 3.24Å; T45-R49 WeakPolarHBondContact CA-O 3.31Å; T45-R49 PolarHBondContact OG1-O 2.87Å; R46-R49 PolarHBondContact N-O 3.35Å; R46-R49 WeakPolarHBondContact O-CB 3.48Å; R46-R49 PolarHBondContact O-N 3.14Å; R49-W98 HydrophobicContact CB-CH2 4.09Å; R49-W98 HydrophobicContact CB-CZ3 4.41Å; R49-S171 PolarHBondContact NH2-OG 3.3Å; R49-S171 VanDerWaalsContact NH2-OG 3.15Å |
| 50 | R | 88.6 | Confident | 89.5 | Confident | 133 Ų | 133 | 57.1 Ų | 57.1 | 50% | 0.502 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 129.5 | 179.3 | -178.8 | 176.9 | 178.2 | -111.7 | 4.8 | 109.1 | V43 W44 E103 | V43-R50 HydrophobicContact CG1-CG 3.55Å; W44-R50 WeakPolarHBondContact O-CA 3.44Å; R50-E103 IonicContact CZ-OE1 2.8Å; R50-E103 IonicContact NE-OE1 2.63Å; R50-E103 IonicContact NH2-OE1 2.78Å; R50-E103 PolarHBondContact NH2-OE1 3.47Å; R50-E103 IonicContact NH2-OE2 3.13Å; R50-E103 PolarHBondContact NH2-OE2 3.5Å |
| 51 | K | 91.3 | Very high | 89.1 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 157.7 | 162.7 | -66.3 | -170.2 | -179.5 | 179.3 | 0 | 108.5 | V43 W44 I78 E79 I80 | V43-K51 WeakPolarHBondContact CA-O 3.25Å; W44-K51 PolarHBondContact N-O 2.82Å; W44-K51 PolarHBondContact O-N 2.93Å; W44-K51 VanDerWaalsContact O-N 3.12Å; K51-I78 HydrophobicContact CB-CG2 3.96Å; K51-I78 HydrophobicContact CD-CG2 3.99Å; K51-E79 WeakPolarHBondContact CD-O 3.47Å; K51-E79 WeakPolarHBondContact CE-O 3.5Å; K51-E79 PolarHBondContact NZ-O 2.81Å; K51-E79 IonicContact NZ-OE1 2.88Å; K51-E79 PolarHBondContact NZ-OE1 3.43Å; K51-I80 HydrophobicContact CD-CG2 4.5Å |
| 52 | S | 91.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146 | -176.3 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | V42 R111 | V42-S52 CarbonylContact O-C 3.57Å; V42-S52 WeakPolarHBondContact O-CA 3.32Å; S52-R111 PolarHBondContact OG-NH1 3.32Å |
| 53 | S | 93.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.028 | 38% | 0.381 | C | S | . | . | trans | -62.9 | 169.2 | 168.2 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | V41 V42 E76 | V41-S53 WeakPolarHBondContact CG1-O 3.36Å; V42-S53 PolarHBondContact N-OG 3.14Å; V42-S53 PolarHBondContact O-N 3.24Å; S53-E76 VanDerWaalsContact CA-OE1 3.31Å; S53-E76 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 54 | K | 90.4 | Very high | 87.5 | Confident | 156 Ų | 156 | 79.9 Ų | 79.9 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | trans | -58.6 | 156.8 | 156.5 | -66.6 | 167.9 | -175.9 | 176.5 | 0 | 109.5 | H56 E76 | K54-H56 PolarHBondContact O-CD2 3.29Å; K54-H56 VanDerWaalsContact O-CD2 3.22Å; K54-E76 WeakPolarHBondContact CG-OE1 3.16Å; K54-E76 PolarHBondContact N-OE1 3.06Å | ||
| 55 | A | 90.8 | Very high | 87.1 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | trans | -90.1 | 107.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K39 V41 E105 | K39-A55 HydrophobicContact CB-CB 4.03Å; K39-A55 HydrophobicContact CD-CB 4.1Å; V41-A55 HydrophobicContact CG2-CB 3.62Å; A55-E105 HydrophobicContact CB-CB 4.37Å | ||
| 56 | H | 90.3 | Very high | 86.9 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.1 | -175 | -67.7 | -83.4 | 0 | 0 | 0 | 111.6 | K39 L40 K54 V70 W72 E76 | K39-H56 CarbonylContact C-O 3.42Å; K39-H56 VanDerWaalsContact CA-O 3.29Å; K39-H56 WeakPolarHBondContact CA-O 3.45Å; L40-H56 PolarHBondContact N-O 3.36Å; L40-H56 PolarHBondContact O-N 2.64Å; K54-H56 PolarHBondContact O-CD2 3.29Å; K54-H56 VanDerWaalsContact O-CD2 3.22Å; H56-V70 HydrophobicContact CB-CG1 3.52Å; H56-W72 AromaticContact CD2-CE2 3.74Å; H56-W72 AromaticContact CD2-CZ2 3.87Å; H56-W72 AromaticContact CD2-NE1 3.38Å; H56-W72 PolarHBondContact CD2-NE1 3.33Å; H56-W72 AromaticContact CE1-CD1 3.92Å; H56-W72 AromaticContact CE1-NE1 3.76Å; H56-W72 AromaticContact NE2-CD1 3.69Å; H56-W72 AromaticContact NE2-CE2 3.92Å; H56-W72 AromaticContact NE2-NE1 3.09Å; H56-W72 PolarHBondContact NE2-NE1 2.91Å; H56-E76 IonicContact CD2-OE2 2.78Å; H56-E76 IonicContact CE1-OE2 2.75Å; H56-E76 IonicContact NE2-OE2 3.49Å; H56-E76 PolarHBondContact NE2-OE2 2.67Å |
| 57 | S | 89.4 | Confident | 87.1 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.7 | 179.5 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 58 | W | 91.3 | Very high | 87.4 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 131.3 | 176 | 173 | 93.3 | 0 | 0 | 0 | 110.6 | V29 Q36 P37 L40 P60 P65 G68 V70 | V29-W58 PolarHBondContact O-NE1 2.91Å; Q36-W58 HydrophobicContact CB-CE3 4.45Å; Q36-W58 HydrophobicContact CB-CH2 4.17Å; Q36-W58 HydrophobicContact CB-CZ3 3.77Å; Q36-W58 HydrophobicContact CG-CH2 3.77Å; Q36-W58 HydrophobicContact CG-CZ3 3.72Å; P37-W58 HydrophobicContact CG-CB 3.77Å; P37-W58 HydrophobicContact CG-CD2 3.51Å; P37-W58 HydrophobicContact CG-CE3 4.01Å; P37-W58 HydrophobicContact CG-CG 3.44Å; P37-W58 VanDerWaalsContact CG-CG 3.44Å; L40-W58 HydrophobicContact CD1-CB 4.16Å; L40-W58 HydrophobicContact CD1-CG 4.24Å; L40-W58 HydrophobicContact CG-CB 4.33Å; W58-P60 HydrophobicContact CH2-CB 3.96Å; W58-P60 HydrophobicContact CZ3-CB 3.84Å; W58-P60 HydrophobicContact CZ3-CG 4.41Å; W58-P65 WeakPolarHBondContact CH2-O 3.24Å; W58-G68 VanDerWaalsContact CE2-CA 3.44Å; W58-G68 VanDerWaalsContact CZ2-N 3.32Å; W58-G68 VanDerWaalsContact NE1-C 3.34Å; W58-G68 VanDerWaalsContact NE1-CA 3.33Å; W58-G68 PolarHBondContact NE1-O 3.23Å; W58-V70 HydrophobicContact CB-CG2 4.17Å |
| 59 | Q | 89.2 | Confident | 88.3 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.7 | -179.6 | -63.2 | -65.7 | -8.9 | 0 | 0 | 110.6 | G68 V69 | Q59-G68 CarbonylContact O-C 3.09Å; Q59-G68 WeakPolarHBondContact O-CA 3.43Å; Q59-V69 PolarHBondContact N-O 3.3Å; Q59-V69 PolarHBondContact O-N 2.87Å |
| 60 | P | 88.3 | Confident | 88.8 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 41% | 0.409 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 140 | 178.9 | 27.5 | -33.9 | 0 | 0 | 0 | 111.6 | W58 | W58-P60 HydrophobicContact CH2-CB 3.96Å; W58-P60 HydrophobicContact CZ3-CB 3.84Å; W58-P60 HydrophobicContact CZ3-CG 4.41Å |
| 61 | G | 85.3 | Confident | 88.8 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 135.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | K63 N64 R67 | G61-K63 PolarHBondContact O-N 2.89Å; G61-N64 CarbonylContact O-C 3.51Å; G61-N64 PolarHBondContact O-N 3.11Å; G61-N64 VanDerWaalsContact O-O 3.05Å; G61-R67 VanDerWaalsContact CA-O 3.28Å; G61-R67 WeakPolarHBondContact CA-O 3.44Å; G61-R67 PolarHBondContact N-O 3.43Å |
| 62 | I | 85.2 | Confident | 88.6 | Confident | 183 Ų | 183 | 69 Ų | 69 | 94% | 0.938 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.4 | -176.7 | -56.4 | 170.7 | 0 | 0 | 0 | 112.9 | ||
| 63 | K | 80.8 | Confident | 87.7 | Confident | 215 Ų | 215 | 71.6 Ų | 71.6 | 94% | 0.935 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14.2 | 179.8 | -64.8 | -172.5 | 177.8 | -175.5 | 0 | 114.8 | G61 | G61-K63 PolarHBondContact O-N 2.89Š|
| 64 | N | 83.2 | Confident | 87 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 106 | 179.3 | 174.9 | -1.3 | 0 | 0 | 0 | 109.2 | G61 Y66 R67 | G61-N64 CarbonylContact O-C 3.51Å; G61-N64 PolarHBondContact O-N 3.11Å; G61-N64 VanDerWaalsContact O-O 3.05Å; N64-Y66 PolarHBondContact O-N 2.82Å; N64-Y66 PolarHBondContact OD1-N 3.42Å; N64-R67 HydrophobicContact CB-CB 4.13Å; N64-R67 PolarHBondContact O-N 3.15Å; N64-R67 VanDerWaalsContact O-O 3.1Å |
| 65 | P | 84.3 | Confident | 86.4 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -1.1 | -174.7 | 29.3 | -36.4 | 0 | 0 | 0 | 114.4 | Q36 W58 | Q36-P65 PolarHBondContact NE2-O 3.44Å; W58-P65 WeakPolarHBondContact CH2-O 3.24Å |
| 66 | Y | 88 | Confident | 86.1 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -9.9 | 172.8 | -51.2 | -73.4 | 0 | 0 | 0 | 113.3 | C31 K33 Q36 N64 | C31-Y66 PolarHBondContact N-O 2.97Å; K33-Y66 HydrophobicContact CB-CD2 4.35Å; K33-Y66 HydrophobicContact CB-CE1 4.34Å; K33-Y66 HydrophobicContact CB-CE2 4.02Å; K33-Y66 HydrophobicContact CG-CD2 3.94Å; K33-Y66 HydrophobicContact CG-CE2 3.9Å; K33-Y66 HydrophobicContact CG-CG 4.48Å; K33-Y66 WeakPolarHBondContact O-CE1 3.47Å; K33-Y66 PolarHBondContact O-OH 2.92Å; Q36-Y66 HydrophobicContact CG-CD1 4.49Å; N64-Y66 PolarHBondContact O-N 2.82Å; N64-Y66 PolarHBondContact OD1-N 3.42Å |
| 67 | R | 90.4 | Very high | 86.1 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 46% | 0.46 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 103.7 | 171.8 | 178.9 | 179.4 | 165.1 | -150.3 | -3.5 | 108.6 | M28 E30 G61 N64 | M28-R67 HydrophobicContact CG-CG 4.49Å; M28-R67 PolarHBondContact SD-NE 2.83Å; M28-R67 PolarHBondContact SD-NH2 2.89Å; E30-R67 HydrophobicContact CB-CB 4.35Å; E30-R67 HydrophobicContact CB-CG 4.31Å; E30-R67 HydrophobicContact CG-CB 4.17Å; G61-R67 VanDerWaalsContact CA-O 3.28Å; G61-R67 WeakPolarHBondContact CA-O 3.44Å; G61-R67 PolarHBondContact N-O 3.43Å; N64-R67 HydrophobicContact CB-CB 4.13Å; N64-R67 PolarHBondContact O-N 3.15Å; N64-R67 VanDerWaalsContact O-O 3.1Å |
| 68 | G | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V29 W58 Q59 | V29-G68 PolarHBondContact N-O 2.94Å; V29-G68 PolarHBondContact O-N 3.39Å; W58-G68 VanDerWaalsContact CE2-CA 3.44Å; W58-G68 VanDerWaalsContact CZ2-N 3.32Å; W58-G68 VanDerWaalsContact NE1-C 3.34Å; W58-G68 VanDerWaalsContact NE1-CA 3.33Å; W58-G68 PolarHBondContact NE1-O 3.23Å; Q59-G68 CarbonylContact O-C 3.09Å; Q59-G68 WeakPolarHBondContact O-CA 3.43Å |
| 69 | V | 91.6 | Very high | 86.3 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.6 | -173 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | E26 L27 M28 Q59 V71 | E26-V69 HydrophobicContact CG-CG1 3.42Å; E26-V69 VanDerWaalsContact CG-CG1 3.42Å; L27-V69 CarbonylContact O-C 3.53Å; L27-V69 WeakPolarHBondContact O-CA 3.39Å; M28-V69 HydrophobicContact CB-CG2 4.48Å; M28-V69 HydrophobicContact CE-CG2 4.26Å; M28-V69 HydrophobicContact CG-CG2 4.22Å; Q59-V69 PolarHBondContact N-O 3.3Å; Q59-V69 PolarHBondContact O-N 2.87Å; V69-V71 HydrophobicContact CG1-CG2 3.68Å |
| 70 | V | 91.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.9 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 106.4 | E26 L27 L40 H56 W58 W72 | E26-V70 WeakPolarHBondContact CA-O 3.45Å; L27-V70 HydrophobicContact CB-CB 4.24Å; L27-V70 PolarHBondContact N-O 3.09Å; L27-V70 PolarHBondContact O-N 3.1Å; L40-V70 HydrophobicContact CB-CG2 4.31Å; L40-V70 HydrophobicContact CD1-CG2 4.04Å; H56-V70 HydrophobicContact CB-CG1 3.52Å; W58-V70 HydrophobicContact CB-CG2 4.17Å; V70-W72 HydrophobicContact CB-CH2 4.39Å; V70-W72 HydrophobicContact CB-CZ3 4.16Å; V70-W72 HydrophobicContact CG1-CD2 4.37Å; V70-W72 HydrophobicContact CG1-CE3 3.99Å; V70-W72 HydrophobicContact CG1-CH2 3.76Å; V70-W72 HydrophobicContact CG1-CZ2 4.15Å; V70-W72 HydrophobicContact CG1-CZ3 3.68Å |
| 71 | V | 87.6 | Confident | 86.6 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.2 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | V69 P73 | V69-V71 HydrophobicContact CG1-CG2 3.68Å; V71-P73 WeakPolarHBondContact O-CD 3.43Å |
| 72 | W | 87.5 | Confident | 86.9 | Confident | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 99.2 | 170.4 | -77.4 | -100.9 | 0 | 0 | 0 | 108.8 | Y24 Q25 L27 V42 H56 V70 V74 E76 L150 | Y24-W72 HydrophobicContact CD2-CZ2 4.38Å; Y24-W72 HydrophobicContact CG-CZ2 4.33Å; Y24-W72 VanDerWaalsContact O-CB 3.29Å; Y24-W72 WeakPolarHBondContact O-CB 3.41Å; Q25-W72 PolarHBondContact O-N 3.33Å; L27-W72 HydrophobicContact CB-CH2 3.78Å; L27-W72 HydrophobicContact CB-CZ3 3.53Å; L27-W72 HydrophobicContact CD2-CH2 4.3Å; V42-W72 HydrophobicContact CG2-CH2 3.91Å; V42-W72 HydrophobicContact CG2-CZ2 4.23Å; H56-W72 AromaticContact CD2-CE2 3.74Å; H56-W72 AromaticContact CD2-CZ2 3.87Å; H56-W72 AromaticContact CD2-NE1 3.38Å; H56-W72 PolarHBondContact CD2-NE1 3.33Å; H56-W72 AromaticContact CE1-CD1 3.92Å; H56-W72 AromaticContact CE1-NE1 3.76Å; H56-W72 AromaticContact NE2-CD1 3.69Å; H56-W72 AromaticContact NE2-CE2 3.92Å; H56-W72 AromaticContact NE2-NE1 3.09Å; H56-W72 PolarHBondContact NE2-NE1 2.91Å; V70-W72 HydrophobicContact CB-CH2 4.39Å; V70-W72 HydrophobicContact CB-CZ3 4.16Å; V70-W72 HydrophobicContact CG1-CD2 4.37Å; V70-W72 HydrophobicContact CG1-CE3 3.99Å; V70-W72 HydrophobicContact CG1-CH2 3.76Å; V70-W72 HydrophobicContact CG1-CZ2 4.15Å; V70-W72 HydrophobicContact CG1-CZ3 3.68Å; W72-V74 PolarHBondContact O-N 3.12Å; W72-E76 VanDerWaalsContact CD1-CB 3.42Å; W72-E76 PolarHBondContact NE1-OE2 3.33Å; W72-E76 VanDerWaalsContact NE1-OE2 3.08Å; W72-L150 HydrophobicContact CH2-CD1 4.48Å; W72-L150 HydrophobicContact CZ3-CD1 4.42Å |
| 73 | P | 73.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 59 Ų | 59 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | -25.7 | -178.4 | 28.4 | -35.8 | 0 | 0 | 0 | 112.6 | V71 | V71-P73 WeakPolarHBondContact O-CD 3.43Å |
| 74 | V | 77.5 | Confident | 87.8 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 62% | 0.624 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.4 | 159.3 | 179.6 | 0 | 0 | 0 | 0 | 105.7 | W72 E76 | W72-V74 PolarHBondContact O-N 3.12Å; V74-E76 PolarHBondContact O-N 3.35Å |
| 75 | P | 79.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 132 | -178.6 | -28.4 | 36.8 | 0 | 0 | 0 | 112.6 | S23 Y24 N77 | S23-P75 WeakPolarHBondContact OG-CB 3.43Å; Y24-P75 WeakPolarHBondContact O-CA 3.25Å; Y24-P75 WeakPolarHBondContact O-CB 3.48Å; P75-N77 PolarHBondContact O-N 2.83Å |
| 76 | E | 84.6 | Confident | 88.5 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107.7 | 178.5 | -177.1 | 175.8 | 178.1 | 0 | 0 | 110.2 | Y24 S53 K54 H56 W72 V74 | Y24-E76 HydrophobicContact CD2-CB 4.37Å; Y24-E76 WeakPolarHBondContact CD2-O 3.22Å; Y24-E76 PolarHBondContact N-O 2.92Å; S53-E76 VanDerWaalsContact CA-OE1 3.31Å; S53-E76 WeakPolarHBondContact CA-OE1 3.35Å; K54-E76 WeakPolarHBondContact CG-OE1 3.16Å; K54-E76 PolarHBondContact N-OE1 3.06Å; H56-E76 IonicContact CD2-OE2 2.78Å; H56-E76 IonicContact CE1-OE2 2.75Å; H56-E76 IonicContact NE2-OE2 3.49Å; H56-E76 PolarHBondContact NE2-OE2 2.67Å; W72-E76 VanDerWaalsContact CD1-CB 3.42Å; W72-E76 PolarHBondContact NE1-OE2 3.33Å; W72-E76 VanDerWaalsContact NE1-OE2 3.08Å; V74-E76 PolarHBondContact O-N 3.35Å |
| 77 | N | 90.2 | Very high | 88.4 | Confident | 108 Ų | 108 | 45.1 Ų | 45.1 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.9 | 177 | -66.2 | -14.4 | 0 | 0 | 0 | 110.6 | V21 A22 S23 P75 | V21-N77 HydrophobicContact CG1-CB 3.81Å; A22-N77 WeakPolarHBondContact O-CA 3.31Å; S23-N77 WeakPolarHBondContact CB-OD1 3.03Å; S23-N77 PolarHBondContact OG-OD1 2.9Å; P75-N77 PolarHBondContact O-N 2.83Å |
| 78 | I | 91.3 | Very high | 87.9 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.2 | 166.9 | -47.7 | -174.2 | 0 | 0 | 0 | 108.6 | V21 A22 Y24 W44 K51 | V21-I78 CarbonylContact C-O 3.56Å; V21-I78 WeakPolarHBondContact CA-O 3.43Å; A22-I78 PolarHBondContact N-O 3.47Å; A22-I78 PolarHBondContact O-N 3.18Å; Y24-I78 HydrophobicContact CE2-CD1 3.63Å; Y24-I78 HydrophobicContact CE2-CG1 3.9Å; W44-I78 WeakPolarHBondContact CH2-O 3.33Å; W44-I78 VanDerWaalsContact CZ2-C 3.48Å; W44-I78 HydrophobicContact CZ2-CB 4Å; W44-I78 HydrophobicContact CZ2-CG2 3.83Å; W44-I78 WeakPolarHBondContact CZ2-O 3.37Å; K51-I78 HydrophobicContact CB-CG2 3.96Å; K51-I78 HydrophobicContact CD-CG2 3.99Å |
| 79 | E | 92.8 | Very high | 87.3 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 34% | 0.341 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.2 | -174 | 56.8 | 97.6 | -114.8 | 0 | 0 | 114.3 | Q19 F20 V21 K51 | Q19-E79 PolarHBondContact NE2-OE2 3.1Å; F20-E79 CarbonylContact O-C 3.49Å; F20-E79 VanDerWaalsContact O-CA 3.28Å; F20-E79 WeakPolarHBondContact O-CA 3.34Å; V21-E79 HydrophobicContact CG1-CB 4.35Å; V21-E79 HydrophobicContact CG2-CB 4Å; K51-E79 WeakPolarHBondContact CD-O 3.47Å; K51-E79 WeakPolarHBondContact CE-O 3.5Å; K51-E79 PolarHBondContact NZ-O 2.81Å; K51-E79 IonicContact NZ-OE1 2.88Å; K51-E79 PolarHBondContact NZ-OE1 3.43Å |
| 80 | I | 91.9 | Very high | 86.9 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.5 | 175.3 | 53.5 | 178.2 | 0 | 0 | 0 | 111.5 | F20 W44 K51 V82 W98 M121 | F20-I80 HydrophobicContact CB-CG1 4.03Å; F20-I80 PolarHBondContact N-O 3.42Å; F20-I80 PolarHBondContact O-N 3.08Å; W44-I80 HydrophobicContact CD2-CD1 3.94Å; W44-I80 HydrophobicContact CD2-CG2 4.36Å; W44-I80 HydrophobicContact CE3-CD1 3.56Å; W44-I80 HydrophobicContact CE3-CG1 4.26Å; W44-I80 HydrophobicContact CH2-CB 4.36Å; W44-I80 HydrophobicContact CH2-CD1 3.74Å; W44-I80 HydrophobicContact CH2-CG1 3.48Å; W44-I80 VanDerWaalsContact CH2-CG1 3.48Å; W44-I80 HydrophobicContact CH2-CG2 4.33Å; W44-I80 HydrophobicContact CZ2-CB 4.1Å; W44-I80 HydrophobicContact CZ2-CD1 4.04Å; W44-I80 HydrophobicContact CZ2-CG1 3.7Å; W44-I80 HydrophobicContact CZ2-CG2 3.62Å; W44-I80 HydrophobicContact CZ3-CD1 3.46Å; W44-I80 VanDerWaalsContact CZ3-CD1 3.46Å; W44-I80 HydrophobicContact CZ3-CG1 3.76Å; K51-I80 HydrophobicContact CD-CG2 4.5Å; I80-V82 HydrophobicContact CB-CG2 4.35Å; I80-V82 HydrophobicContact CD1-CG2 3.74Å; I80-V82 HydrophobicContact CG1-CG2 3.77Å; I80-W98 HydrophobicContact CB-CH2 4.2Å; I80-W98 HydrophobicContact CD1-CD2 3.85Å; I80-W98 HydrophobicContact CD1-CE3 3.91Å; I80-W98 HydrophobicContact CD1-CH2 3.71Å; I80-W98 HydrophobicContact CD1-CZ2 3.64Å; I80-W98 HydrophobicContact CD1-CZ3 3.85Å; I80-W98 HydrophobicContact CG2-CH2 3.94Å; I80-W98 HydrophobicContact CG2-CZ3 4.19Å; I80-M121 HydrophobicContact CD1-CE 3.99Å |
| 81 | T | 92.7 | Very high | 86.2 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.2 | 168.9 | -26.1 | 0 | 0 | 0 | 0 | 111.4 | K17 F18 L159 | K17-T81 HydrophobicContact CG-CG2 3.87Å; F18-T81 CarbonylContact O-C 3.54Å; F18-T81 WeakPolarHBondContact O-CA 3.25Å; T81-L159 HydrophobicContact CG2-CD1 3.82Å |
| 82 | V | 91.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 94.1 | -165.8 | -178.2 | 0 | 0 | 0 | 0 | 110 | F18 F20 I80 L84 K96 W98 M121 | F18-V82 PolarHBondContact N-O 3.13Å; F18-V82 VanDerWaalsContact N-O 3.15Å; F18-V82 PolarHBondContact O-N 3.05Å; F20-V82 HydrophobicContact CD2-CB 3.65Å; F20-V82 HydrophobicContact CD2-CG1 4.19Å; F20-V82 HydrophobicContact CD2-CG2 3.59Å; F20-V82 HydrophobicContact CE2-CB 3.77Å; F20-V82 HydrophobicContact CE2-CG1 3.9Å; F20-V82 HydrophobicContact CE2-CG2 4.17Å; I80-V82 HydrophobicContact CB-CG2 4.35Å; I80-V82 HydrophobicContact CD1-CG2 3.74Å; I80-V82 HydrophobicContact CG1-CG2 3.77Å; V82-L84 PolarHBondContact O-N 3.07Å; V82-K96 HydrophobicContact CG1-CD 3.6Å; V82-W98 HydrophobicContact CG2-CZ2 4.04Å; V82-M121 HydrophobicContact CG1-CB 4.1Å; V82-M121 HydrophobicContact CG1-CG 4.35Å |
| 83 | T | 92.4 | Very high | 86.3 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 106.2 | 169.8 | -29.8 | 0 | 0 | 0 | 0 | 112.1 | A15 S16 K17 F85 K96 D168 | A15-T83 HydrophobicContact CB-CG2 3.93Å; S16-T83 CarbonylContact O-C 3.52Å; S16-T83 WeakPolarHBondContact O-CA 3.42Å; K17-T83 HydrophobicContact CB-CG2 4.43Å; T83-F85 HydrophobicContact CG2-CE1 4.49Å; T83-F85 HydrophobicContact CG2-CZ 4.26Å; T83-K96 VanDerWaalsContact C-NZ 3.28Å; T83-K96 PolarHBondContact O-NZ 3.19Å; T83-D168 HydrophobicContact CG2-CB 4.05Å |
| 84 | L | 92.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 158.7 | 165.5 | -70 | 171.6 | 0 | 0 | 0 | 109.3 | A15 S16 F18 V82 F93 K96 A125 | A15-L84 WeakPolarHBondContact CA-O 3.19Å; S16-L84 PolarHBondContact N-O 3.25Å; S16-L84 PolarHBondContact O-N 3.23Å; F18-L84 HydrophobicContact CD2-CB 4.33Å; F18-L84 HydrophobicContact CD2-CD1 3.89Å; F18-L84 HydrophobicContact CD2-CG 4.19Å; F18-L84 HydrophobicContact CE2-CB 4.11Å; F18-L84 HydrophobicContact CE2-CD1 3.76Å; F18-L84 HydrophobicContact CE2-CG 4.27Å; V82-L84 PolarHBondContact O-N 3.07Å; L84-F93 HydrophobicContact CB-CB 4.04Å; L84-F93 HydrophobicContact CB-CD1 3.63Å; L84-F93 HydrophobicContact CB-CE1 4.24Å; L84-F93 HydrophobicContact CB-CG 3.8Å; L84-F93 HydrophobicContact CD1-CB 4.09Å; L84-F93 HydrophobicContact CD1-CD1 4.45Å; L84-F93 HydrophobicContact CD1-CD2 3.83Å; L84-F93 HydrophobicContact CD1-CE2 4.42Å; L84-F93 HydrophobicContact CD1-CG 3.85Å; L84-F93 HydrophobicContact CD2-CB 4.41Å; L84-F93 HydrophobicContact CG-CB 4.42Å; L84-F93 HydrophobicContact CG-CG 4.37Å; L84-K96 HydrophobicContact CD2-CB 3.41Å; L84-K96 VanDerWaalsContact CD2-CB 3.41Å; L84-K96 HydrophobicContact CD2-CD 3.6Å; L84-K96 HydrophobicContact CD2-CG 4.12Å; L84-K96 HydrophobicContact CG-CD 4.41Å; L84-A125 HydrophobicContact CD1-CB 3.32Å |
| 85 | F | 90.7 | Very high | 87.7 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.9 | 173.9 | -61.7 | -85 | 0 | 0 | 0 | 108.6 | R10 K13 H14 A15 T83 F93 E94 A164 D168 | R10-F85 VanDerWaalsContact CD-CE1 3.5Å; R10-F85 VanDerWaalsContact CD-CE2 3.5Å; R10-F85 VanDerWaalsContact CD-CZ 3.47Å; K13-F85 HydrophobicContact CD-CB 4.48Å; H14-F85 CarbonylContact O-C 3.56Å; H14-F85 WeakPolarHBondContact O-CA 3.28Å; A15-F85 HydrophobicContact CB-CD1 3.79Å; A15-F85 HydrophobicContact CB-CE1 3.62Å; T83-F85 HydrophobicContact CG2-CE1 4.49Å; T83-F85 HydrophobicContact CG2-CZ 4.26Å; F85-F93 CarbonylContact O-C 3.53Å; F85-F93 WeakPolarHBondContact O-CA 3.47Å; F85-E94 HydrophobicContact CB-CG 4.41Å; F85-E94 PolarHBondContact O-N 2.87Å; F85-A164 HydrophobicContact CD1-CB 4.3Å; F85-A164 HydrophobicContact CE1-CB 4.05Å; F85-D168 HydrophobicContact CE1-CB 4.49Å |
| 86 | K | 90.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 152.1 | 168.5 | 64.5 | -175.9 | -178 | -165.5 | 0 | 109 | H14 E92 F93 E161 | H14-K86 HydrophobicContact CB-CG 3.89Å; H14-K86 PolarHBondContact N-O 2.84Å; H14-K86 PolarHBondContact O-N 3.18Å; K86-E92 WeakPolarHBondContact CB-O 3.37Å; K86-F93 HydrophobicContact CB-CD1 3.8Å; K86-F93 HydrophobicContact CB-CE1 4.18Å; K86-F93 HydrophobicContact CD-CD1 4.2Å; K86-F93 HydrophobicContact CD-CE1 3.73Å; K86-F93 HydrophobicContact CD-CZ 4.34Å; K86-F93 HydrophobicContact CG-CD1 4.17Å; K86-F93 HydrophobicContact CG-CE1 4.04Å; K86-E161 WeakPolarHBondContact CE-OE1 3.35Å; K86-E161 WeakPolarHBondContact CE-OE2 3.39Å; K86-E161 IonicContact NZ-OE1 3.43Å; K86-E161 PolarHBondContact NZ-OE1 2.87Å; K86-E161 IonicContact NZ-OE2 2.79Å; K86-E161 PolarHBondContact NZ-OE2 3.45Å |
| 87 | D | 86.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | trans | -75.3 | 150.1 | 173.1 | -68.6 | -62.6 | 0 | 0 | 0 | 109.9 | K13 H89 A90 | K13-D87 WeakPolarHBondContact CD-OD1 3.34Å; K13-D87 WeakPolarHBondContact CE-OD1 3.27Å; K13-D87 WeakPolarHBondContact CG-OD1 3.47Å; K13-D87 IonicContact NZ-OD1 2.88Å; K13-D87 PolarHBondContact NZ-OD1 3.37Å; K13-D87 IonicContact NZ-OD2 3.12Å; K13-D87 PolarHBondContact NZ-OD2 2.85Å; D87-H89 PolarHBondContact O-N 3.47Å; D87-A90 HydrophobicContact CB-CB 3.96Å; D87-A90 PolarHBondContact O-N 3Å | ||
| 88 | P | 80.7 | Confident | 89 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20 | -177.5 | -26.8 | 36 | 0 | 0 | 0 | 115.4 | G12 | G12-P88 VanDerWaalsContact O-CD 3.32Å; G12-P88 WeakPolarHBondContact O-CD 3.32Å; G12-P88 WeakPolarHBondContact O-CG 3.39Å |
| 89 | H | 76.8 | Confident | 89.1 | Confident | 191 Ų | 191 | 61.2 Ų | 61.2 | 88% | 0.884 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 13.9 | 179.2 | -49.3 | -61.8 | 0 | 0 | 0 | 112.4 | D87 | D87-H89 PolarHBondContact O-N 3.47Š|
| 90 | A | 82.2 | Confident | 89.3 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | trans | -120.9 | 122.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D87 E92 | D87-A90 HydrophobicContact CB-CB 3.96Å; D87-A90 PolarHBondContact O-N 3Å; A90-E92 PolarHBondContact O-N 2.84Å | ||
| 91 | E | 77.4 | Confident | 89.4 | Confident | 195 Ų | 195 | 58 Ų | 58 | 91% | 0.911 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -70.9 | -23.5 | 174.7 | -60.2 | -178.3 | 159.6 | 0 | 0 | 111.7 | ||
| 92 | E | 85.7 | Confident | 89.6 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.621 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -92.2 | 144.5 | 179.4 | -69.1 | -166.3 | -169.5 | 0 | 0 | 114.4 | K86 A90 K122 | K86-E92 WeakPolarHBondContact CB-O 3.37Å; A90-E92 PolarHBondContact O-N 2.84Å; E92-K122 VanDerWaalsContact OE2-CE 3.25Å; E92-K122 WeakPolarHBondContact OE2-CE 3.37Å; E92-K122 IonicContact OE2-NZ 3.84Å; E92-K122 PolarHBondContact OE2-NZ 3.12Å |
| 93 | F | 90.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 158.7 | 170.5 | -61.9 | -65.8 | 0 | 0 | 0 | 114.2 | S16 F18 L84 F85 K86 K122 A125 | S16-F93 VanDerWaalsContact OG-CE1 3.31Å; S16-F93 WeakPolarHBondContact OG-CE1 3.41Å; F18-F93 HydrophobicContact CE2-CE1 4.3Å; F18-F93 HydrophobicContact CE2-CE2 4.03Å; F18-F93 AromaticContact CE2-CZ 3.83Å; F18-F93 HydrophobicContact CE2-CZ 3.83Å; F18-F93 AromaticContact CZ-CE2 3.78Å; F18-F93 HydrophobicContact CZ-CE2 3.78Å; F18-F93 AromaticContact CZ-CZ 3.67Å; F18-F93 HydrophobicContact CZ-CZ 3.67Å; L84-F93 HydrophobicContact CB-CB 4.04Å; L84-F93 HydrophobicContact CB-CD1 3.63Å; L84-F93 HydrophobicContact CB-CE1 4.24Å; L84-F93 HydrophobicContact CB-CG 3.8Å; L84-F93 HydrophobicContact CD1-CB 4.09Å; L84-F93 HydrophobicContact CD1-CD1 4.45Å; L84-F93 HydrophobicContact CD1-CD2 3.83Å; L84-F93 HydrophobicContact CD1-CE2 4.42Å; L84-F93 HydrophobicContact CD1-CG 3.85Å; L84-F93 HydrophobicContact CD2-CB 4.41Å; L84-F93 HydrophobicContact CG-CB 4.42Å; L84-F93 HydrophobicContact CG-CG 4.37Å; F85-F93 CarbonylContact O-C 3.53Å; F85-F93 WeakPolarHBondContact O-CA 3.47Å; K86-F93 HydrophobicContact CB-CD1 3.8Å; K86-F93 HydrophobicContact CB-CE1 4.18Å; K86-F93 HydrophobicContact CD-CD1 4.2Å; K86-F93 HydrophobicContact CD-CE1 3.73Å; K86-F93 HydrophobicContact CD-CZ 4.34Å; K86-F93 HydrophobicContact CG-CD1 4.17Å; K86-F93 HydrophobicContact CG-CE1 4.04Å; F93-K122 HydrophobicContact CB-CG 4.24Å; F93-K122 WeakPolarHBondContact O-CD 3.4Å; F93-K122 WeakPolarHBondContact O-CE 3.44Å; F93-K122 PolarHBondContact O-NZ 3.35Å; F93-A125 HydrophobicContact CD2-CB 4.38Å; F93-A125 HydrophobicContact CE2-CB 4.43Å |
| 94 | E | 90.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 144 | 164.5 | -71.2 | -174.4 | 175 | 0 | 0 | 112 | K13 F85 K96 | K13-E94 WeakPolarHBondContact CD-OE1 3.42Å; K13-E94 WeakPolarHBondContact CE-OE1 3.37Å; K13-E94 IonicContact NZ-OE1 2.83Å; K13-E94 PolarHBondContact NZ-OE1 3.39Å; F85-E94 HydrophobicContact CB-CG 4.41Å; F85-E94 PolarHBondContact O-N 2.87Å; E94-K96 PolarHBondContact O-N 2.78Å |
| 95 | D | 91.6 | Very high | 89.8 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 57% | 0.567 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 130.6 | 176.1 | -76.5 | -17.9 | 0 | 0 | 0 | 112.7 | N120 K122 | D95-N120 VanDerWaalsContact CG-ND2 3.27Å; D95-N120 PolarHBondContact OD1-ND2 3.08Å; D95-K122 WeakPolarHBondContact OD1-CD 3.48Å; D95-K122 IonicContact OD1-NZ 2.79Å |
| 96 | K | 92.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | trans | -135.7 | 66.6 | -173.6 | -158.2 | 176.7 | 172.1 | -177.2 | 0 | 111.9 | R46 V82 T83 L84 E94 W98 N120 M121 | R46-K96 VanDerWaalsContact CZ-CG 3.41Å; V82-K96 HydrophobicContact CG1-CD 3.6Å; T83-K96 VanDerWaalsContact C-NZ 3.28Å; T83-K96 PolarHBondContact O-NZ 3.19Å; L84-K96 HydrophobicContact CD2-CB 3.41Å; L84-K96 VanDerWaalsContact CD2-CB 3.41Å; L84-K96 HydrophobicContact CD2-CD 3.6Å; L84-K96 HydrophobicContact CD2-CG 4.12Å; L84-K96 HydrophobicContact CG-CD 4.41Å; E94-K96 PolarHBondContact O-N 2.78Å; K96-W98 PolarHBondContact O-N 2.97Å; K96-N120 PolarHBondContact N-OD1 3.41Å; K96-M121 PolarHBondContact O-N 3.08Å | ||
| 97 | E | 92.9 | Very high | 89 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 131.8 | 172.5 | -68.8 | -160.8 | 115.5 | 0 | 0 | 113.1 | R46 S118 I119 | R46-E97 WeakPolarHBondContact CD-O 3.38Å; R46-E97 PolarHBondContact NE-O 2.68Å; E97-S118 PolarHBondContact OE1-OG 3.31Å; E97-S118 VanDerWaalsContact OE1-OG 3.14Å; E97-I119 CarbonylContact C-O 3.52Å; E97-I119 VanDerWaalsContact CA-O 3.3Å; E97-I119 WeakPolarHBondContact CA-O 3.47Å |
| 98 | W | 94.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.011 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.3 | 161.1 | -79.7 | 73.2 | 0 | 0 | 0 | 109.4 | R46 R49 I80 V82 K96 S118 I119 M121 | R46-W98 HydrophobicContact CB-CD2 3.58Å; R46-W98 HydrophobicContact CB-CE3 3.6Å; R46-W98 HydrophobicContact CB-CG 4.1Å; R46-W98 HydrophobicContact CB-CH2 4.23Å; R46-W98 HydrophobicContact CB-CZ2 4.2Å; R46-W98 HydrophobicContact CB-CZ3 3.94Å; R46-W98 HydrophobicContact CG-CD2 4.39Å; R49-W98 HydrophobicContact CB-CH2 4.09Å; R49-W98 HydrophobicContact CB-CZ3 4.41Å; I80-W98 HydrophobicContact CB-CH2 4.2Å; I80-W98 HydrophobicContact CD1-CD2 3.85Å; I80-W98 HydrophobicContact CD1-CE3 3.91Å; I80-W98 HydrophobicContact CD1-CH2 3.71Å; I80-W98 HydrophobicContact CD1-CZ2 3.64Å; I80-W98 HydrophobicContact CD1-CZ3 3.85Å; I80-W98 HydrophobicContact CG2-CH2 3.94Å; I80-W98 HydrophobicContact CG2-CZ3 4.19Å; V82-W98 HydrophobicContact CG2-CZ2 4.04Å; K96-W98 PolarHBondContact O-N 2.97Å; W98-S118 VanDerWaalsContact O-CA 3.3Å; W98-S118 WeakPolarHBondContact O-CA 3.48Å; W98-I119 HydrophobicContact CB-CG2 4.33Å; W98-I119 PolarHBondContact N-O 2.91Å; W98-I119 PolarHBondContact O-N 3.2Å; W98-M121 HydrophobicContact CB-CE 3.85Å; W98-M121 HydrophobicContact CD2-CE 4.43Å; W98-M121 HydrophobicContact CG-CE 3.81Å; W98-M121 HydrophobicContact CG-CG 4.12Å |
| 99 | T | 94.8 | Very high | 88.6 | Confident | 51 Ų | 51 | 63 Ų | 63 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.8 | -177 | -51.4 | 0 | 0 | 0 | 0 | 110 | W44 T45 V101 T116 S117 | W44-T99 CarbonylContact C-O 3.53Å; W44-T99 WeakPolarHBondContact CA-O 3.43Å; T45-T99 WeakPolarHBondContact CG2-O 3.08Å; T45-T99 PolarHBondContact N-O 3.46Å; T45-T99 PolarHBondContact O-N 3.21Å; T99-V101 HydrophobicContact CG2-CG2 4.17Å; T99-T116 WeakPolarHBondContact CG2-OG1 3.41Å; T99-S117 CarbonylContact C-O 3.5Å; T99-S117 WeakPolarHBondContact CA-O 3.33Å |
| 100 | F | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.3 | 167.2 | -76.8 | -107.8 | 0 | 0 | 0 | 109.6 | Y24 V42 V43 W44 T116 S117 I119 L136 F138 L150 F152 | Y24-F100 HydrophobicContact CE1-CE1 4.03Å; V42-F100 HydrophobicContact CG1-CD1 3.88Å; V42-F100 HydrophobicContact CG1-CE1 4.41Å; V43-F100 CarbonylContact O-C 3.6Å; V43-F100 WeakPolarHBondContact O-CA 3.45Å; W44-F100 HydrophobicContact CB-CD1 4.15Å; W44-F100 HydrophobicContact CB-CD2 4.23Å; W44-F100 HydrophobicContact CB-CE1 3.96Å; W44-F100 HydrophobicContact CB-CE2 4.03Å; W44-F100 HydrophobicContact CB-CG 4.29Å; W44-F100 HydrophobicContact CB-CZ 3.92Å; W44-F100 HydrophobicContact CD2-CZ 4.13Å; W44-F100 HydrophobicContact CE3-CE1 4.21Å; W44-F100 HydrophobicContact CE3-CE2 4.01Å; W44-F100 AromaticContact CE3-CZ 3.45Å; W44-F100 HydrophobicContact CE3-CZ 3.45Å; W44-F100 VanDerWaalsContact CE3-CZ 3.45Å; W44-F100 HydrophobicContact CG-CE1 4.5Å; W44-F100 HydrophobicContact CG-CZ 4.4Å; W44-F100 HydrophobicContact CZ3-CZ 4.21Å; F100-T116 CarbonylContact O-C 3.58Å; F100-T116 WeakPolarHBondContact O-CA 3.47Å; F100-T116 WeakPolarHBondContact O-CB 3.35Å; F100-T116 PolarHBondContact O-OG1 3.11Å; F100-S117 PolarHBondContact N-O 3.48Å; F100-S117 PolarHBondContact O-N 3.38Å; F100-I119 HydrophobicContact CD2-CG2 3.99Å; F100-I119 HydrophobicContact CE2-CG2 3.65Å; F100-L136 HydrophobicContact CB-CD1 4.31Å; F100-L136 HydrophobicContact CD2-CD1 3.87Å; F100-L136 HydrophobicContact CE2-CD1 4.35Å; F100-L136 HydrophobicContact CG-CD1 3.99Å; F100-F138 HydrophobicContact CB-CE1 3.71Å; F100-F138 HydrophobicContact CB-CZ 3.68Å; F100-L150 HydrophobicContact CD1-CD2 4.22Å; F100-F152 HydrophobicContact CE1-CE2 4.43Å; F100-F152 HydrophobicContact CE1-CZ 4.31Å; F100-F152 HydrophobicContact CE2-CZ 4.45Å; F100-F152 HydrophobicContact CZ-CE2 4.07Å; F100-F152 AromaticContact CZ-CZ 3.96Å; F100-F152 HydrophobicContact CZ-CZ 3.96Å |
| 101 | V | 95.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.1 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 108 | V43 T45 T99 E103 A113 A115 | V43-V101 HydrophobicContact CB-CB 4.34Å; V43-V101 PolarHBondContact N-O 3.12Å; V43-V101 PolarHBondContact O-N 3.04Å; T45-V101 HydrophobicContact CG2-CG2 4.16Å; T99-V101 HydrophobicContact CG2-CG2 4.17Å; V101-E103 HydrophobicContact CG1-CG 4.04Å; V101-A113 HydrophobicContact CG1-CB 3.67Å; V101-A115 WeakPolarHBondContact CA-O 3.48Å |
| 102 | I | 95.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.9 | 169.9 | -63.3 | 155.6 | 0 | 0 | 0 | 107.3 | L27 L40 L114 A115 F138 A148 | L27-I102 HydrophobicContact CD1-CD1 3.6Å; L27-I102 HydrophobicContact CD1-CG1 4.11Å; L27-I102 HydrophobicContact CD2-CG1 4.32Å; L27-I102 HydrophobicContact CD2-CG2 4.21Å; L40-I102 HydrophobicContact CD2-CG2 4.05Å; I102-L114 HydrophobicContact CG2-CD1 4.25Å; I102-L114 PolarHBondContact O-N 3.42Å; I102-A115 HydrophobicContact CD1-CB 4.41Å; I102-A115 PolarHBondContact N-O 2.93Å; I102-F138 HydrophobicContact CD1-CB 4.25Å; I102-F138 HydrophobicContact CD1-CD1 3.48Å; I102-F138 VanDerWaalsContact CD1-CD1 3.48Å; I102-F138 HydrophobicContact CD1-CD2 4.03Å; I102-F138 HydrophobicContact CD1-CE1 3.77Å; I102-F138 HydrophobicContact CD1-CE2 4.3Å; I102-F138 HydrophobicContact CD1-CG 3.65Å; I102-F138 HydrophobicContact CD1-CZ 4.18Å; I102-F138 HydrophobicContact CG1-CD1 3.84Å; I102-F138 HydrophobicContact CG1-CE1 3.7Å; I102-F138 HydrophobicContact CG1-CG 4.48Å; I102-F138 HydrophobicContact CG1-CZ 4.24Å; I102-A148 HydrophobicContact CD1-CB 3.62Å |
| 103 | E | 95.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.1 | 178.5 | -62.3 | -177.3 | -170.9 | 0 | 0 | 111.2 | L40 V41 V43 R50 V101 R111 K112 A113 | L40-E103 WeakPolarHBondContact CA-O 3.38Å; V41-E103 HydrophobicContact CB-CB 4.46Å; V41-E103 PolarHBondContact N-O 2.86Å; V41-E103 PolarHBondContact O-N 2.88Å; V43-E103 HydrophobicContact CG2-CG 3.99Å; R50-E103 IonicContact CZ-OE1 2.8Å; R50-E103 IonicContact NE-OE1 2.63Å; R50-E103 IonicContact NH2-OE1 2.78Å; R50-E103 PolarHBondContact NH2-OE1 3.47Å; R50-E103 IonicContact NH2-OE2 3.13Å; R50-E103 PolarHBondContact NH2-OE2 3.5Å; V101-E103 HydrophobicContact CG1-CG 4.04Å; E103-R111 HydrophobicContact CB-CB 4.43Å; E103-R111 VanDerWaalsContact OE2-CB 3.31Å; E103-R111 WeakPolarHBondContact OE2-CB 3.37Å; E103-R111 WeakPolarHBondContact OE2-CD 3.37Å; E103-K112 CarbonylContact C-O 3.56Å; E103-K112 VanDerWaalsContact CA-O 3.28Å; E103-K112 WeakPolarHBondContact CA-O 3.43Å; E103-A113 HydrophobicContact CG-CB 4.42Å |
| 104 | N | 93.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.1 | 165.6 | -173.1 | 93.4 | 0 | 0 | 0 | 109.5 | W35 P37 D38 K39 S106 R111 K112 L114 | W35-N104 HydrophobicContact CH2-CB 4.16Å; W35-N104 HydrophobicContact CZ2-CB 4.21Å; W35-N104 WeakPolarHBondContact CZ2-OD1 3.22Å; P37-N104 WeakPolarHBondContact CA-OD1 3.49Å; P37-N104 WeakPolarHBondContact CB-OD1 3.25Å; D38-N104 PolarHBondContact N-OD1 3.32Å; D38-N104 PolarHBondContact OD2-ND2 3.06Å; K39-N104 WeakPolarHBondContact O-CA 3.21Å; N104-S106 PolarHBondContact ND2-N 3.08Å; N104-R111 CarbonylContact O-C 3.53Å; N104-R111 VanDerWaalsContact O-CA 3.28Å; N104-R111 WeakPolarHBondContact O-CA 3.48Å; N104-K112 PolarHBondContact N-O 2.79Å; N104-K112 PolarHBondContact O-N 3.2Å; N104-L114 HydrophobicContact CB-CD1 4.09Å; N104-L114 HydrophobicContact CB-CD2 4.04Å; N104-L114 HydrophobicContact CB-CG 4.17Å |
| 105 | E | 92.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.1 | 165.5 | -166.7 | 168.4 | 121 | 0 | 0 | 108.9 | K39 V41 A55 R111 | K39-E105 HydrophobicContact CB-CB 4.5Å; K39-E105 PolarHBondContact O-N 2.88Å; V41-E105 HydrophobicContact CG2-CB 4.36Å; A55-E105 HydrophobicContact CB-CB 4.37Å; E105-R111 HydrophobicContact CB-CG 4.13Å; E105-R111 HydrophobicContact CG-CG 4.03Å; E105-R111 IonicContact OE2-CZ 3.71Å; E105-R111 IonicContact OE2-NE 3.04Å; E105-R111 PolarHBondContact OE2-NE 2.9Å; E105-R111 IonicContact OE2-NH2 2.79Å; E105-R111 PolarHBondContact OE2-NH2 3.31Å |
| 106 | S | 84.5 | Confident | 91.1 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | trans | -73 | 161.8 | 176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | N104 S108 G109 R110 | N104-S106 PolarHBondContact ND2-N 3.08Å; S106-S108 PolarHBondContact O-N 3.41Å; S106-S108 PolarHBondContact OG-OG 2.85Å; S106-G109 PolarHBondContact O-N 3.42Å; S106-R110 PolarHBondContact N-O 3.3Å; S106-R110 PolarHBondContact OG-N 3.05Å; S106-R110 PolarHBondContact OG-O 3.38Å | ||
| 107 | P | 78.8 | Confident | 91.3 | Very high | 120 Ų | 120 | 50.2 Ų | 50.2 | 78% | 0.779 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.1 | 176.9 | -26.1 | 35.9 | 0 | 0 | 0 | 114.7 | G109 | P107-G109 VanDerWaalsContact C-N 3.33Š|
| 108 | S | 80.3 | Confident | 91.4 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 12.3 | 173.5 | 71 | 0 | 0 | 0 | 0 | 114.7 | S106 R110 | S106-S108 PolarHBondContact O-N 3.41Å; S106-S108 PolarHBondContact OG-OG 2.85Å; S108-R110 PolarHBondContact O-N 3.24Å |
| 109 | G | 78.6 | Confident | 91.4 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 69.1 | -7.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S106 P107 R111 | S106-G109 PolarHBondContact O-N 3.42Å; P107-G109 VanDerWaalsContact C-N 3.33Å; G109-R111 PolarHBondContact O-N 3.14Å |
| 110 | R | 85.8 | Confident | 91.3 | Very high | 184 Ų | 184 | 46.3 Ų | 46.3 | 69% | 0.694 | 26% | 0.258 | S | S | * | . | trans | -72.5 | 117.7 | 177.8 | -63.6 | -175.7 | -178.6 | -160.6 | 2.8 | 110.3 | S106 S108 | S106-R110 PolarHBondContact N-O 3.3Å; S106-R110 PolarHBondContact OG-N 3.05Å; S106-R110 PolarHBondContact OG-O 3.38Å; S108-R110 PolarHBondContact O-N 3.24Å | ||
| 111 | R | 91.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 145.8 | 170.6 | -63.8 | -175.5 | 179 | 179.6 | -3.6 | 112.1 | S52 E103 N104 E105 G109 | S52-R111 PolarHBondContact OG-NH1 3.32Å; E103-R111 HydrophobicContact CB-CB 4.43Å; E103-R111 VanDerWaalsContact OE2-CB 3.31Å; E103-R111 WeakPolarHBondContact OE2-CB 3.37Å; E103-R111 WeakPolarHBondContact OE2-CD 3.37Å; N104-R111 CarbonylContact O-C 3.53Å; N104-R111 VanDerWaalsContact O-CA 3.28Å; N104-R111 WeakPolarHBondContact O-CA 3.48Å; E105-R111 HydrophobicContact CB-CG 4.13Å; E105-R111 HydrophobicContact CG-CG 4.03Å; E105-R111 IonicContact OE2-CZ 3.71Å; E105-R111 IonicContact OE2-NE 3.04Å; E105-R111 PolarHBondContact OE2-NE 2.9Å; E105-R111 IonicContact OE2-NH2 2.79Å; E105-R111 PolarHBondContact OE2-NH2 3.31Å; G109-R111 PolarHBondContact O-N 3.14Å |
| 112 | K | 92.9 | Very high | 91.1 | Very high | 147 Ų | 147 | 47.8 Ų | 47.8 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 127.5 | 173.9 | -68.6 | -175.5 | 178.7 | 179.7 | 0 | 111 | E103 N104 | E103-K112 CarbonylContact C-O 3.56Å; E103-K112 VanDerWaalsContact CA-O 3.28Å; E103-K112 WeakPolarHBondContact CA-O 3.43Å; N104-K112 PolarHBondContact N-O 2.79Å; N104-K112 PolarHBondContact O-N 3.2Å |
| 113 | A | 93.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V101 E103 L141 | V101-A113 HydrophobicContact CG1-CB 3.67Å; E103-A113 HydrophobicContact CG-CB 4.42Å; A113-L141 HydrophobicContact CB-CD2 3.83Å |
| 114 | L | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -43.7 | -178.7 | -60.3 | -174.7 | 0 | 0 | 0 | 112.6 | W35 L40 I102 N104 L141 S142 V145 | W35-L114 HydrophobicContact CH2-CD1 3.8Å; W35-L114 HydrophobicContact CH2-CD2 3.65Å; W35-L114 HydrophobicContact CH2-CG 4.39Å; W35-L114 HydrophobicContact CZ2-CD2 4.5Å; W35-L114 HydrophobicContact CZ3-CD1 4.19Å; W35-L114 HydrophobicContact CZ3-CD2 4.16Å; L40-L114 HydrophobicContact CD2-CD1 3.57Å; I102-L114 HydrophobicContact CG2-CD1 4.25Å; I102-L114 PolarHBondContact O-N 3.42Å; N104-L114 HydrophobicContact CB-CD1 4.09Å; N104-L114 HydrophobicContact CB-CD2 4.04Å; N104-L114 HydrophobicContact CB-CG 4.17Å; L114-L141 WeakPolarHBondContact O-CA 3.36Å; L114-L141 PolarHBondContact O-N 3.34Å; L114-S142 PolarHBondContact O-N 2.66Å; L114-V145 HydrophobicContact CB-CG2 3.93Å; L114-V145 HydrophobicContact CD1-CG2 3.99Å; L114-V145 HydrophobicContact CG-CG2 4.39Å |
| 115 | A | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 158.9 | -175 | 0 | 0 | 0 | 0 | 0 | 110.2 | V101 I102 F138 K139 A148 | V101-A115 WeakPolarHBondContact CA-O 3.48Å; I102-A115 HydrophobicContact CD1-CB 4.41Å; I102-A115 PolarHBondContact N-O 2.93Å; A115-F138 HydrophobicContact CB-CB 3.81Å; A115-F138 HydrophobicContact CB-CD1 4.46Å; A115-K139 CarbonylContact C-O 3.52Å; A115-K139 VanDerWaalsContact CA-O 3.27Å; A115-K139 WeakPolarHBondContact CA-O 3.45Å; A115-K139 WeakPolarHBondContact CB-O 3.38Å; A115-A148 HydrophobicContact CB-CB 4.38Å |
| 116 | T | 96.5 | Very high | 90.6 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 150 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 113.4 | T99 F100 F138 K139 L141 | T99-T116 WeakPolarHBondContact CG2-OG1 3.41Å; F100-T116 CarbonylContact O-C 3.58Å; F100-T116 WeakPolarHBondContact O-CA 3.47Å; F100-T116 WeakPolarHBondContact O-CB 3.35Å; F100-T116 PolarHBondContact O-OG1 3.11Å; T116-F138 CarbonylContact O-C 3.59Å; T116-F138 WeakPolarHBondContact O-CA 3.48Å; T116-K139 PolarHBondContact N-O 2.9Å; T116-K139 PolarHBondContact O-N 3.47Å; T116-L141 HydrophobicContact CG2-CD1 4.5Å |
| 117 | S | 96.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157 | 174.5 | -157.2 | 0 | 0 | 0 | 0 | 109.9 | T99 F100 K137 | T99-S117 CarbonylContact C-O 3.5Å; T99-S117 WeakPolarHBondContact CA-O 3.33Å; F100-S117 PolarHBondContact N-O 3.48Å; F100-S117 PolarHBondContact O-N 3.38Å; S117-K137 WeakPolarHBondContact CB-O 3.32Å; S117-K137 PolarHBondContact OG-O 3.3Å |
| 118 | S | 93.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 152.7 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | E97 W98 | E97-S118 PolarHBondContact OE1-OG 3.31Å; E97-S118 VanDerWaalsContact OE1-OG 3.14Å; W98-S118 VanDerWaalsContact O-CA 3.3Å; W98-S118 WeakPolarHBondContact O-CA 3.48Å |
| 119 | I | 94.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.2 | 175.6 | -165.2 | 173.2 | 0 | 0 | 0 | 108.9 | E97 W98 F100 M121 Y124 V134 L136 F152 L154 | E97-I119 CarbonylContact C-O 3.52Å; E97-I119 VanDerWaalsContact CA-O 3.3Å; E97-I119 WeakPolarHBondContact CA-O 3.47Å; W98-I119 HydrophobicContact CB-CG2 4.33Å; W98-I119 PolarHBondContact N-O 2.91Å; W98-I119 PolarHBondContact O-N 3.2Å; F100-I119 HydrophobicContact CD2-CG2 3.99Å; F100-I119 HydrophobicContact CE2-CG2 3.65Å; I119-M121 HydrophobicContact CG2-CE 3.92Å; I119-Y124 HydrophobicContact CD1-CD2 4.02Å; I119-Y124 HydrophobicContact CD1-CE2 3.51Å; I119-Y124 HydrophobicContact CG1-CD2 4.03Å; I119-Y124 HydrophobicContact CG1-CE2 3.41Å; I119-Y124 VanDerWaalsContact CG1-CE2 3.41Å; I119-V134 HydrophobicContact CD1-CG1 3.86Å; I119-L136 HydrophobicContact CB-CD1 4.46Å; I119-L136 HydrophobicContact CB-CD2 4.35Å; I119-F152 HydrophobicContact CD1-CZ 4.2Å; I119-L154 HydrophobicContact CD1-CD2 4Å |
| 120 | N | 94.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.2 | 179.6 | -177.6 | 6.5 | 0 | 0 | 0 | 110.2 | D95 K96 K122 Q123 Y124 | D95-N120 VanDerWaalsContact CG-ND2 3.27Å; D95-N120 PolarHBondContact OD1-ND2 3.08Å; K96-N120 PolarHBondContact N-OD1 3.41Å; N120-K122 PolarHBondContact O-N 2.88Å; N120-K122 VanDerWaalsContact O-N 3.08Å; N120-K122 WeakPolarHBondContact OD1-CB 3.37Å; N120-K122 PolarHBondContact OD1-N 2.86Å; N120-Q123 HydrophobicContact CB-CG 4.3Å; N120-Q123 WeakPolarHBondContact O-CB 3.21Å; N120-Q123 PolarHBondContact O-N 2.98Å; N120-Y124 WeakPolarHBondContact O-CD2 3.23Å |
| 121 | M | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.5 | -16.5 | -175.2 | -65.3 | -66.3 | 179.4 | 0 | 0 | 114 | F20 W44 I80 V82 K96 W98 I119 Q123 Y124 A125 L154 | F20-M121 HydrophobicContact CD1-SD 3.98Å; F20-M121 HydrophobicContact CD2-SD 4.37Å; F20-M121 HydrophobicContact CE1-SD 4.09Å; F20-M121 HydrophobicContact CE2-CB 4.16Å; F20-M121 HydrophobicContact CE2-SD 4.46Å; F20-M121 HydrophobicContact CG-SD 4.11Å; F20-M121 HydrophobicContact CZ-CB 4.04Å; F20-M121 WeakPolarHBondContact CZ-O 3.31Å; F20-M121 HydrophobicContact CZ-SD 4.32Å; W44-M121 HydrophobicContact CE3-CE 4.16Å; W44-M121 HydrophobicContact CZ3-CE 4.21Å; I80-M121 HydrophobicContact CD1-CE 3.99Å; V82-M121 HydrophobicContact CG1-CB 4.1Å; V82-M121 HydrophobicContact CG1-CG 4.35Å; K96-M121 PolarHBondContact O-N 3.08Å; W98-M121 HydrophobicContact CB-CE 3.85Å; W98-M121 HydrophobicContact CD2-CE 4.43Å; W98-M121 HydrophobicContact CG-CE 3.81Å; W98-M121 HydrophobicContact CG-CG 4.12Å; I119-M121 HydrophobicContact CG2-CE 3.92Å; M121-Q123 VanDerWaalsContact C-N 3.28Å; M121-Q123 PolarHBondContact O-N 2.85Å; M121-Y124 PolarHBondContact O-N 3.4Å; M121-A125 PolarHBondContact O-N 3.46Å; M121-L154 HydrophobicContact SD-CD2 4.2Å |
| 122 | K | 92.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -54.2 | -44.2 | 168.6 | 171.6 | -177.4 | -177.2 | 164.2 | 0 | 111.9 | E92 F93 D95 N120 Y124 A125 | E92-K122 VanDerWaalsContact OE2-CE 3.25Å; E92-K122 WeakPolarHBondContact OE2-CE 3.37Å; E92-K122 IonicContact OE2-NZ 3.84Å; E92-K122 PolarHBondContact OE2-NZ 3.12Å; F93-K122 HydrophobicContact CB-CG 4.24Å; F93-K122 WeakPolarHBondContact O-CD 3.4Å; F93-K122 WeakPolarHBondContact O-CE 3.44Å; F93-K122 PolarHBondContact O-NZ 3.35Å; D95-K122 WeakPolarHBondContact OD1-CD 3.48Å; D95-K122 IonicContact OD1-NZ 2.79Å; N120-K122 PolarHBondContact O-N 2.88Å; N120-K122 VanDerWaalsContact O-N 3.08Å; N120-K122 WeakPolarHBondContact OD1-CB 3.37Å; N120-K122 PolarHBondContact OD1-N 2.86Å; K122-Y124 PolarHBondContact O-N 2.88Å; K122-Y124 VanDerWaalsContact O-N 3.13Å; K122-A125 PolarHBondContact O-N 3.19Å |
| 123 | Q | 92.5 | Very high | 92.8 | Very high | 135 Ų | 135 | 54.2 Ų | 54.2 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -71 | -9.1 | -172.3 | -64.3 | 173.8 | -36.4 | 0 | 0 | 113.7 | N120 M121 | N120-Q123 HydrophobicContact CB-CG 4.3Å; N120-Q123 WeakPolarHBondContact O-CB 3.21Å; N120-Q123 PolarHBondContact O-N 2.98Å; M121-Q123 VanDerWaalsContact C-N 3.28Å; M121-Q123 PolarHBondContact O-N 2.85Å |
| 124 | Y | 93.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -124.3 | 5.9 | -177.3 | -56.9 | -83.5 | 0 | 0 | 0 | 111.7 | F20 I119 N120 M121 K122 T132 V134 L154 C156 | F20-Y124 WeakPolarHBondContact CE1-O 3.33Å; I119-Y124 HydrophobicContact CD1-CD2 4.02Å; I119-Y124 HydrophobicContact CD1-CE2 3.51Å; I119-Y124 HydrophobicContact CG1-CD2 4.03Å; I119-Y124 HydrophobicContact CG1-CE2 3.41Å; I119-Y124 VanDerWaalsContact CG1-CE2 3.41Å; N120-Y124 WeakPolarHBondContact O-CD2 3.23Å; M121-Y124 PolarHBondContact O-N 3.4Å; K122-Y124 PolarHBondContact O-N 2.88Å; K122-Y124 VanDerWaalsContact O-N 3.13Å; Y124-T132 HydrophobicContact CD1-CG2 4.43Å; Y124-T132 WeakPolarHBondContact CD1-OG1 3.25Å; Y124-V134 HydrophobicContact CD1-CG2 4.32Å; Y124-V134 HydrophobicContact CE1-CG2 3.69Å; Y124-L154 HydrophobicContact CD1-CD2 4.13Å; Y124-L154 HydrophobicContact CD2-CD2 4.1Å; Y124-L154 HydrophobicContact CG-CD2 3.74Å; Y124-C156 WeakPolarHBondContact O-CB 3.46Å |
| 125 | A | 92.3 | Very high | 93 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -87.9 | 129.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F18 F20 L84 F93 M121 K122 | F18-A125 HydrophobicContact CD1-CB 4.45Å; F18-A125 HydrophobicContact CD2-CB 4.36Å; F18-A125 HydrophobicContact CE1-CB 4.21Å; F18-A125 HydrophobicContact CE2-CB 4.13Å; F18-A125 HydrophobicContact CZ-CB 4.05Å; F20-A125 HydrophobicContact CZ-CB 4.13Å; L84-A125 HydrophobicContact CD1-CB 3.32Å; F93-A125 HydrophobicContact CD2-CB 4.38Å; F93-A125 HydrophobicContact CE2-CB 4.43Å; M121-A125 PolarHBondContact O-N 3.46Å; K122-A125 PolarHBondContact O-N 3.19Å | ||
| 126 | S | 89.4 | Confident | 93 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | trans | -142.1 | 139.6 | 178.8 | 163.6 | 0 | 0 | 0 | 0 | 109.5 | F18 M128 T130 | F18-S126 WeakPolarHBondContact CE1-O 3.34Å; S126-M128 VanDerWaalsContact C-N 3.26Å; S126-M128 VanDerWaalsContact CB-O 3.29Å; S126-M128 WeakPolarHBondContact CB-O 3.33Å; S126-M128 PolarHBondContact O-N 3.02Å; S126-M128 PolarHBondContact OG-N 3.36Å; S126-M128 VanDerWaalsContact OG-N 3.16Å; S126-M128 PolarHBondContact OG-O 3.3Å; S126-T130 WeakPolarHBondContact CB-OG1 3.38Å | ||
| 127 | P | 84.3 | Confident | 93 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -66.4 | -28.8 | 173.2 | 26 | -30.3 | 0 | 0 | 0 | 112 | F158 | P127-F158 WeakPolarHBondContact O-CB 3.44Š|
| 128 | M | 89.4 | Confident | 93 | Very high | 130 Ų | 130 | 65 Ų | 65 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -84.6 | 143.7 | 167.6 | -61.3 | 82.5 | -172 | 0 | 0 | 110.7 | S126 T130 | S126-M128 VanDerWaalsContact C-N 3.26Å; S126-M128 VanDerWaalsContact CB-O 3.29Å; S126-M128 WeakPolarHBondContact CB-O 3.33Å; S126-M128 PolarHBondContact O-N 3.02Å; S126-M128 PolarHBondContact OG-N 3.36Å; S126-M128 VanDerWaalsContact OG-N 3.16Å; S126-M128 PolarHBondContact OG-O 3.3Å; M128-T130 PolarHBondContact O-N 3.08Å |
| 129 | P | 90 | Very high | 93 | Very high | 102 Ų | 102 | 70 Ų | 70 | 66% | 0.662 | 35% | 0.354 | S | S | * | . | trans | -54.2 | 129.2 | 170 | -25.5 | 35 | 0 | 0 | 0 | 111.5 | C156 | P129-C156 WeakPolarHBondContact CA-O 3.47Š| ||
| 130 | T | 92.4 | Very high | 93 | Very high | 53 Ų | 53 | 73.1 Ų | 73.1 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.9 | -175.6 | 42.5 | 0 | 0 | 0 | 0 | 111 | S126 M128 S155 C156 | S126-T130 WeakPolarHBondContact CB-OG1 3.38Å; M128-T130 PolarHBondContact O-N 3.08Å; T130-S155 CarbonylContact O-C 3.56Å; T130-S155 WeakPolarHBondContact O-CA 3.47Å; T130-S155 WeakPolarHBondContact O-CB 3.45Å; T130-C156 PolarHBondContact N-O 3.26Å; T130-C156 PolarHBondContact O-N 2.97Å |
| 131 | Q | 94.4 | Very high | 92.9 | Very high | 133 Ų | 133 | 77.7 Ų | 77.7 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.4 | 171.9 | -171 | 171.1 | 7.5 | 0 | 0 | 109.3 | S153 | Q131-S153 PolarHBondContact NE2-OG 3.07Å |
| 132 | T | 93.8 | Very high | 92.7 | Very high | 51 Ų | 51 | 79 Ų | 79 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.9 | -173.9 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | Y124 S153 L154 | Y124-T132 HydrophobicContact CD1-CG2 4.43Å; Y124-T132 WeakPolarHBondContact CD1-OG1 3.25Å; T132-S153 CarbonylContact O-C 3.58Å; T132-S153 VanDerWaalsContact O-CA 3.27Å; T132-S153 WeakPolarHBondContact O-CA 2.98Å; T132-L154 PolarHBondContact N-O 2.83Å; T132-L154 PolarHBondContact O-N 3.4Å; T132-L154 PolarHBondContact OG1-O 3Å |
| 133 | D | 94.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 86.5 Ų | 86.5 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.4 | 174.7 | -81.7 | -25.5 | 0 | 0 | 0 | 110.7 | S153 | D133-S153 VanDerWaalsContact OD1-CB 3.26Å; D133-S153 WeakPolarHBondContact OD1-CB 3.5Å |
| 134 | V | 95 | Very high | 92.5 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.9 | -172 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | I119 Y124 L136 Q151 F152 L154 | I119-V134 HydrophobicContact CD1-CG1 3.86Å; Y124-V134 HydrophobicContact CD1-CG2 4.32Å; Y124-V134 HydrophobicContact CE1-CG2 3.69Å; V134-L136 HydrophobicContact CG1-CD2 4.4Å; V134-L136 HydrophobicContact CG1-CG 4.05Å; V134-Q151 WeakPolarHBondContact O-CA 3.24Å; V134-F152 HydrophobicContact CB-CD1 4.18Å; V134-F152 HydrophobicContact CB-CE1 3.72Å; V134-F152 HydrophobicContact CB-CE2 4.38Å; V134-F152 HydrophobicContact CB-CZ 3.84Å; V134-F152 HydrophobicContact CG1-CE1 3.69Å; V134-F152 HydrophobicContact CG1-CZ 3.85Å; V134-F152 HydrophobicContact CG2-CZ 4.43Å; V134-F152 PolarHBondContact N-O 2.92Å; V134-F152 WeakPolarHBondContact O-CD1 2.94Å; V134-F152 PolarHBondContact O-N 3.29Å; V134-F152 VanDerWaalsContact O-N 3.1Å; V134-L154 HydrophobicContact CG2-CB 3.9Å |
| 135 | K | 95.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 81.8 Ų | 81.8 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 82.4 | 178.4 | -157.8 | -175.6 | -167.5 | 89.5 | 0 | 111.6 | K137 T149 L150 | K135-K137 PolarHBondContact O-N 3.25Å; K135-T149 HydrophobicContact CD-CG2 4.38Å; K135-T149 HydrophobicContact CG-CG2 3.82Å; K135-L150 CarbonylContact C-O 3.53Å; K135-L150 WeakPolarHBondContact CA-O 3.39Å |
| 136 | L | 95.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 84.6 Ų | 84.6 | 9% | 0.094 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.2 | 179.8 | -75.6 | 177.9 | 0 | 0 | 0 | 111.8 | F100 I119 V134 F138 T149 L150 F152 | F100-L136 HydrophobicContact CB-CD1 4.31Å; F100-L136 HydrophobicContact CD2-CD1 3.87Å; F100-L136 HydrophobicContact CE2-CD1 4.35Å; F100-L136 HydrophobicContact CG-CD1 3.99Å; I119-L136 HydrophobicContact CB-CD1 4.46Å; I119-L136 HydrophobicContact CB-CD2 4.35Å; V134-L136 HydrophobicContact CG1-CD2 4.4Å; V134-L136 HydrophobicContact CG1-CG 4.05Å; L136-F138 HydrophobicContact CB-CD2 4.32Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.42Å; L136-F138 WeakPolarHBondContact O-CD2 3.35Å; L136-F138 WeakPolarHBondContact O-CE2 3.34Å; L136-T149 CarbonylContact O-C 3.54Å; L136-T149 WeakPolarHBondContact O-CA 3.41Å; L136-L150 PolarHBondContact N-O 3.41Å; L136-L150 PolarHBondContact O-N 3.34Å; L136-F152 HydrophobicContact CB-CE1 4.43Å; L136-F152 HydrophobicContact CD1-CE1 3.66Å; L136-F152 HydrophobicContact CD1-CZ 3.97Å; L136-F152 HydrophobicContact CG-CE1 3.85Å; L136-F152 HydrophobicContact CG-CZ 4.44Å |
| 137 | K | 95.8 | Very high | 92.6 | Very high | 161 Ų | 161 | 85.8 Ų | 85.8 | 70% | 0.7 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.7 | 165.9 | -64.3 | 177.5 | -177.8 | 175 | 0 | 109.4 | S117 K135 T149 | S117-K137 WeakPolarHBondContact CB-O 3.32Å; S117-K137 PolarHBondContact OG-O 3.3Å; K135-K137 PolarHBondContact O-N 3.25Å; K137-T149 HydrophobicContact CG-CG2 4.42Å |
| 138 | F | 96.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 82 Ų | 82 | 5% | 0.053 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.8 | -174.9 | -72.4 | -118.1 | 0 | 0 | 0 | 111.3 | F100 I102 A115 T116 L136 A148 L150 | F100-F138 HydrophobicContact CB-CE1 3.71Å; F100-F138 HydrophobicContact CB-CZ 3.68Å; I102-F138 HydrophobicContact CD1-CB 4.25Å; I102-F138 HydrophobicContact CD1-CD1 3.48Å; I102-F138 VanDerWaalsContact CD1-CD1 3.48Å; I102-F138 HydrophobicContact CD1-CD2 4.03Å; I102-F138 HydrophobicContact CD1-CE1 3.77Å; I102-F138 HydrophobicContact CD1-CE2 4.3Å; I102-F138 HydrophobicContact CD1-CG 3.65Å; I102-F138 HydrophobicContact CD1-CZ 4.18Å; I102-F138 HydrophobicContact CG1-CD1 3.84Å; I102-F138 HydrophobicContact CG1-CE1 3.7Å; I102-F138 HydrophobicContact CG1-CG 4.48Å; I102-F138 HydrophobicContact CG1-CZ 4.24Å; A115-F138 HydrophobicContact CB-CB 3.81Å; A115-F138 HydrophobicContact CB-CD1 4.46Å; T116-F138 CarbonylContact O-C 3.59Å; T116-F138 WeakPolarHBondContact O-CA 3.48Å; L136-F138 HydrophobicContact CB-CD2 4.32Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.42Å; L136-F138 WeakPolarHBondContact O-CD2 3.35Å; L136-F138 WeakPolarHBondContact O-CE2 3.34Å; F138-A148 HydrophobicContact CB-CB 4.12Å; F138-A148 PolarHBondContact N-O 3.37Å; F138-L150 HydrophobicContact CD2-CB 4.46Å; F138-L150 HydrophobicContact CE2-CB 3.52Å; F138-L150 HydrophobicContact CE2-CD2 4.32Å; F138-L150 HydrophobicContact CZ-CB 4.08Å; F138-L150 HydrophobicContact CZ-CD2 4.08Å |
| 139 | K | 94.7 | Very high | 93.5 | Very high | 160 Ų | 160 | 77.5 Ų | 77.5 | 70% | 0.696 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123.3 | 169.9 | -62.3 | 174.4 | -178.9 | 173 | 0 | 108.1 | A115 T116 L141 | A115-K139 CarbonylContact C-O 3.52Å; A115-K139 VanDerWaalsContact CA-O 3.27Å; A115-K139 WeakPolarHBondContact CA-O 3.45Å; A115-K139 WeakPolarHBondContact CB-O 3.38Å; T116-K139 PolarHBondContact N-O 2.9Å; T116-K139 PolarHBondContact O-N 3.47Å; K139-L141 PolarHBondContact O-N 3.27Å |
| 140 | P | 93.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.5 | 179.3 | 26.7 | -33.6 | 0 | 0 | 0 | 110.6 | V145 | P140-V145 WeakPolarHBondContact CB-O 3.19Å |
| 141 | L | 91.2 | Very high | 93.9 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 60% | 0.602 | 37% | 0.365 | S | S | * | . | trans | -103.5 | -25.5 | 178.7 | -164 | 74.6 | 0 | 0 | 0 | 111.3 | A113 L114 T116 K139 | A113-L141 HydrophobicContact CB-CD2 3.83Å; L114-L141 WeakPolarHBondContact O-CA 3.36Å; L114-L141 PolarHBondContact O-N 3.34Å; T116-L141 HydrophobicContact CG2-CD1 4.5Å; K139-L141 PolarHBondContact O-N 3.27Å | ||
| 142 | S | 90.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 66.8 Ų | 66.8 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -109.5 | 134.5 | 178 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | L114 K144 V145 | L114-S142 PolarHBondContact O-N 2.66Å; S142-K144 PolarHBondContact O-N 3.27Å; S142-K144 PolarHBondContact OG-N 2.95Å; S142-V145 PolarHBondContact O-N 2.64Å; S142-V145 VanDerWaalsContact O-N 3.09Å |
| 143 | K | 90 | Very high | 93.9 | Very high | 206 Ų | 206 | 64.6 Ų | 64.6 | 90% | 0.896 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 1.2 | 173 | -61 | -173 | 178.6 | -174.5 | 0 | 114.6 | T32 | T32-K143 WeakPolarHBondContact CG2-O 3.5Š|
| 144 | K | 89.8 | Confident | 94 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -16.8 | 177.9 | -64.3 | -177.7 | 147.7 | -152.1 | 0 | 113.9 | C31 T32 W35 S142 | C31-K144 CarbonylContact C-O 3.52Å; C31-K144 WeakPolarHBondContact CA-O 3.28Å; T32-K144 PolarHBondContact N-O 3.46Å; W35-K144 HydrophobicContact CB-CD 4.46Å; W35-K144 HydrophobicContact CB-CG 4.49Å; W35-K144 HydrophobicContact CD2-CB 3.93Å; W35-K144 HydrophobicContact CD2-CD 3.63Å; W35-K144 HydrophobicContact CD2-CG 4.21Å; W35-K144 HydrophobicContact CE3-CB 3.49Å; W35-K144 VanDerWaalsContact CE3-CB 3.49Å; W35-K144 HydrophobicContact CE3-CD 4.04Å; W35-K144 HydrophobicContact CE3-CG 4.27Å; W35-K144 HydrophobicContact CG-CB 4.42Å; W35-K144 HydrophobicContact CG-CD 3.83Å; W35-K144 HydrophobicContact CG-CG 4.33Å; W35-K144 HydrophobicContact CZ2-CD 4.36Å; W35-K144 HydrophobicContact CZ3-CB 3.92Å; S142-K144 PolarHBondContact O-N 3.27Å; S142-K144 PolarHBondContact OG-N 2.95Å |
| 145 | V | 92.4 | Very high | 94 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.2 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 109.2 | V29 W35 L114 P140 S142 S147 A148 | V29-V145 HydrophobicContact CG1-CG1 4Å; V29-V145 HydrophobicContact CG1-CG2 3.92Å; W35-V145 HydrophobicContact CZ3-CG2 4.18Å; L114-V145 HydrophobicContact CB-CG2 3.93Å; L114-V145 HydrophobicContact CD1-CG2 3.99Å; L114-V145 HydrophobicContact CG-CG2 4.39Å; P140-V145 WeakPolarHBondContact CB-O 3.19Å; S142-V145 PolarHBondContact O-N 2.64Å; S142-V145 VanDerWaalsContact O-N 3.09Å; V145-S147 WeakPolarHBondContact CG1-O 3.16Å; V145-A148 HydrophobicContact CG1-CB 4.31Å |
| 146 | V | 92.4 | Very high | 94 | Very high | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -51.6 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | E30 T32 | E30-V146 HydrophobicContact CB-CB 4.49Å; E30-V146 HydrophobicContact CG-CB 4.11Å; E30-V146 PolarHBondContact O-N 3.08Å; T32-V146 HydrophobicContact CG2-CG2 3.91Å |
| 147 | S | 92.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.2 | 178.2 | 75.5 | 0 | 0 | 0 | 0 | 110.9 | E30 V145 | E30-S147 VanDerWaalsContact CB-OG 3.32Å; E30-S147 WeakPolarHBondContact CB-OG 3.08Å; E30-S147 PolarHBondContact N-O 3.36Å; E30-S147 PolarHBondContact O-N 2.95Å; E30-S147 PolarHBondContact OE2-OG 2.82Å; V145-S147 WeakPolarHBondContact CG1-O 3.16Å |
| 148 | A | 95.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 141.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M28 V29 I102 A115 F138 V145 | M28-A148 CarbonylContact O-C 3.49Å; M28-A148 VanDerWaalsContact O-CA 3.27Å; M28-A148 WeakPolarHBondContact O-CA 3.47Å; V29-A148 HydrophobicContact CG1-CB 4.33Å; V29-A148 HydrophobicContact CG2-CB 4.06Å; I102-A148 HydrophobicContact CD1-CB 3.62Å; A115-A148 HydrophobicContact CB-CB 4.38Å; F138-A148 HydrophobicContact CB-CB 4.12Å; F138-A148 PolarHBondContact N-O 3.37Å; V145-A148 HydrophobicContact CG1-CB 4.31Å |
| 149 | T | 96.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 129 | 179.9 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | M28 K135 L136 K137 | M28-T149 PolarHBondContact N-O 3.19Å; M28-T149 PolarHBondContact O-N 2.97Å; K135-T149 HydrophobicContact CD-CG2 4.38Å; K135-T149 HydrophobicContact CG-CG2 3.82Å; L136-T149 CarbonylContact O-C 3.54Å; L136-T149 WeakPolarHBondContact O-CA 3.41Å; K137-T149 HydrophobicContact CG-CG2 4.42Å |
| 150 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.4 | 175.3 | -176.2 | 68.6 | 0 | 0 | 0 | 109.4 | Y24 E26 L27 V42 W72 F100 K135 L136 F138 F152 | Y24-L150 HydrophobicContact CD1-CD1 3.95Å; Y24-L150 HydrophobicContact CD1-CD2 3.87Å; Y24-L150 HydrophobicContact CD1-CG 4.26Å; Y24-L150 HydrophobicContact CE1-CD2 3.82Å; E26-L150 CarbonylContact O-C 3.4Å; L27-L150 HydrophobicContact CB-CD1 3.77Å; L27-L150 HydrophobicContact CD1-CB 4.25Å; L27-L150 HydrophobicContact CD1-CD1 4.14Å; L27-L150 HydrophobicContact CG-CD1 4.43Å; V42-L150 HydrophobicContact CG1-CD2 3.87Å; V42-L150 HydrophobicContact CG2-CD1 4.06Å; W72-L150 HydrophobicContact CH2-CD1 4.48Å; W72-L150 HydrophobicContact CZ3-CD1 4.42Å; F100-L150 HydrophobicContact CD1-CD2 4.22Å; K135-L150 CarbonylContact C-O 3.53Å; K135-L150 WeakPolarHBondContact CA-O 3.39Å; L136-L150 PolarHBondContact N-O 3.41Å; L136-L150 PolarHBondContact O-N 3.34Å; F138-L150 HydrophobicContact CD2-CB 4.46Å; F138-L150 HydrophobicContact CE2-CB 3.52Å; F138-L150 HydrophobicContact CE2-CD2 4.32Å; F138-L150 HydrophobicContact CZ-CB 4.08Å; F138-L150 HydrophobicContact CZ-CD2 4.08Å; L150-F152 HydrophobicContact CD2-CD1 3.81Å; L150-F152 HydrophobicContact CD2-CE1 4.22Å; L150-F152 HydrophobicContact CD2-CG 4.42Å; L150-F152 HydrophobicContact CG-CD1 3.93Å |
| 151 | Q | 94.8 | Very high | 93 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.7 | 167.3 | -173.5 | 164.4 | -38 | 0 | 0 | 109 | Q25 E26 V134 | Q25-Q151 PolarHBondContact N-O 3.08Å; Q25-Q151 PolarHBondContact OE1-O 3.17Å; E26-Q151 HydrophobicContact CB-CB 4.43Å; E26-Q151 PolarHBondContact N-O 3.02Å; E26-Q151 VanDerWaalsContact N-O 3.13Å; E26-Q151 PolarHBondContact O-N 3.41Å; V134-Q151 WeakPolarHBondContact O-CA 3.24Å |
| 152 | F | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 148.7 | -177.4 | 72.1 | -74.7 | 0 | 0 | 0 | 109.3 | A22 S23 Y24 F100 I119 V134 L136 L150 L154 | A22-F152 HydrophobicContact CB-CD2 3.79Å; A22-F152 HydrophobicContact CB-CE2 3.95Å; S23-F152 CarbonylContact O-C 3.57Å; S23-F152 VanDerWaalsContact O-CA 3.24Å; S23-F152 WeakPolarHBondContact O-CA 3.36Å; S23-F152 VanDerWaalsContact O-CB 3.32Å; S23-F152 WeakPolarHBondContact O-CB 3.23Å; Y24-F152 HydrophobicContact CD1-CB 3.71Å; Y24-F152 HydrophobicContact CD1-CG 4.22Å; Y24-F152 HydrophobicContact CE1-CB 4.36Å; Y24-F152 HydrophobicContact CE1-CG 4.42Å; F100-F152 HydrophobicContact CE1-CE2 4.43Å; F100-F152 HydrophobicContact CE1-CZ 4.31Å; F100-F152 HydrophobicContact CE2-CZ 4.45Å; F100-F152 HydrophobicContact CZ-CE2 4.07Å; F100-F152 AromaticContact CZ-CZ 3.96Å; F100-F152 HydrophobicContact CZ-CZ 3.96Å; I119-F152 HydrophobicContact CD1-CZ 4.2Å; V134-F152 HydrophobicContact CB-CD1 4.18Å; V134-F152 HydrophobicContact CB-CE1 3.72Å; V134-F152 HydrophobicContact CB-CE2 4.38Å; V134-F152 HydrophobicContact CB-CZ 3.84Å; V134-F152 HydrophobicContact CG1-CE1 3.69Å; V134-F152 HydrophobicContact CG1-CZ 3.85Å; V134-F152 HydrophobicContact CG2-CZ 4.43Å; V134-F152 PolarHBondContact N-O 2.92Å; V134-F152 WeakPolarHBondContact O-CD1 2.94Å; V134-F152 PolarHBondContact O-N 3.29Å; V134-F152 VanDerWaalsContact O-N 3.1Å; L136-F152 HydrophobicContact CB-CE1 4.43Å; L136-F152 HydrophobicContact CD1-CE1 3.66Å; L136-F152 HydrophobicContact CD1-CZ 3.97Å; L136-F152 HydrophobicContact CG-CE1 3.85Å; L136-F152 HydrophobicContact CG-CZ 4.44Å; L150-F152 HydrophobicContact CD2-CD1 3.81Å; L150-F152 HydrophobicContact CD2-CE1 4.22Å; L150-F152 HydrophobicContact CD2-CG 4.42Å; L150-F152 HydrophobicContact CG-CD1 3.93Å; F152-L154 HydrophobicContact CD2-CB 4.41Å; F152-L154 HydrophobicContact CE2-CB 3.91Å; F152-L154 HydrophobicContact CE2-CD1 4.37Å |
| 153 | S | 94.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.4 | 167.6 | 70 | 0 | 0 | 0 | 0 | 109.3 | S23 Q131 T132 D133 | S23-S153 WeakPolarHBondContact CB-OG 3.37Å; S23-S153 PolarHBondContact N-O 3.12Å; S23-S153 PolarHBondContact O-N 3.47Å; Q131-S153 PolarHBondContact NE2-OG 3.07Å; T132-S153 CarbonylContact O-C 3.58Å; T132-S153 VanDerWaalsContact O-CA 3.27Å; T132-S153 WeakPolarHBondContact O-CA 2.98Å; D133-S153 VanDerWaalsContact OD1-CB 3.26Å; D133-S153 WeakPolarHBondContact OD1-CB 3.5Å |
| 154 | L | 95.7 | Very high | 92 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 114.7 | 170.9 | -177 | 59.5 | 0 | 0 | 0 | 108.4 | F20 V21 A22 W44 I119 M121 Y124 T132 V134 F152 | F20-L154 HydrophobicContact CB-CD1 4.11Å; F20-L154 HydrophobicContact CD1-CD1 3.92Å; F20-L154 HydrophobicContact CD1-CD2 4.23Å; F20-L154 HydrophobicContact CD1-CG 4.06Å; F20-L154 HydrophobicContact CG-CD1 4.49Å; V21-L154 WeakPolarHBondContact O-CA 3.44Å; A22-L154 HydrophobicContact CB-CD1 4.41Å; W44-L154 HydrophobicContact CZ3-CD1 4.43Å; I119-L154 HydrophobicContact CD1-CD2 4Å; M121-L154 HydrophobicContact SD-CD2 4.2Å; Y124-L154 HydrophobicContact CD1-CD2 4.13Å; Y124-L154 HydrophobicContact CD2-CD2 4.1Å; Y124-L154 HydrophobicContact CG-CD2 3.74Å; T132-L154 PolarHBondContact N-O 2.83Å; T132-L154 PolarHBondContact O-N 3.4Å; T132-L154 PolarHBondContact OG1-O 3Å; V134-L154 HydrophobicContact CG2-CB 3.9Å; F152-L154 HydrophobicContact CD2-CB 4.41Å; F152-L154 HydrophobicContact CE2-CB 3.91Å; F152-L154 HydrophobicContact CE2-CD1 4.37Å |
| 155 | S | 95.7 | Very high | 91.3 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 151.6 | 167.5 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | F20 V21 T130 | F20-S155 VanDerWaalsContact CA-O 3.29Å; F20-S155 WeakPolarHBondContact CA-O 3.47Å; V21-S155 WeakPolarHBondContact CB-OG 3.38Å; V21-S155 PolarHBondContact N-O 3.05Å; V21-S155 PolarHBondContact O-N 2.91Å; T130-S155 CarbonylContact O-C 3.56Å; T130-S155 WeakPolarHBondContact O-CA 3.47Å; T130-S155 WeakPolarHBondContact O-CB 3.45Å |
| 156 | C | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.5 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | F18 Q19 F20 Y124 P129 T130 | F18-C156 VanDerWaalsContact CD1-SG 3.53Å; Q19-C156 WeakPolarHBondContact O-CA 3.49Å; F20-C156 HydrophobicContact CD1-CB 3.92Å; F20-C156 HydrophobicContact CE1-CB 3.67Å; F20-C156 HydrophobicContact CZ-CB 4.29Å; Y124-C156 WeakPolarHBondContact O-CB 3.46Å; P129-C156 WeakPolarHBondContact CA-O 3.47Å; T130-C156 PolarHBondContact N-O 3.26Å; T130-C156 PolarHBondContact O-N 2.97Å |
| 157 | I | 94.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 35% | 0.349 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.6 | 172.2 | -58.2 | 175 | 0 | 0 | 0 | 107.8 | F18 Q19 L159 | F18-I157 CarbonylContact C-O 3.6Å; F18-I157 VanDerWaalsContact CA-O 3.31Å; F18-I157 WeakPolarHBondContact CA-O 3.47Å; Q19-I157 HydrophobicContact CB-CB 4.49Å; Q19-I157 PolarHBondContact N-O 2.82Å; Q19-I157 PolarHBondContact O-N 3.37Å; I157-L159 HydrophobicContact CG2-CD2 4.37Å |
| 158 | F | 93.1 | Very high | 88 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.5 | 171.6 | 173.7 | -103.3 | 0 | 0 | 0 | 110.5 | F18 P127 R160 E161 | F18-F158 HydrophobicContact CD1-CB 4.05Å; F18-F158 HydrophobicContact CD1-CD2 4.13Å; F18-F158 HydrophobicContact CE1-CB 3.97Å; F18-F158 AromaticContact CE1-CD2 3.61Å; F18-F158 HydrophobicContact CE1-CD2 3.61Å; F18-F158 HydrophobicContact CE1-CG 4.28Å; F18-F158 AromaticContact CZ-CD2 3.94Å; F18-F158 HydrophobicContact CZ-CD2 3.94Å; P127-F158 WeakPolarHBondContact O-CB 3.44Å; F158-R160 WeakPolarHBondContact CE2-O 3.2Å; F158-R160 VanDerWaalsContact CZ-C 3.41Å; F158-E161 HydrophobicContact CE2-CB 3.82Å; F158-E161 HydrophobicContact CZ-CB 3.62Å |
| 159 | L | 90.9 | Very high | 86.7 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -47.1 | -178.8 | -54.6 | 177.5 | 0 | 0 | 0 | 112.9 | K17 Q19 T81 I157 | K17-L159 HydrophobicContact CG-CD1 4.4Å; K17-L159 WeakPolarHBondContact O-CA 3.32Å; K17-L159 VanDerWaalsContact O-CB 3.24Å; K17-L159 WeakPolarHBondContact O-CB 3.45Å; K17-L159 PolarHBondContact O-N 3.19Å; Q19-L159 HydrophobicContact CB-CD1 4.15Å; Q19-L159 HydrophobicContact CB-CD2 4.18Å; Q19-L159 HydrophobicContact CB-CG 4.27Å; T81-L159 HydrophobicContact CG2-CD1 3.82Å; I157-L159 HydrophobicContact CG2-CD2 4.37Å |
| 160 | R | 88.3 | Confident | 85 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 158.8 | 177.3 | 66.1 | 173.1 | -163.2 | -148.2 | 1.5 | 111.9 | S16 K17 F158 E167 D168 | S16-R160 CarbonylContact C-O 3.56Å; S16-R160 WeakPolarHBondContact CA-O 3.36Å; K17-R160 HydrophobicContact CB-CG 3.79Å; K17-R160 HydrophobicContact CD-CG 4.16Å; K17-R160 PolarHBondContact N-O 3.12Å; K17-R160 PolarHBondContact O-N 3.19Å; F158-R160 WeakPolarHBondContact CE2-O 3.2Å; F158-R160 VanDerWaalsContact CZ-C 3.41Å; R160-E167 IonicContact CZ-OE2 2.76Å; R160-E167 IonicContact NH1-OE1 3.2Å; R160-E167 IonicContact NH1-OE2 3.96Å; R160-E167 PolarHBondContact NH1-OE2 3.4Å; R160-E167 IonicContact NH2-OE1 3.59Å; R160-E167 PolarHBondContact NH2-OE1 3.06Å; R160-E167 IonicContact NH2-OE2 3.2Å; R160-E167 PolarHBondContact NH2-OE2 2.87Å; R160-D168 IonicContact CZ-OD1 2.75Å; R160-D168 IonicContact NE-OD1 3.8Å; R160-D168 VanDerWaalsContact NH2-CG 3.31Å; R160-D168 IonicContact NH2-OD1 2.66Å; R160-D168 PolarHBondContact NH2-OD1 2.79Å; R160-D168 IonicContact NH2-OD2 2.92Å; R160-D168 PolarHBondContact NH2-OD2 3.06Å |
| 161 | E | 88.9 | Confident | 82.8 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.8 | 165.1 | -178.8 | 164 | 126 | 0 | 0 | 109.9 | A15 S16 K86 F158 | A15-E161 WeakPolarHBondContact O-CA 3.47Å; S16-E161 WeakPolarHBondContact CB-OE2 3.28Å; S16-E161 WeakPolarHBondContact OG-CG 3.38Å; S16-E161 PolarHBondContact OG-OE2 3.21Å; K86-E161 WeakPolarHBondContact CE-OE1 3.35Å; K86-E161 WeakPolarHBondContact CE-OE2 3.39Å; K86-E161 IonicContact NZ-OE1 3.43Å; K86-E161 PolarHBondContact NZ-OE1 2.87Å; K86-E161 IonicContact NZ-OE2 2.79Å; K86-E161 PolarHBondContact NZ-OE2 3.45Å; F158-E161 HydrophobicContact CE2-CB 3.82Å; F158-E161 HydrophobicContact CZ-CB 3.62Å |
| 162 | G | 85.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -173.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H14 A15 | H14-G162 CarbonylContact C-O 3.58Å; H14-G162 VanDerWaalsContact CA-O 3.32Å; H14-G162 WeakPolarHBondContact CA-O 3.31Å; A15-G162 PolarHBondContact N-O 3.45Å; A15-G162 PolarHBondContact O-N 2.95Å; A15-G162 VanDerWaalsContact O-N 3.1Å |
| 163 | K | 84.3 | Confident | 77.9 | Confident | 176 Ų | 176 | 56.2 Ų | 56.2 | 77% | 0.765 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 143.4 | 167.6 | -62.9 | 176.5 | -177.7 | 174.5 | 0 | 109 | T165 | K163-T165 WeakPolarHBondContact O-CG2 3.29Å; K163-T165 PolarHBondContact O-N 3.01Å |
| 164 | A | 79.9 | Confident | 75.4 | Confident | 19 Ų | 19 | 59 Ų | 59 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | trans | -62.5 | 97.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K13 A15 F85 M169 | K13-A164 WeakPolarHBondContact O-CB 3.29Å; K13-A164 PolarHBondContact O-N 3.12Å; A15-A164 HydrophobicContact CB-CB 4.06Å; F85-A164 HydrophobicContact CD1-CB 4.3Å; F85-A164 HydrophobicContact CE1-CB 4.05Å; A164-M169 HydrophobicContact CB-CG 4.43Å; A164-M169 WeakPolarHBondContact O-CE 3.43Å | ||
| 165 | T | 75.4 | Confident | 73 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | trans | -73.7 | 167.5 | 177 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | K163 E167 D168 M169 | K163-T165 WeakPolarHBondContact O-CG2 3.29Å; K163-T165 PolarHBondContact O-N 3.01Å; T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 3.35Å; T165-E167 PolarHBondContact OG1-N 3.35Å; T165-D168 PolarHBondContact O-N 2.85Å; T165-D168 PolarHBondContact OG1-N 3.02Å; T165-D168 PolarHBondContact OG1-OD2 2.78Å; T165-M169 WeakPolarHBondContact O-CG 3.49Å; T165-M169 PolarHBondContact O-N 2.84Å | ||
| 166 | D | 63.6 | Low | 70 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.9 | -23.2 | 171.7 | -160.6 | 51.4 | 0 | 0 | 0 | 113.3 | R7 D168 M169 Q170 | R7-D166 IonicContact CZ-OD1 2.68Å; R7-D166 IonicContact CZ-OD2 3.29Å; R7-D166 IonicContact NE-OD1 3.53Å; R7-D166 PolarHBondContact NE-OD1 3.02Å; R7-D166 IonicContact NH2-OD1 3.94Å; R7-D166 PolarHBondContact NH2-OD1 2.97Å; R7-D166 IonicContact NH2-OD2 2.7Å; R7-D166 PolarHBondContact NH2-OD2 2.99Å; D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 PolarHBondContact O-N 3.35Å; D166-M169 PolarHBondContact O-N 3.22Å; D166-Q170 WeakPolarHBondContact O-CB 3.39Å; D166-Q170 WeakPolarHBondContact O-CG 3.2Å; D166-Q170 PolarHBondContact O-N 3.04Å; D166-Q170 WeakPolarHBondContact OD2-CG 3.45Å; D166-Q170 PolarHBondContact OD2-NE2 3.37Å |
| 167 | E | 70.4 | Confident | 67.1 | Low | 108 Ų | 108 | 76.5 Ų | 76.5 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 170.9 | -162.8 | -132 | 124.5 | 0 | 0 | 111 | K17 R160 T165 | K17-E167 IonicContact NZ-OE1 3.73Å; K17-E167 PolarHBondContact NZ-OE1 3.36Å; K17-E167 IonicContact NZ-OE2 2.65Å; R160-E167 IonicContact CZ-OE2 2.76Å; R160-E167 IonicContact NH1-OE1 3.2Å; R160-E167 IonicContact NH1-OE2 3.96Å; R160-E167 PolarHBondContact NH1-OE2 3.4Å; R160-E167 IonicContact NH2-OE1 3.59Å; R160-E167 PolarHBondContact NH2-OE1 3.06Å; R160-E167 IonicContact NH2-OE2 3.2Å; R160-E167 PolarHBondContact NH2-OE2 2.87Å; T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 3.35Å; T165-E167 PolarHBondContact OG1-N 3.35Å |
| 168 | D | 74.8 | Confident | 64.3 | Low | 9 Ų | 9 | 79.9 Ų | 79.9 | 5% | 0.048 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -75.2 | -31.7 | 177.5 | -64 | -59.5 | 0 | 0 | 0 | 112.9 | A15 T83 F85 R160 T165 D166 | A15-D168 HydrophobicContact CB-CB 3.88Å; T83-D168 HydrophobicContact CG2-CB 4.05Å; F85-D168 HydrophobicContact CE1-CB 4.49Å; R160-D168 IonicContact CZ-OD1 2.75Å; R160-D168 IonicContact NE-OD1 3.8Å; R160-D168 VanDerWaalsContact NH2-CG 3.31Å; R160-D168 IonicContact NH2-OD1 2.66Å; R160-D168 PolarHBondContact NH2-OD1 2.79Å; R160-D168 IonicContact NH2-OD2 2.92Å; R160-D168 PolarHBondContact NH2-OD2 3.06Å; T165-D168 PolarHBondContact O-N 2.85Å; T165-D168 PolarHBondContact OG1-N 3.02Å; T165-D168 PolarHBondContact OG1-OD2 2.78Å; D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 PolarHBondContact O-N 3.35Å |
| 169 | M | 67.8 | Low | 61.5 | Low | 36 Ų | 36 | 86 Ų | 86 | 18% | 0.177 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -80.8 | -30.4 | 176.3 | -67.5 | -171.7 | -71.9 | 0 | 0 | 113 | R7 R10 A164 T165 D166 | R7-M169 HydrophobicContact CB-SD 4.34Å; R7-M169 HydrophobicContact CG-CB 4.32Å; R7-M169 HydrophobicContact CG-CE 3.73Å; R7-M169 HydrophobicContact CG-SD 3.46Å; R7-M169 WeakPolarHBondContact CG-SD 3.23Å; R10-M169 HydrophobicContact CB-SD 4.2Å; A164-M169 HydrophobicContact CB-CG 4.43Å; A164-M169 WeakPolarHBondContact O-CE 3.43Å; T165-M169 WeakPolarHBondContact O-CG 3.49Å; T165-M169 PolarHBondContact O-N 2.84Å; D166-M169 PolarHBondContact O-N 3.22Å |
| 170 | Q | 61.8 | Low | 59.1 | Low | 75 Ų | 75 | 91.9 Ų | 91.9 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -62.7 | 152.4 | 169 | -79.4 | -175.8 | 41.4 | 0 | 0 | 110.8 | D166 | D166-Q170 WeakPolarHBondContact O-CB 3.39Å; D166-Q170 WeakPolarHBondContact O-CG 3.2Å; D166-Q170 PolarHBondContact O-N 3.04Å; D166-Q170 WeakPolarHBondContact OD2-CG 3.45Å; D166-Q170 PolarHBondContact OD2-NE2 3.37Å |
| 171 | S | 47.6 | Very low | 56.9 | Low | 35 Ų | 35 | 91.7 Ų | 91.7 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | trans | -107.7 | 136.6 | 162.1 | -77 | 0 | 0 | 0 | 0 | 107.7 | R49 A173 S174 | R49-S171 PolarHBondContact NH2-OG 3.3Å; R49-S171 VanDerWaalsContact NH2-OG 3.15Å; S171-A173 PolarHBondContact O-N 3.43Å; S171-S174 WeakPolarHBondContact O-CB 3.29Å; S171-S174 PolarHBondContact O-N 2.79Å; S171-S174 PolarHBondContact O-OG 2.98Å | ||
| 172 | L | 48.3 | Very low | 54.7 | Low | 119 Ų | 119 | 95.3 Ų | 95.3 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -48.2 | -21.9 | 173.8 | -73.9 | 159.7 | 0 | 0 | 0 | 114.2 | S174 | L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.9Å |
| 173 | A | 39.4 | Very low | 52.4 | Low | 36 Ų | 36 | 101 Ų | 101 | 30% | 0.298 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -18.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | S48 S171 S177 | S48-A173 WeakPolarHBondContact OG-CB 3.28Å; S171-A173 PolarHBondContact O-N 3.43Å; A173-S177 WeakPolarHBondContact O-CB 2.86Å |
| 174 | S | 42.6 | Very low | 50.3 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.1 | -45.2 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | S171 L172 M176 S177 | S171-S174 WeakPolarHBondContact O-CB 3.29Å; S171-S174 PolarHBondContact O-N 2.79Å; S171-S174 PolarHBondContact O-OG 2.98Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.9Å; S174-M176 PolarHBondContact O-N 3.23Å; S174-S177 PolarHBondContact O-N 3.15Å |
| 175 | L | 44.3 | Very low | 48.3 | Very low | 126 Ų | 126 | 101.5 Ų | 101.5 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.3 | -41 | 177.8 | -129.9 | 77.4 | 0 | 0 | 0 | 111.6 | S177 | L175-S177 VanDerWaalsContact C-N 3.3Å; L175-S177 PolarHBondContact O-N 2.9Å |
| 176 | M | 33.1 | Very low | 47 | Very low | 174 Ų | 174 | 105.5 Ų | 105.5 | 86% | 0.857 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 4.2 | -179.6 | -65.5 | -72.1 | 169.9 | 0 | 0 | 114.3 | S174 | S174-M176 PolarHBondContact O-N 3.23Š|
| 177 | S | 35.3 | Very low | 46.2 | Very low | 99 Ų | 99 | 109.9 Ų | 109.9 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 11.6 | -172.7 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | A173 S174 L175 | A173-S177 WeakPolarHBondContact O-CB 2.86Å; S174-S177 PolarHBondContact O-N 3.15Å; L175-S177 VanDerWaalsContact C-N 3.3Å; L175-S177 PolarHBondContact O-N 2.9Å |
| 178 | M | 35.3 | Very low | 44.9 | Very low | 138 Ų | 138 | 111.1 Ų | 111.1 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | trans | -103.1 | 118.1 | 168.5 | -71.7 | -176.9 | 63.8 | 0 | 0 | 110.2 | I183 | M178-I183 HydrophobicContact CE-CD1 4.23Š| ||
| 179 | K | 34.5 | Very low | 43.1 | Very low | 199 Ų | 199 | 119.3 Ų | 119.3 | 87% | 0.865 | 65% | 0.647 | S | S | * | * | trans | -76.7 | 131.4 | 160.3 | -76.7 | -169.6 | 170.7 | -165.7 | 0 | 108.3 | A181 | K179-A181 VanDerWaalsContact C-N 3.3Å; K179-A181 PolarHBondContact O-N 2.97Å | ||
| 180 | Q | 40.7 | Very low | 41.8 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 95% | 0.953 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -70.6 | 83 | 172.3 | -69.4 | 170.9 | -29 | 0 | 0 | 110.6 | ||
| 181 | A | 40.4 | Very low | 40.7 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -169.2 | 59.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | K179 | K179-A181 VanDerWaalsContact C-N 3.3Å; K179-A181 PolarHBondContact O-N 2.97Å |
| 182 | D | 42.8 | Very low | 40.5 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | 159.7 | 110.2 | 153.1 | -89 | -20.5 | 0 | 0 | 0 | 110.4 | ||||
| 183 | I | 38.4 | Very low | 40.3 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -175.2 | 140.3 | 146.3 | -95.4 | 150.5 | 0 | 0 | 0 | 106 | M178 | M178-I183 HydrophobicContact CE-CD1 4.23Š| ||
| 184 | G | 41.2 | Very low | 40.5 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -78.6 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L186 | G184-L186 PolarHBondContact O-N 3.19Š| ||
| 185 | N | 37.8 | Very low | 40.4 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -59.1 | 132.7 | 173.1 | -150.2 | 67.8 | 0 | 0 | 0 | 110.1 | D187 | N185-D187 WeakPolarHBondContact ND2-CB 3.47Š| ||
| 186 | L | 46.7 | Very low | 40.2 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -134.8 | 31.6 | -179.3 | -139.9 | 156.5 | 0 | 0 | 0 | 110.2 | G184 | G184-L186 PolarHBondContact O-N 3.19Š| ||
| 187 | D | 46.3 | Very low | 40.7 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -103.9 | 40.8 | -169.2 | -157.1 | 44.2 | 0 | 0 | 0 | 109.9 | N185 | N185-D187 WeakPolarHBondContact ND2-CB 3.47Š| ||
| 188 | D | 45.2 | Very low | 41 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -147.2 | 14.5 | -160.2 | -154 | 33.7 | 0 | 0 | 0 | 112.2 | ||
| 189 | F | 36.2 | Very low | 41.2 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -152.4 | 23 | -171.2 | -93.1 | -70.3 | 0 | 0 | 0 | 115.7 | ||
| 190 | E | 39.8 | Very low | 41.6 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -132.1 | 54 | 173.2 | -65.6 | -77.4 | -178.3 | 0 | 0 | 110.1 | ||||
| 191 | E | 39.5 | Very low | 41.9 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -134.5 | 77.9 | 169.6 | -172.6 | 178 | -132 | 0 | 0 | 108.9 | ||||
| 192 | D | 43.9 | Very low | 42.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 171.8 | 83.7 | 164.3 | -101.5 | -19.4 | 0 | 0 | 0 | 107.9 | ||
| 193 | N | 42.7 | Very low | 42.1 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -179.9 | 32.7 | 165.2 | -97.5 | -46.9 | 0 | 0 | 0 | 116 | ||||
| 194 | E | 43.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -106.9 | -12.3 | 178.3 | -67.8 | -160.2 | 141.9 | 0 | 0 | 116 | D196 | E194-D196 PolarHBondContact O-N 3.44Š| ||
| 195 | D | 40.6 | Very low | 43.3 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -12.5 | -175 | -80.2 | -32.7 | 0 | 0 | 0 | 115.7 | ||
| 196 | D | 40 | Very low | 44.1 | Very low | 121 Ų | 121 | 143 Ų | 143 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -19.9 | -169.4 | -115.6 | -12.6 | 0 | 0 | 0 | 114.5 | E194 N199 | E194-D196 PolarHBondContact O-N 3.44Å; D196-N199 PolarHBondContact O-N 2.82Å |
| 197 | D | 42.7 | Very low | 44.3 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 54% | 0.535 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -79.3 | -22.2 | -168.9 | -111.1 | 25 | 0 | 0 | 0 | 114.2 | N199 R200 | D197-N199 VanDerWaalsContact C-N 3.29Å; D197-N199 PolarHBondContact O-N 2.83Å; D197-R200 WeakPolarHBondContact OD1-CD 3.33Å; D197-R200 IonicContact OD1-CZ 3.67Å; D197-R200 IonicContact OD1-NE 2.66Å; D197-R200 IonicContact OD1-NH1 2.66Å; D197-R200 PolarHBondContact OD1-NH1 2.77Å; D197-R200 IonicContact OD2-NH1 3.62Å; D197-R200 PolarHBondContact OD2-NH1 3.36Å |
| 198 | E | 42.6 | Very low | 45.2 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.2 | -22.5 | 174.2 | -155 | 176.8 | -129.9 | 0 | 0 | 112.2 | ||
| 199 | N | 38.9 | Very low | 46.2 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 55% | 0.551 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -84.9 | -22.6 | -179.4 | -154.1 | 4.2 | 0 | 0 | 0 | 112.9 | D196 D197 V201 N202 Q203 | D196-N199 PolarHBondContact O-N 2.82Å; D197-N199 VanDerWaalsContact C-N 3.29Å; D197-N199 PolarHBondContact O-N 2.83Å; N199-V201 PolarHBondContact O-N 2.71Å; N199-N202 PolarHBondContact O-N 3.24Å; N199-Q203 PolarHBondContact O-N 2.88Å |
| 200 | R | 43 | Very low | 47.8 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 51% | 0.509 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.2 | -41.1 | -178.7 | -100.8 | 174.6 | 54.6 | -137.9 | -13.5 | 113.7 | D197 N202 Q203 E204 | D197-R200 WeakPolarHBondContact OD1-CD 3.33Å; D197-R200 IonicContact OD1-CZ 3.67Å; D197-R200 IonicContact OD1-NE 2.66Å; D197-R200 IonicContact OD1-NH1 2.66Å; D197-R200 PolarHBondContact OD1-NH1 2.77Å; D197-R200 IonicContact OD2-NH1 3.62Å; D197-R200 PolarHBondContact OD2-NH1 3.36Å; R200-N202 VanDerWaalsContact C-N 3.31Å; R200-N202 PolarHBondContact O-N 3.27Å; R200-Q203 WeakPolarHBondContact O-CA 3.45Å; R200-Q203 WeakPolarHBondContact O-CB 3.36Å; R200-Q203 PolarHBondContact O-N 3.34Å; R200-E204 PolarHBondContact O-N 3.42Å |
| 201 | V | 46.9 | Very low | 49.1 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 64% | 0.642 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.9 | -40.6 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | N199 Q203 E204 E205 | N199-V201 PolarHBondContact O-N 2.71Å; V201-Q203 PolarHBondContact O-N 3.1Å; V201-E204 PolarHBondContact O-N 3.36Å; V201-E205 PolarHBondContact O-N 2.95Å |
| 202 | N | 44.2 | Very low | 50.5 | Low | 86 Ų | 86 | 120.2 Ų | 120.2 | 46% | 0.46 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.4 | -12.5 | 174.9 | -77.3 | -51.3 | 0 | 0 | 0 | 113.9 | N199 R200 K206 | N199-N202 PolarHBondContact O-N 3.24Å; R200-N202 VanDerWaalsContact C-N 3.31Å; R200-N202 PolarHBondContact O-N 3.27Å; N202-K206 WeakPolarHBondContact O-CD 3.31Å; N202-K206 VanDerWaalsContact O-CE 3.3Å; N202-K206 WeakPolarHBondContact O-CE 3.09Å; N202-K206 VanDerWaalsContact O-CG 3.32Å; N202-K206 WeakPolarHBondContact O-CG 3.3Å |
| 203 | Q | 43.9 | Very low | 51.8 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95 | -33.7 | 176.9 | -157 | 173.8 | 44 | 0 | 0 | 111.4 | N199 R200 V201 K206 A207 | N199-Q203 PolarHBondContact O-N 2.88Å; R200-Q203 WeakPolarHBondContact O-CA 3.45Å; R200-Q203 WeakPolarHBondContact O-CB 3.36Å; R200-Q203 PolarHBondContact O-N 3.34Å; V201-Q203 PolarHBondContact O-N 3.1Å; Q203-K206 PolarHBondContact O-N 2.8Å; Q203-A207 PolarHBondContact O-N 2.86Å |
| 204 | E | 51.5 | Low | 53.1 | Low | 140 Ų | 140 | 112.8 Ų | 112.8 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.1 | -41.8 | 175.8 | -165.3 | 156.7 | -157.8 | 0 | 0 | 111.9 | R200 V201 K206 A207 A208 | R200-E204 PolarHBondContact O-N 3.42Å; V201-E204 PolarHBondContact O-N 3.36Å; E204-K206 VanDerWaalsContact C-N 3.28Å; E204-K206 PolarHBondContact O-N 3.28Å; E204-A207 PolarHBondContact O-N 3.24Å; E204-A208 PolarHBondContact O-N 3.02Å |
| 205 | E | 53 | Low | 54 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.3 | -33.2 | 172.9 | -156.1 | -147.1 | 138.1 | 0 | 0 | 112.5 | V201 K209 | V201-E205 PolarHBondContact O-N 2.95Å; E205-K209 PolarHBondContact O-N 2.99Å; E205-K209 VanDerWaalsContact O-N 3.16Å; E205-K209 IonicContact OE1-NZ 3.8Å; E205-K209 PolarHBondContact OE1-NZ 3.29Å |
| 206 | K | 53.7 | Low | 55 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.2 | -37.6 | 174.8 | -70.7 | 171.8 | -169.1 | 155.8 | 0 | 111.7 | N202 Q203 E204 A208 K209 I210 | N202-K206 WeakPolarHBondContact O-CD 3.31Å; N202-K206 VanDerWaalsContact O-CE 3.3Å; N202-K206 WeakPolarHBondContact O-CE 3.09Å; N202-K206 VanDerWaalsContact O-CG 3.32Å; N202-K206 WeakPolarHBondContact O-CG 3.3Å; Q203-K206 PolarHBondContact O-N 2.8Å; E204-K206 VanDerWaalsContact C-N 3.28Å; E204-K206 PolarHBondContact O-N 3.28Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-K209 PolarHBondContact O-N 3.2Å; K206-I210 WeakPolarHBondContact O-CB 3.2Å; K206-I210 VanDerWaalsContact O-CG1 3.24Å; K206-I210 WeakPolarHBondContact O-CG1 3.29Å; K206-I210 PolarHBondContact O-N 3.1Å |
| 207 | A | 52.3 | Low | 55.9 | Low | 50 Ų | 50 | 104.8 Ų | 104.8 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q203 E204 I210 T211 | Q203-A207 PolarHBondContact O-N 2.86Å; E204-A207 PolarHBondContact O-N 3.24Å; A207-I210 PolarHBondContact O-N 2.87Å; A207-T211 WeakPolarHBondContact O-CB 3.4Å; A207-T211 PolarHBondContact O-N 2.73Å; A207-T211 PolarHBondContact O-OG1 2.9Å |
| 208 | A | 64 | Low | 56.5 | Low | 59 Ų | 59 | 104.7 Ų | 104.7 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -52.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | E204 K206 I210 T211 E212 | E204-A208 PolarHBondContact O-N 3.02Å; K206-A208 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.43Å; A208-T211 WeakPolarHBondContact O-CB 3.47Å; A208-T211 PolarHBondContact O-N 2.72Å; A208-T211 VanDerWaalsContact O-N 3.11Å; A208-E212 PolarHBondContact O-N 3.36Å |
| 209 | K | 66 | Low | 56.9 | Low | 107 Ų | 107 | 99.5 Ų | 99.5 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 176.9 | -85.3 | 166 | 176.4 | 157.3 | 0 | 113.8 | E205 K206 E212 I213 | E205-K209 PolarHBondContact O-N 2.99Å; E205-K209 VanDerWaalsContact O-N 3.16Å; E205-K209 IonicContact OE1-NZ 3.8Å; E205-K209 PolarHBondContact OE1-NZ 3.29Å; K206-K209 PolarHBondContact O-N 3.2Å; K209-E212 PolarHBondContact O-N 3.42Å; K209-I213 WeakPolarHBondContact O-CB 3.17Å; K209-I213 WeakPolarHBondContact O-CD1 3.33Å; K209-I213 VanDerWaalsContact O-CG1 3.24Å; K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 2.88Å |
| 210 | I | 69.9 | Low | 57.3 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 54% | 0.544 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 174 | -70.6 | 165.2 | 0 | 0 | 0 | 110.6 | K206 A207 A208 I213 V214 | K206-I210 WeakPolarHBondContact O-CB 3.2Å; K206-I210 VanDerWaalsContact O-CG1 3.24Å; K206-I210 WeakPolarHBondContact O-CG1 3.29Å; K206-I210 PolarHBondContact O-N 3.1Å; A207-I210 PolarHBondContact O-N 2.87Å; A208-I210 PolarHBondContact O-N 3.43Å; I210-I213 PolarHBondContact O-N 2.79Å; I210-V214 HydrophobicContact CG2-CG2 4.43Å; I210-V214 WeakPolarHBondContact O-CB 3.31Å; I210-V214 VanDerWaalsContact O-CG2 3.27Å; I210-V214 WeakPolarHBondContact O-CG2 3.15Å; I210-V214 PolarHBondContact O-N 2.82Å |
| 211 | T | 67.8 | Low | 57.3 | Low | 78 Ų | 78 | 99.8 Ų | 99.8 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 177.6 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | A207 A208 V214 N215 | A207-T211 WeakPolarHBondContact O-CB 3.4Å; A207-T211 PolarHBondContact O-N 2.73Å; A207-T211 PolarHBondContact O-OG1 2.9Å; A208-T211 WeakPolarHBondContact O-CB 3.47Å; A208-T211 PolarHBondContact O-N 2.72Å; A208-T211 VanDerWaalsContact O-N 3.11Å; T211-V214 PolarHBondContact O-N 3.04Å; T211-N215 WeakPolarHBondContact O-CB 3.47Å; T211-N215 PolarHBondContact O-N 3.45Å |
| 212 | E | 68.1 | Low | 57 | Low | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 173.7 | -167.2 | -175.8 | 175 | 0 | 0 | 111.6 | A208 K209 V214 N215 Q216 | A208-E212 PolarHBondContact O-N 3.36Å; K209-E212 PolarHBondContact O-N 3.42Å; E212-V214 PolarHBondContact O-N 3.27Å; E212-N215 PolarHBondContact O-N 3.14Å; E212-Q216 WeakPolarHBondContact O-CG 3.21Å; E212-Q216 PolarHBondContact O-N 3.1Å |
| 213 | I | 71.1 | Confident | 56.7 | Low | 92 Ų | 92 | 101.8 Ų | 101.8 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -39.8 | 175.8 | -69 | 164.7 | 0 | 0 | 0 | 111.4 | K209 I210 Q216 L217 | K209-I213 WeakPolarHBondContact O-CB 3.17Å; K209-I213 WeakPolarHBondContact O-CD1 3.33Å; K209-I213 VanDerWaalsContact O-CG1 3.24Å; K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 2.88Å; I210-I213 PolarHBondContact O-N 2.79Å; I213-Q216 PolarHBondContact O-N 3.12Å; I213-L217 HydrophobicContact CG2-CD1 3.99Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CG 3.43Å; I213-L217 PolarHBondContact O-N 3.05Å |
| 214 | V | 71.1 | Confident | 56.2 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -37.4 | 175.7 | 167 | 0 | 0 | 0 | 0 | 111.6 | I210 T211 E212 L217 N218 | I210-V214 HydrophobicContact CG2-CG2 4.43Å; I210-V214 WeakPolarHBondContact O-CB 3.31Å; I210-V214 VanDerWaalsContact O-CG2 3.27Å; I210-V214 WeakPolarHBondContact O-CG2 3.15Å; I210-V214 PolarHBondContact O-N 2.82Å; T211-V214 PolarHBondContact O-N 3.04Å; E212-V214 PolarHBondContact O-N 3.27Å; V214-L217 PolarHBondContact O-N 3.3Å; V214-N218 WeakPolarHBondContact O-CB 3.45Å; V214-N218 PolarHBondContact O-N 2.77Å; V214-N218 PolarHBondContact O-ND2 3.27Å |
| 215 | N | 62.3 | Low | 55.4 | Low | 98 Ų | 98 | 104.4 Ų | 104.4 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -37.6 | 173.8 | -78.1 | -18.4 | 0 | 0 | 0 | 112.4 | T211 E212 N218 A219 | T211-N215 WeakPolarHBondContact O-CB 3.47Å; T211-N215 PolarHBondContact O-N 3.45Å; E212-N215 PolarHBondContact O-N 3.14Å; N215-N218 PolarHBondContact O-N 2.82Å; N215-A219 WeakPolarHBondContact O-CB 3.33Å; N215-A219 PolarHBondContact O-N 3.11Å |
| 216 | Q | 61.2 | Low | 54.5 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -39.7 | 171.5 | -69.3 | 175.6 | 22.3 | 0 | 0 | 111.6 | E212 I213 A219 L220 | E212-Q216 WeakPolarHBondContact O-CG 3.21Å; E212-Q216 PolarHBondContact O-N 3.1Å; I213-Q216 PolarHBondContact O-N 3.12Å; Q216-A219 PolarHBondContact O-N 2.88Å; Q216-L220 WeakPolarHBondContact O-CG 3.49Å; Q216-L220 PolarHBondContact O-N 3.12Å; Q216-L220 VanDerWaalsContact O-N 3.14Å |
| 217 | L | 59.3 | Low | 53.5 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.6 | -37.9 | 175.4 | -72.9 | 168.6 | 0 | 0 | 0 | 113 | I213 V214 A219 L220 S221 | I213-L217 HydrophobicContact CG2-CD1 3.99Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CG 3.43Å; I213-L217 PolarHBondContact O-N 3.05Å; V214-L217 PolarHBondContact O-N 3.3Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-L220 CarbonylContact O-C 3.55Å; L217-L220 PolarHBondContact O-N 3.45Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 3.41Å |
| 218 | N | 54.9 | Low | 52.5 | Low | 98 Ų | 98 | 112 Ų | 112 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 173.1 | -77.8 | -28 | 0 | 0 | 0 | 111.9 | V214 N215 L220 S221 | V214-N218 WeakPolarHBondContact O-CB 3.45Å; V214-N218 PolarHBondContact O-N 2.77Å; V214-N218 PolarHBondContact O-ND2 3.27Å; N215-N218 PolarHBondContact O-N 2.82Å; N218-L220 PolarHBondContact O-N 3.2Å; N218-S221 PolarHBondContact O-N 2.66Å |
| 219 | A | 52.8 | Low | 51.1 | Low | 68 Ų | 68 | 115.7 Ų | 115.7 | 56% | 0.562 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -23.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N215 Q216 L217 | N215-A219 WeakPolarHBondContact O-CB 3.33Å; N215-A219 PolarHBondContact O-N 3.11Å; Q216-A219 PolarHBondContact O-N 2.88Å; L217-A219 VanDerWaalsContact C-N 3.34Å |
| 220 | L | 45.8 | Very low | 49.3 | Very low | 144 Ų | 144 | 115 Ų | 115 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 3.2 | 174 | -68.9 | 169.6 | 0 | 0 | 0 | 113.7 | Q216 L217 N218 | Q216-L220 WeakPolarHBondContact O-CG 3.49Å; Q216-L220 PolarHBondContact O-N 3.12Å; Q216-L220 VanDerWaalsContact O-N 3.14Å; L217-L220 CarbonylContact O-C 3.55Å; L217-L220 PolarHBondContact O-N 3.45Å; L217-L220 VanDerWaalsContact O-N 3.16Å; N218-L220 PolarHBondContact O-N 3.2Å |
| 221 | S | 43.9 | Very low | 47.4 | Very low | 101 Ų | 101 | 116 Ų | 116 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -115.5 | 16.9 | -176.1 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | L217 N218 | L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 3.41Å; N218-S221 PolarHBondContact O-N 2.66Å |
| 222 | S | 40.3 | Very low | 45.7 | Very low | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -129.9 | 8.7 | -171.9 | 60.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 223 | L | 37.1 | Very low | 43.7 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | trans | -128.2 | 122.2 | 167 | -83.7 | 90.1 | 0 | 0 | 0 | 110.3 | ||||
| 224 | D | 33.6 | Very low | 41.6 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | trans | 160.5 | 128.2 | 156.7 | -91.3 | -2.7 | 0 | 0 | 0 | 107 | ||||
| 225 | E | 34.5 | Very low | 39.3 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | cis | -134.8 | 147.1 | -11.8 | -59.8 | -174.3 | 100 | 0 | 0 | 107.2 | ||||
| 226 | D | 34.9 | Very low | 37.5 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | -178.5 | 155.9 | 97.1 | -131.6 | -3.6 | 0 | 0 | 0 | 109.1 | |||||
| 227 | Q | 33.1 | Very low | 36.6 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | cis | -128.2 | -100.7 | -11.6 | -161.9 | 157.7 | 107.1 | 0 | 0 | 110.4 | ||||
| 228 | D | 31.2 | Very low | 35 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | cis | -154.7 | 162.7 | -9.4 | -166.8 | 6.9 | 0 | 0 | 0 | 108.7 | ||||
| 229 | D | 33.7 | Very low | 33.6 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -82.5 | 152.3 | -177.3 | -104.4 | -33.4 | 0 | 0 | 0 | 112 | ||||
| 230 | C | 28.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 135 Ų | 135 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | cis | -168.2 | 156.1 | 17.8 | -139.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 231 | I | 31.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | 79.9 | 97.4 | 142.6 | -75.3 | 162 | 0 | 0 | 0 | 122.7 | ||||
| 232 | K | 31.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | 74.4 | 121.9 | 128.7 | -61.8 | 178.1 | -165.9 | 164 | 0 | 124.6 | |||||
| 233 | Q | 26.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 62.3 | 127.2 | 138 | -61.9 | 175.1 | -69.6 | 0 | 0 | 118.7 | ||||
| 234 | A | 25.5 | Very low | 29.8 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -164 | -167.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 235 | N | 24 | Very low | 30 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | cis | -161.3 | 173.8 | 10.7 | -162.1 | 17.4 | 0 | 0 | 0 | 112.1 | ||||
| 236 | M | 24.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -83.8 | 164 | 160.9 | -74.9 | -73.3 | -85.1 | 0 | 0 | 110.8 | ||||
| 237 | P | 41 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -119 | 169.9 | 32.6 | 16.6 | 9.4 | 0 | 0 | 0 | 114 | ||||
| 238 | S | 25.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | cis | 83.8 | 133.7 | 36.3 | -167 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 239 | A | 25.6 | Very low | 30 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 99.2 | 114 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 240 | K | 24.5 | Very low | 29.6 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | 74.4 | 159.6 | 134.8 | -64.8 | 173.4 | -179.7 | -179 | 0 | 121 | ||||
| 241 | S | 26.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 71.3 | 122.2 | 166 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 242 | A | 23.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | 88.6 | 131.1 | 52.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 243 | S | 36.8 | Very low | 29.4 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -69.7 | 133.9 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 244 | S | 31.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -160.3 | 146.3 | 161.3 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 245 | S | 37.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 153.8 | 172.8 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 246 | E | 30 | Very low | 30.3 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -169.2 | 129.3 | 135.5 | -101.6 | 162.5 | -178.3 | 0 | 0 | 105.5 | ||||
| 247 | E | 35.2 | Very low | 30.6 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | -166.1 | 173.1 | 73 | -76.6 | -148.5 | 140.8 | 0 | 0 | 110.7 | |||||
| 248 | L | 35.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | cis | -166.4 | 162.6 | -30 | -98.1 | -172.8 | 0 | 0 | 0 | 110.6 | ||||
| 249 | I | 31.8 | Very low | 30.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 65% | 0.651 | 75% | 0.752 | S | S | * | * | trans | 64.9 | 95.7 | 144.4 | -67.4 | 169.3 | 0 | 0 | 0 | 120.8 | ||||
| 250 | N | 26.9 | Very low | 30.3 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | 54 | 112 | 114.7 | -64.4 | -50.8 | 0 | 0 | 0 | 123.7 | |||||
| 251 | K | 27.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | 160.1 | 117.1 | 106.9 | -90.7 | 146.9 | -176.8 | 175.7 | 0 | 110.7 | |||||
| 252 | L | 30.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | 87.1 | 96.6 | 62 | -78.3 | 175.2 | 0 | 0 | 0 | 115.3 | |||||
| 253 | N | 28.6 | Very low | 30.4 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | 69.7 | 162.1 | 159.7 | -43 | -33.6 | 0 | 0 | 0 | 116.3 | ||||
| 254 | F | 29.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | cis | -158.7 | 135.8 | 18.1 | -141.2 | -68.7 | 0 | 0 | 0 | 111.6 | ||||
| 255 | L | 33.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | trans | 54.1 | 148.2 | 160.4 | -79.2 | 171.6 | 0 | 0 | 0 | 124.3 | ||||
| 256 | D | 31.6 | Very low | 29.1 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | 65.3 | 148.9 | 135.6 | -71 | -4.7 | 0 | 0 | 0 | 123.6 | ||||
| 257 | E | 31.4 | Very low | 29 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -161.8 | -179.3 | -17.1 | -142.8 | -170.2 | 176.9 | 0 | 0 | 110.9 | ||||
| 258 | A | 29.6 | Very low | 29.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 87.8 | 136.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 259 | E | 29.6 | Very low | 29.8 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -82.9 | 160.2 | 176.5 | -50 | 159.2 | 119.9 | 0 | 0 | 111.8 | ||||
| 260 | K | 26.2 | Very low | 29.5 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | -172.9 | 129.3 | 129.1 | -108 | 163.2 | -178.3 | 163.9 | 0 | 117.4 | |||||
| 261 | D | 25.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 50 | 139.9 | 125.2 | -71.8 | -18.9 | 0 | 0 | 0 | 123.5 | |||||
| 262 | L | 26.4 | Very low | 30 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | 70.1 | 128.8 | 160.7 | -58.5 | 156.6 | 0 | 0 | 0 | 115.7 | ||||
| 263 | A | 24.6 | Very low | 30 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | cis | 86.3 | 123.9 | 31.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 264 | T | 24.5 | Very low | 30.3 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 67.7 | 141 | 158.9 | 31.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 265 | V | 25.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 71.7 | 110.6 | 148.7 | 170.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 266 | N | 26.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | 61.1 | 128.6 | 99.5 | -140.7 | 33.8 | 0 | 0 | 0 | 112.2 | |||||
| 267 | S | 27.5 | Very low | 31.2 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | -172.7 | 156.2 | 53.3 | -42.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 268 | N | 43.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -69.5 | 142 | 138.8 | -76.3 | 1 | 0 | 0 | 0 | 106.7 | ||||
| 269 | P | 45.6 | Very low | 32.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | -163.7 | -179.4 | 81.7 | 44.6 | -24.5 | 0 | 0 | 0 | 118.7 | |||||
| 270 | F | 25.4 | Very low | 33 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | 71 | 128.1 | 148.1 | -68.4 | -49.7 | 0 | 0 | 0 | 122.8 | ||||
| 271 | D | 30.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | 65.3 | 149.1 | 125.4 | -54 | -9.6 | 0 | 0 | 0 | 120.9 | |||||
| 272 | D | 32.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -161 | -173.8 | -3.1 | -138.1 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 273 | S | 31.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 113.6 | 75.1 | 146.1 | -46.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 274 | D | 35 | Very low | 35 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | 57.5 | 158.4 | 104.4 | -147.2 | 12.9 | 0 | 0 | 0 | 125.7 | |||||
| 275 | V | 37 | Very low | 35 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | 86.1 | 137 | 157.7 | -141.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 276 | A | 37.2 | Very low | 35.1 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | trans | 91.3 | 106.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 277 | E | 38.8 | Very low | 35.2 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | 77.5 | 140.4 | 84 | -71.6 | -162.2 | 154.7 | 0 | 0 | 115.2 | |||||
| 278 | L | 37.5 | Very low | 35.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -160.8 | 158.5 | -7.6 | -109.9 | 169 | 0 | 0 | 0 | 110.4 | ||||
| 279 | N | 44.3 | Very low | 35.2 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -86 | 152.5 | 177.7 | -79.1 | -20 | 0 | 0 | 0 | 114 | ||||
| 280 | P | 47 | Very low | 34.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -149.8 | 134.3 | 136.6 | 36.9 | -19.3 | 0 | 0 | 0 | 117 | ||||
| 281 | F | 27.7 | Very low | 34.5 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | 59.3 | 156.5 | 167.3 | -53.6 | -74.1 | 0 | 0 | 0 | 118.6 | ||||
| 282 | G | 28.3 | Very low | 34.3 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | 130.1 | 122.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 283 | D | 28.2 | Very low | 34.1 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 74.4 | 162.1 | 155.8 | -97.6 | 30.2 | 0 | 0 | 0 | 119.4 | ||||
| 284 | P | 58.9 | Low | 33.9 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -142.5 | -156 | -117.8 | 39.6 | -15.6 | 0 | 0 | 0 | 115.8 | |||||
| 285 | D | 25 | Very low | 33.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 106.3 | 147.9 | 138.5 | -135.2 | -3.7 | 0 | 0 | 0 | 121.7 | ||||
| 286 | S | 29.1 | Very low | 34 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | 44.3 | 118 | 151.6 | 67.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 287 | E | 28.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | 65.1 | 124.2 | 125.4 | -59.7 | -172.7 | 169.1 | 0 | 0 | 123.4 | |||||
| 288 | E | 32 | Very low | 33.1 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | 28.6 | 149.6 | 126.4 | -92.3 | -167 | -139.1 | 0 | 0 | 122.2 | |||||
| 289 | P | 40 | Very low | 32.5 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | -162.9 | 176.8 | 63.9 | 45.8 | -23.8 | 0 | 0 | 0 | 120.8 | |||||
| 290 | I | 25.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 49.6 | 128.3 | 162.5 | 19.5 | 169.3 | 0 | 0 | 0 | 120.6 | ||||
| 291 | T | 30.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -163.6 | 139.8 | 78.1 | 15.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 292 | E | 27.4 | Very low | 31.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 21.9 | 115.2 | 156.1 | -59.6 | -165.9 | 112.2 | 0 | 0 | 122.3 | ||||
| 293 | T | 28.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | 85 | 117.6 | 86.2 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 294 | A | 27 | Very low | 31.1 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -138.9 | -156.3 | 9.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 295 | S | 30.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -157.7 | 157 | 10.8 | -155.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 296 | P | 42.6 | Very low | 29.4 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -116.5 | 135.8 | -147.7 | 39.5 | -30.7 | 0 | 0 | 0 | 117.4 | ||||
| 297 | R | 25.3 | Very low | 29.2 | Very low | 241 Ų | 241 | 148.6 Ų | 148.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | -179.2 | 117.1 | 100.8 | -93.2 | 176.6 | -175.8 | -166.4 | -0 | 111.3 | |||||
| 298 | R | 32.7 | Very low | 29.4 | Very low | 216 Ų | 216 | 149.5 Ų | 149.5 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -129.7 | -178.2 | 169.4 | -89.4 | -164.3 | -178.4 | -136.9 | 5 | 106.8 | ||||
| 299 | T | 24.7 | Very low | 29.2 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | cis | -161 | 165.1 | 42.9 | -36.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 300 | E | 31.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | -110.2 | 157.5 | 176.2 | -64.8 | 153.7 | 126.6 | 0 | 0 | 110.7 | ||||
| 301 | D | 39.2 | Very low | 29 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 45.4 | 130.5 | 152.1 | -58.1 | -11.3 | 0 | 0 | 0 | 124.1 | ||||
| 302 | S | 25.1 | Very low | 29 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -160 | 103.6 | 155.2 | 65.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 303 | F | 25.6 | Very low | 29.1 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 64.5 | 142.7 | 133.6 | -69.8 | -76.2 | 0 | 0 | 0 | 127.3 | ||||
| 304 | Y | 25.6 | Very low | 29.2 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 100.4 | 122.6 | 142.3 | -84 | -59.7 | 0 | 0 | 0 | 125 | ||||
| 305 | N | 23.9 | Very low | 29.2 | Very low | 129 Ų | 129 | 157.1 Ų | 157.1 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 87.5 | 121.5 | 138.5 | -81.8 | -19.8 | 0 | 0 | 0 | 125.1 | ||||
| 306 | N | 23.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 75.6 | 132.6 | 135.5 | -80.7 | -19 | 0 | 0 | 0 | 125.2 | ||||
| 307 | S | 25.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 79.6 | 136.6 | 137.2 | -70.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 308 | Y | 30.8 | Very low | 28 | Very low | 206 Ų | 206 | 153.9 Ų | 153.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -41 | 157.8 | 165.8 | -96.1 | -101.7 | 0 | 0 | 0 | 118.6 | ||||
| 309 | N | 28 | Very low | 27.7 | Very low | 138 Ų | 138 | 153 Ų | 153 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 105.5 | 149.7 | -72.5 | -13.8 | 0 | 0 | 0 | 120 | ||||
| 310 | P | 33 | Very low | 27.7 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -95.6 | 96.2 | 168.1 | 35.1 | -29.8 | 0 | 0 | 0 | 113 | ||||
| 311 | F | 29.3 | Very low | 27.5 | Very low | 207 Ų | 207 | 154 Ų | 154 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | -160.1 | 92.5 | 157.3 | -111 | -64.6 | 0 | 0 | 0 | 113.8 | ||||
| 312 | K | 28.8 | Very low | 27.9 | Very low | 188 Ų | 188 | 151 Ų | 151 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 173.4 | 131.3 | 151.1 | -95.7 | 159.1 | 179.6 | 179.8 | 0 | 107.3 | ||||
| 313 | E | 29.5 | Very low | 27.9 | Very low | 174 Ų | 174 | 155 Ų | 155 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | 83.2 | 156.2 | 52.1 | -167.8 | 176.5 | -135.2 | 0 | 0 | 112.6 | |||||
| 314 | V | 31.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | 106.4 | 117.6 | -170.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 315 | Q | 27.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | -141 | -142.1 | 0.6 | -139.8 | -168 | 97.2 | 0 | 0 | 112 | ||||
| 316 | T | 24.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 152 Ų | 152 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | -153 | -133.5 | 17.7 | -32.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | L | 25.2 | Very low | 29.4 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -129.9 | 168 | -167.9 | -67.1 | 171.8 | 0 | 0 | 0 | 109.9 | ||||
| 318 | Q | 23.7 | Very low | 29.5 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | cis | -175.7 | 161.4 | -21.6 | -178.8 | 179.5 | 0.8 | 0 | 0 | 109.4 | ||||
| 319 | Y | 24.9 | Very low | 29.2 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 91.1 | 145.4 | 156.1 | -92.1 | -60.9 | 0 | 0 | 0 | 124.1 | ||||
| 320 | L | 25.8 | Very low | 29 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 93.6 | 154.2 | 154.6 | -112.6 | 76.8 | 0 | 0 | 0 | 122.7 | ||||
| 321 | N | 28 | Very low | 28.7 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -152 | 173.3 | -171 | -132.5 | 21.4 | 0 | 0 | 0 | 104.3 | ||||
| 322 | P | 46.5 | Very low | 28.7 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | cis | -126.9 | -169.9 | -33.3 | 39.2 | -22.1 | 0 | 0 | 0 | 111.9 | ||||
| 323 | F | 24.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 57.3 | 115.2 | 167.9 | -82 | -91.5 | 0 | 0 | 0 | 118.7 | ||||
| 324 | D | 25.9 | Very low | 28.5 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -172.3 | 162.9 | 98.9 | -107.6 | -17.1 | 0 | 0 | 0 | 112.6 | |||||
| 325 | E | 36 | Very low | 28.2 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -96.4 | 166.5 | 174.6 | -135 | 172 | -132.5 | 0 | 0 | 110 | ||||
| 326 | P | 41.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | -151.1 | 171.9 | 75.4 | 39.6 | -20 | 0 | 0 | 0 | 116.7 | |||||
| 327 | E | 26.9 | Very low | 30.3 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 161.7 | 164.9 | -52 | -176.3 | 119.4 | 0 | 0 | 113.6 | ||||
| 328 | A | 26.7 | Very low | 30.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | -165.5 | 121.6 | 127.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 329 | F | 25.5 | Very low | 30.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | 19 | 143 | 142.3 | -64.4 | -87.8 | 0 | 0 | 0 | 120.4 | ||||
| 330 | V | 24.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | -142.7 | 153.8 | 57.6 | 171 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 331 | T | 26.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -89.7 | 161.7 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 332 | I | 28.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 145 Ų | 145 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -175.9 | 159.3 | 133.6 | -95.9 | 156.2 | 0 | 0 | 0 | 110.4 | ||||
| 333 | K | 28 | Very low | 31.3 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -100.3 | 163 | -168 | -62.9 | -177.4 | 177.7 | -178.5 | 0 | 115.3 | ||||
| 334 | D | 25.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 13.5 | 120.9 | 152 | -85.1 | -72.1 | 0 | 0 | 0 | 123.5 | ||||
| 335 | S | 26.4 | Very low | 31.8 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 69 | -173.7 | 121.8 | -47.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 336 | P | 50.5 | Low | 31.8 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -104 | 179.9 | -134.8 | 7.7 | 20 | 0 | 0 | 0 | 113.8 | ||||
| 337 | P | 45.5 | Very low | 31.7 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -152.4 | -168.3 | 37.1 | 43.5 | -19.8 | 0 | 0 | 0 | 119.2 | ||||
| 338 | Q | 26.1 | Very low | 31.9 | Very low | 184 Ų | 184 | 150.8 Ų | 150.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -2.9 | 152.2 | 164.6 | -48.6 | -177.5 | -1.4 | 0 | 0 | 121 | ||||
| 339 | S | 30.6 | Very low | 32.8 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | cis | 179.8 | 158.6 | 49.5 | 70.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 340 | T | 33.2 | Very low | 33 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 65.5 | 159 | 157.7 | 72.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 341 | K | 32.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | cis | -167.9 | 122.1 | -29.1 | -101.3 | 170.2 | -176.4 | 168.4 | 0 | 109.9 | ||||
| 342 | R | 33.9 | Very low | 33.9 | Very low | 245 Ų | 245 | 151.9 Ų | 151.9 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | 167.2 | 102.9 | 129.6 | -94.7 | 179.1 | 178.8 | -163.2 | 0.6 | 115.3 | |||||
| 343 | K | 38.3 | Very low | 34.2 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 37.8 | 121.7 | 141 | -59.3 | -175 | 177.6 | -174.6 | 0 | 121.3 | ||||
| 344 | N | 27.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | -156.8 | 154.3 | 111.9 | -112.1 | -20.6 | 0 | 0 | 0 | 113 | |||||
| 345 | I | 33.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | 70.9 | 163 | 169.3 | -60 | 165.8 | 0 | 0 | 0 | 116.4 | ||||
| 346 | R | 35.1 | Very low | 34.7 | Very low | 233 Ų | 233 | 156.1 Ų | 156.1 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -152.6 | 176 | -159.5 | -104.5 | -177 | 175.2 | -179.1 | -2.4 | 109.3 | ||||
| 347 | P | 39.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 157.9 Ų | 157.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -124.3 | 170.2 | -8.8 | 36.7 | -20.6 | 0 | 0 | 0 | 114 | ||||
| 348 | V | 31 | Very low | 32.5 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 156.3 | 174.3 | 167.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 349 | D | 46.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -16.7 | 145.2 | 168.6 | 179.8 | 49.4 | 0 | 0 | 0 | 118.7 | S351 | D349-S351 PolarHBondContact OD1-N 3.44Å; D349-S351 PolarHBondContact OD2-N 3.46Å; D349-S351 PolarHBondContact OD2-OG 3.35Å; D349-S351 VanDerWaalsContact OD2-OG 3.08Å | ||
| 350 | M | 29.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -134.6 | 81.2 | 160 | -79.6 | -84.1 | 68.2 | 0 | 0 | 112.9 | K352 | M350-K352 PolarHBondContact O-N 3.4Š| ||
| 351 | S | 41.3 | Very low | 32.3 | Very low | 79 Ų | 79 | 159.1 Ų | 159.1 | 55% | 0.552 | 80% | 0.795 | S | S | * | * | trans | -64.4 | 116.8 | 146.2 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | D349 | D349-S351 PolarHBondContact OD1-N 3.44Å; D349-S351 PolarHBondContact OD2-N 3.46Å; D349-S351 PolarHBondContact OD2-OG 3.35Å; D349-S351 VanDerWaalsContact OD2-OG 3.08Å | ||
| 352 | K | 29.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 157 Ų | 157 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 157.1 | 122.9 | 153 | -91.7 | 159.5 | -175.9 | 177.6 | 0 | 112.4 | M350 | M350-K352 PolarHBondContact O-N 3.4Š| ||
| 353 | Y | 34 | Very low | 31.8 | Very low | 218 Ų | 218 | 153.2 Ų | 153.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -159.4 | 113 | 116.9 | -78.4 | -57 | 0 | 0 | 0 | 105.5 | |||||
| 354 | L | 32.3 | Very low | 31.5 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 86.6 | 168.2 | 83.9 | -79.2 | -169.5 | 0 | 0 | 0 | 113.6 | |||||
| 355 | Y | 29.2 | Very low | 31.7 | Very low | 229 Ų | 229 | 151.5 Ų | 151.5 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 167.7 | -158.3 | -92 | -108.5 | 0 | 0 | 0 | 114.9 | ||||
| 356 | A | 29.3 | Very low | 31.6 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 156.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 357 | D | 22.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | -158.8 | -159.8 | 108.8 | -144.9 | -50.9 | 0 | 0 | 0 | 110 | |||||
| 358 | S | 27.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -117.8 | 145.6 | -159.1 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 359 | S | 27.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | -175.8 | 175.4 | 152.8 | 19.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | K | 29.7 | Very low | 30.1 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -113.5 | -166.8 | -178.9 | -68.4 | -177.1 | 170.1 | -173.2 | 0 | 111.1 | ||||
| 361 | T | 28.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | 82.6 | 131 | 154.9 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 362 | E | 27.8 | Very low | 30 | Very low | 144 Ų | 144 | 151 Ų | 151 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | cis | -160.6 | -177.8 | -19 | -116.7 | 130.6 | -116.6 | 0 | 0 | 106.8 | ||||
| 363 | E | 26.6 | Very low | 30 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 8 | 152.9 | 149.8 | -64.6 | 163.4 | 176.1 | 0 | 0 | 120.7 | ||||
| 364 | E | 33.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -166.6 | -178.4 | 13.7 | -141 | 175.9 | 175.7 | 0 | 0 | 112.3 | ||||
| 365 | E | 32.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 61.8 | 158.7 | 158.2 | -65 | -162.7 | 143.2 | 0 | 0 | 120.5 | ||||
| 366 | L | 31.2 | Very low | 29.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | cis | -159.9 | 135.8 | -24.6 | -97.1 | 171.6 | 0 | 0 | 0 | 105.7 | ||||
| 367 | D | 29.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 88 | 171.2 | 79.6 | -159.5 | 22.7 | 0 | 0 | 0 | 115.2 | |||||
| 368 | E | 28.3 | Very low | 29.7 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | 74.4 | 133.6 | -164.5 | -58.8 | -167.5 | 174.7 | 0 | 0 | 115.3 | ||||
| 369 | S | 29.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -137.7 | 148.4 | 12 | 60 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 370 | N | 31.2 | Very low | 30.4 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -136.4 | 130.3 | 179.1 | 176.5 | 21.6 | 0 | 0 | 0 | 110.6 | ||||
| 371 | P | 41.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -127.4 | 133.1 | 156.7 | 34.4 | -21 | 0 | 0 | 0 | 112.2 | ||||
| 372 | F | 27.8 | Very low | 30.7 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | cis | -163.2 | 120.6 | -0 | -175.9 | -100 | 0 | 0 | 0 | 110.3 | ||||
| 373 | Y | 29.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | trans | 37.5 | 108.8 | 154.1 | -85.5 | -103.4 | 0 | 0 | 0 | 119.6 | ||||
| 374 | E | 29.3 | Very low | 30.5 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 93.4 | 166.2 | 81.8 | -103 | -154.9 | 168.7 | 0 | 0 | 113.8 | |||||
| 375 | P | 38.7 | Very low | 30.1 | Very low | 87 Ų | 87 | 136 Ų | 136 | 57% | 0.565 | 75% | 0.749 | S | S | * | * | cis | -140 | 178.7 | -12.3 | 28.7 | -5.1 | 0 | 0 | 0 | 117 | ||||
| 376 | K | 23.5 | Very low | 29.7 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 95.6 | 121.8 | 148.6 | -50.6 | -158.1 | 179.2 | -177.8 | 0 | 123.2 | ||||
| 377 | S | 25 | Very low | 30.4 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 65.5 | 137.3 | 126.7 | 70 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 378 | T | 23.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -75.1 | 173.7 | 152.1 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | P | 41.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -125.7 | -139.6 | -9.1 | 40.7 | -21.6 | 0 | 0 | 0 | 111.7 | ||||
| 380 | S | 29.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | -83.9 | -173.5 | 178 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 381 | P | 45.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -129.7 | 162.6 | -27.8 | 33.4 | -16.4 | 0 | 0 | 0 | 114.7 | ||||
| 382 | S | 20.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -148.6 | 133 | 172 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 383 | N | 22.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | 57.4 | 135.9 | 66.4 | -69.4 | -40.7 | 0 | 0 | 0 | 112.4 | |||||
| 384 | L | 25.6 | Very low | 29.7 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | cis | 170.9 | 136.3 | -10.3 | -145 | 173.1 | 0 | 0 | 0 | 103.3 | ||||
| 385 | V | 25.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 152.1 | 121.8 | 140.1 | 163.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 386 | N | 24.3 | Very low | 29.1 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -88.5 | -177.3 | 170.4 | -86.6 | 4.2 | 0 | 0 | 0 | 109.8 | ||||
| 387 | P | 46 | Very low | 29.5 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | cis | -125 | -173.8 | 14 | 30.3 | -5.1 | 0 | 0 | 0 | 112.6 | Q389 | P387-Q389 VanDerWaalsContact CB-OE1 3.26Š| ||
| 388 | I | 27.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | S | Bend | cis | -151.8 | 137.9 | 36.8 | -67.9 | 170.1 | 0 | 0 | 0 | 107.2 | ||
| 389 | Q | 29.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | cis | -160.1 | -155.1 | -17.9 | -135 | 131.6 | -112.7 | 0 | 0 | 105.6 | P387 | P387-Q389 VanDerWaalsContact CB-OE1 3.26Š| ||
| 390 | E | 30.6 | Very low | 29.4 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | -149.8 | -154 | 3.7 | -141.3 | 133.1 | -109.2 | 0 | 0 | 106 | ||||
| 391 | L | 31.8 | Very low | 29.7 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | cis | -140.3 | -97.4 | -0.9 | -176.9 | 55.7 | 0 | 0 | 0 | 110.2 | ||||
| 392 | E | 28.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -146.8 | 157.6 | -162.7 | -71.7 | -177.5 | 162.1 | 0 | 0 | 111.8 | ||||
| 393 | T | 27.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | cis | -155.1 | 133.8 | -12.7 | 20.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 394 | E | 28.2 | Very low | 31.3 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | 64.9 | 140 | 91 | -59.6 | -135.8 | 125.9 | 0 | 0 | 116.6 | |||||
| 395 | R | 29.9 | Very low | 32 | Very low | 183 Ų | 183 | 143 Ų | 143 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | cis | -167 | 138.9 | 3.4 | -121.1 | 177.5 | -167.5 | 163.4 | 28.3 | 113.9 | ||||
| 396 | R | 26 | Very low | 32.1 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 57.2 | 155.8 | 133.8 | -75.9 | -169 | 165.8 | -163.5 | 0.2 | 121.9 | ||||
| 397 | V | 32 | Very low | 32.3 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 62% | 0.624 | 74% | 0.739 | S | S | * | * | cis | -162.8 | 138.3 | -3.9 | 111.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 398 | K | 30.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 44 | 140.9 | 146 | -62.8 | 171.2 | -176.5 | -178.2 | 0 | 126.3 | ||||
| 399 | R | 30.4 | Very low | 32.1 | Very low | 226 Ų | 226 | 140.5 Ų | 140.5 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | 106.8 | 110.7 | 125.9 | -97.2 | 170.4 | -179.4 | 171.1 | -2.8 | 122.5 | |||||
| 400 | K | 26 | Very low | 32.1 | Very low | 219 Ų | 219 | 143.2 Ų | 143.2 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | trans | 60.9 | 150.1 | 142.1 | -124.7 | 174.8 | -178.4 | -177.7 | 0 | 120.6 | ||||
| 401 | A | 36 | Very low | 31.9 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -108.3 | -178.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 402 | P | 42.5 | Very low | 31.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | cis | -140.4 | 177.8 | 4.3 | 43.3 | -24.9 | 0 | 0 | 0 | 118.3 | ||||
| 403 | A | 25.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 81.6 | 160.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 404 | P | 53.6 | Low | 31.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -105.2 | -155.6 | -158.9 | 42.2 | -31 | 0 | 0 | 0 | 113.5 | ||||
| 405 | P | 41.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -154 | 173.9 | 11.4 | 45.7 | -23.4 | 0 | 0 | 0 | 122.8 | ||||
| 406 | V | 26.2 | Very low | 31.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 77 | 147.9 | 136.8 | 159.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 407 | L | 28.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 130 Ų | 130 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 87 | 95 | 158 | -87.8 | 170 | 0 | 0 | 0 | 125.4 | ||||
| 408 | S | 25 | Very low | 30.8 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | 64 | -179.3 | 119.6 | 87.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 409 | P | 45.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | -140.9 | -174.2 | -19 | 44 | -26.9 | 0 | 0 | 0 | 117.2 | ||||
| 410 | K | 29 | Very low | 30.3 | Very low | 189 Ų | 189 | 123.4 Ų | 123.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 73.6 | 152.3 | 155.1 | -70 | -177 | -178.1 | 179.7 | 0 | 120.1 | ||||
| 411 | T | 26.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 118 Ų | 118 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | cis | -168.2 | 167.6 | -17.9 | 22.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 412 | G | 24.7 | Very low | 29.9 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | 141.4 | 106.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 413 | G | 25.1 | Very low | 29.3 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 161 | 164.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 414 | V | 25.7 | Very low | 29.4 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | -161.7 | 142.3 | -4.7 | 135.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 415 | N | 26.4 | Very low | 28.4 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 31.9 | 157.7 | 145.3 | -54.5 | 34.6 | 0 | 0 | 0 | 122.6 | ||||
| 416 | E | 26.7 | Very low | 27.6 | Very low | 142 Ų | 142 | 124 Ų | 124 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -167.7 | 148.4 | -7.7 | -112.3 | 176.7 | 109.8 | 0 | 0 | 113.6 | ||||
| 417 | N | 27 | Very low | 27.6 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | 52.6 | 152.3 | 136.1 | -65.4 | -19.8 | 0 | 0 | 0 | 127.8 | ||||
| 418 | T | 24.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | 73.2 | 149 | 147.1 | 42 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 419 | V | 25.8 | Very low | 28.2 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -169.3 | 156.4 | -29.4 | 105.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 420 | S | 25.1 | Very low | 27.3 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 55.2 | 120 | 156.1 | 71.9 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 421 | A | 27 | Very low | 27.2 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | 68 | 137 | 116.5 | 0 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 422 | G | 25.9 | Very low | 27.2 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | 148.4 | 105.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 423 | K | 30.2 | Very low | 27.7 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 65.6 | 165.6 | 150.6 | -56.1 | -168.2 | 170.2 | 180 | 0 | 120.2 | ||||
| 424 | D | 28.3 | Very low | 28 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | cis | -166.2 | 149 | -41.6 | -79.3 | -32.5 | 0 | 0 | 0 | 104.6 | ||||
| 425 | L | 30.9 | Very low | 28.2 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | 179.3 | 153.4 | 67.8 | -86.6 | 175.6 | 0 | 0 | 0 | 110.9 | |||||
| 426 | S | 26.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 61.1 | 144.3 | 152.4 | -138.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 427 | T | 24.9 | Very low | 28.6 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | cis | -143.9 | 161.5 | 9.4 | -40.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 428 | S | 27 | Very low | 28.7 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 160.5 | 178.5 | -160.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 429 | P | 38.8 | Very low | 29.2 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -138.8 | 171.4 | 88.9 | 36.3 | -20.9 | 0 | 0 | 0 | 115.9 | |||||
| 430 | K | 27.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 74% | 0.735 | 77% | 0.772 | S | S | * | * | trans | -77 | 162.3 | -173.8 | -67.4 | -179.7 | 178.9 | 176.8 | 0 | 115.1 | ||||
| 431 | P | 27.1 | Very low | 30.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | -103.3 | 157 | 118 | 32.1 | -34.4 | 0 | 0 | 0 | 112.2 | |||||
| 432 | S | 27.2 | Very low | 31.3 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -116.9 | -173.2 | -179.9 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 433 | P | 35.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | -95.4 | 170.5 | -98.6 | 38.8 | -31 | 0 | 0 | 0 | 114.4 | |||
| 434 | I | 29.9 | Very low | 34.3 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129 | 170.6 | -60.5 | 161.4 | 0 | 0 | 0 | 110.4 | ||
| 435 | P | 31.3 | Very low | 36.4 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 121.3 | 161.5 | 31.1 | -30 | 0 | 0 | 0 | 110 | ||
| 436 | S | 26.2 | Very low | 38.6 | Very low | 95 Ų | 95 | 109.7 Ų | 109.7 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 155.4 | 172.7 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | V438 | S436-V438 PolarHBondContact O-N 2.95Š|
| 437 | P | 35 | Very low | 41.2 | Very low | 123 Ų | 123 | 109.7 Ų | 109.7 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 121.4 | -178.9 | 25.1 | -34.9 | 0 | 0 | 0 | 111.7 | L439 | P437-L439 PolarHBondContact O-N 3.11Š|
| 438 | V | 28.8 | Very low | 44 | Very low | 136 Ų | 136 | 105.1 Ų | 105.1 | 82% | 0.824 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -75 | 123.1 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | S436 | S436-V438 PolarHBondContact O-N 2.95Š|
| 439 | L | 35.5 | Very low | 46.8 | Very low | 162 Ų | 162 | 100.7 Ų | 100.7 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -62.4 | 142.4 | 171.4 | -83.7 | 68.5 | 0 | 0 | 0 | 110.9 | P437 | P437-L439 PolarHBondContact O-N 3.11Š|
| 440 | G | 33.9 | Very low | 49.2 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 84% | 0.835 | 55% | 0.552 | S | S | * | * | trans | 95.5 | 0.9 | 146 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 441 | R | 40.4 | Very low | 52.1 | Low | 183 Ų | 183 | 91.8 Ų | 91.8 | 69% | 0.691 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 120.2 | 166.5 | -171.5 | -177.3 | -91.4 | -110.1 | 3.2 | 109.4 | ||
| 442 | K | 46.5 | Very low | 55 | Low | 167 Ų | 167 | 87.8 Ų | 87.8 | 73% | 0.726 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 135.3 | 165.7 | -70.5 | -179.7 | 179.4 | 175.6 | 0 | 108.6 | N444 | K442-N444 PolarHBondContact O-N 3.3Š|
| 443 | P | 54.2 | Low | 58 | Low | 86 Ų | 86 | 83.5 Ų | 83.5 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 136.6 | 169.3 | 27.2 | -33.4 | 0 | 0 | 0 | 108.8 | ||
| 444 | N | 65.8 | Low | 60.6 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.048 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 164.6 | 175.6 | 77.7 | -29.2 | 0 | 0 | 0 | 110.4 | K442 S446 Q447 S448 T1109 E1112 | K442-N444 PolarHBondContact O-N 3.3Å; N444-S446 PolarHBondContact ND2-OG 3.07Å; N444-S446 PolarHBondContact O-N 2.82Å; N444-Q447 PolarHBondContact O-N 3.25Å; N444-Q447 WeakPolarHBondContact OD1-CA 3.14Å; N444-Q447 WeakPolarHBondContact OD1-CB 3.17Å; N444-Q447 WeakPolarHBondContact OD1-CG 3.17Å; N444-Q447 PolarHBondContact OD1-N 3.15Å; N444-Q447 PolarHBondContact OD1-NE2 3.4Å; N444-S448 VanDerWaalsContact O-CB 3.23Å; N444-S448 WeakPolarHBondContact O-CB 3.43Å; N444-S448 PolarHBondContact O-N 3.03Å; N444-T1109 HydrophobicContact CB-CG2 3.4Å; N444-E1112 PolarHBondContact ND2-OE1 3.13Å; N444-E1112 PolarHBondContact ND2-OE2 2.99Å |
| 445 | A | 71 | Confident | 63.5 | Low | 9 Ų | 9 | 79.4 Ų | 79.4 | 7% | 0.074 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -52.1 | -53.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q447 S448 L449 Y541 M1116 | A445-Q447 PolarHBondContact O-N 3.41Å; A445-S448 WeakPolarHBondContact O-CB 3.42Å; A445-S448 PolarHBondContact O-N 3.45Å; A445-L449 PolarHBondContact O-N 3.32Å; A445-Y541 WeakPolarHBondContact CB-OH 3.36Å; A445-Y541 PolarHBondContact O-OH 3.2Å; A445-M1116 HydrophobicContact CB-CE 3.77Å |
| 446 | S | 77.6 | Confident | 66.2 | Low | 15 Ų | 15 | 74.2 Ų | 74.2 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | -179 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | N444 L450 F468 Y541 E1112 | N444-S446 PolarHBondContact ND2-OG 3.07Å; N444-S446 PolarHBondContact O-N 2.82Å; S446-L450 VanDerWaalsContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.46Å; S446-L450 PolarHBondContact O-N 3.38Å; S446-F468 VanDerWaalsContact O-CE2 3.29Å; S446-F468 WeakPolarHBondContact O-CE2 3.36Å; S446-F468 VanDerWaalsContact O-CZ 3.31Å; S446-F468 WeakPolarHBondContact O-CZ 3.32Å; S446-Y541 PolarHBondContact N-OH 3.22Å; S446-E1112 WeakPolarHBondContact CB-OE1 3.47Å; S446-E1112 PolarHBondContact N-OE1 2.92Å; S446-E1112 VanDerWaalsContact N-OE1 3.08Å; S446-E1112 PolarHBondContact OG-OE1 3.39Å |
| 447 | Q | 81.6 | Confident | 69.3 | Low | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.5 | -33.2 | 173.5 | -64.7 | 159.1 | 29.2 | 0 | 0 | 112 | N444 A445 L449 L450 V451 | N444-Q447 PolarHBondContact O-N 3.25Å; N444-Q447 WeakPolarHBondContact OD1-CA 3.14Å; N444-Q447 WeakPolarHBondContact OD1-CB 3.17Å; N444-Q447 WeakPolarHBondContact OD1-CG 3.17Å; N444-Q447 PolarHBondContact OD1-N 3.15Å; N444-Q447 PolarHBondContact OD1-NE2 3.4Å; A445-Q447 PolarHBondContact O-N 3.41Å; Q447-L449 VanDerWaalsContact C-N 3.35Å; Q447-L450 PolarHBondContact O-N 2.84Å; Q447-V451 WeakPolarHBondContact O-CB 3.49Å; Q447-V451 VanDerWaalsContact O-CG2 3.25Å; Q447-V451 WeakPolarHBondContact O-CG2 3.49Å; Q447-V451 PolarHBondContact O-N 3.26Å |
| 448 | S | 84 | Confident | 71.6 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | N444 A445 W452 R544 | N444-S448 VanDerWaalsContact O-CB 3.23Å; N444-S448 WeakPolarHBondContact O-CB 3.43Å; N444-S448 PolarHBondContact O-N 3.03Å; A445-S448 WeakPolarHBondContact O-CB 3.42Å; A445-S448 PolarHBondContact O-N 3.45Å; S448-W452 WeakPolarHBondContact O-CB 3.13Å; S448-W452 PolarHBondContact O-N 2.87Å; S448-R544 PolarHBondContact OG-NH1 2.62Å |
| 449 | L | 85.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 171.2 | -178.6 | 64.5 | 0 | 0 | 0 | 111.6 | A445 Q447 V451 W452 C453 F468 M537 L540 Y541 R544 | A445-L449 PolarHBondContact O-N 3.32Å; Q447-L449 VanDerWaalsContact C-N 3.35Å; L449-V451 PolarHBondContact O-N 3.29Å; L449-W452 HydrophobicContact CD1-CE3 4.1Å; L449-W452 PolarHBondContact O-N 2.94Å; L449-C453 PolarHBondContact O-N 3.42Å; L449-C453 PolarHBondContact O-SG 3.09Å; L449-F468 HydrophobicContact CB-CE1 4.49Å; L449-F468 HydrophobicContact CB-CZ 3.96Å; L449-F468 HydrophobicContact CD2-CE1 3.68Å; L449-F468 HydrophobicContact CD2-CZ 3.77Å; L449-F468 HydrophobicContact CG-CE1 3.82Å; L449-F468 HydrophobicContact CG-CZ 3.78Å; L449-M537 HydrophobicContact CD2-CB 4.31Å; L449-M537 HydrophobicContact CD2-CG 4.28Å; L449-L540 HydrophobicContact CD1-CB 4.19Å; L449-L540 HydrophobicContact CD2-CB 3.9Å; L449-L540 HydrophobicContact CG-CB 4.43Å; L449-Y541 HydrophobicContact CB-CE1 3.87Å; L449-Y541 HydrophobicContact CD1-CD1 4.27Å; L449-Y541 HydrophobicContact CD1-CE1 4.34Å; L449-Y541 HydrophobicContact CD2-CD1 4.14Å; L449-Y541 HydrophobicContact CD2-CD2 3.79Å; L449-Y541 HydrophobicContact CD2-CE1 3.94Å; L449-Y541 HydrophobicContact CD2-CE2 3.55Å; L449-Y541 HydrophobicContact CD2-CG 4.05Å; L449-Y541 HydrophobicContact CG-CE1 4.27Å; L449-R544 HydrophobicContact CD1-CB 4.12Å |
| 450 | L | 88.4 | Confident | 76.8 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | -177.3 | -168.2 | 70.1 | 0 | 0 | 0 | 112.2 | S446 Q447 K454 I465 F468 | S446-L450 VanDerWaalsContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.46Å; S446-L450 PolarHBondContact O-N 3.38Å; Q447-L450 PolarHBondContact O-N 2.84Å; L450-K454 HydrophobicContact CG-CD 4.42Å; L450-K454 WeakPolarHBondContact O-CB 3.45Å; L450-K454 WeakPolarHBondContact O-CD 3.34Å; L450-K454 WeakPolarHBondContact O-CG 3.31Å; L450-K454 PolarHBondContact O-N 2.84Å; L450-I465 HydrophobicContact CD1-CG2 3.72Å; L450-F468 HydrophobicContact CB-CE2 3.93Å; L450-F468 HydrophobicContact CB-CZ 3.64Å; L450-F468 HydrophobicContact CD1-CD1 4.47Å; L450-F468 HydrophobicContact CD1-CD2 4.41Å; L450-F468 HydrophobicContact CD1-CE1 4.07Å; L450-F468 HydrophobicContact CD1-CE2 4Å; L450-F468 HydrophobicContact CD1-CZ 3.83Å; L450-F468 HydrophobicContact CG-CE2 4.46Å; L450-F468 HydrophobicContact CG-CZ 4.34Å |
| 451 | V | 88 | Confident | 79.2 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 173.6 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | Q447 L449 K454 E455 | Q447-V451 WeakPolarHBondContact O-CB 3.49Å; Q447-V451 VanDerWaalsContact O-CG2 3.25Å; Q447-V451 WeakPolarHBondContact O-CG2 3.49Å; Q447-V451 PolarHBondContact O-N 3.26Å; L449-V451 PolarHBondContact O-N 3.29Å; V451-K454 PolarHBondContact O-N 3.22Å; V451-E455 WeakPolarHBondContact O-CB 3.37Å; V451-E455 PolarHBondContact O-N 3.08Å |
| 452 | W | 89 | Confident | 81.1 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 16% | 0.163 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 174.7 | 177.4 | 87.7 | 0 | 0 | 0 | 112.2 | S448 L449 K454 E455 V456 I481 F485 I543 R544 S548 | S448-W452 WeakPolarHBondContact O-CB 3.13Å; S448-W452 PolarHBondContact O-N 2.87Å; L449-W452 HydrophobicContact CD1-CE3 4.1Å; L449-W452 PolarHBondContact O-N 2.94Å; W452-K454 VanDerWaalsContact C-N 3.31Å; W452-K454 PolarHBondContact O-N 3.2Å; W452-E455 WeakPolarHBondContact O-CB 3.41Å; W452-E455 PolarHBondContact O-N 3.23Å; W452-E455 VanDerWaalsContact O-N 3.12Å; W452-V456 HydrophobicContact CD2-CG2 4.13Å; W452-V456 HydrophobicContact CH2-CG2 4.43Å; W452-V456 HydrophobicContact CZ2-CG2 3.92Å; W452-V456 WeakPolarHBondContact O-CG2 3.28Å; W452-V456 PolarHBondContact O-N 3.48Å; W452-I481 HydrophobicContact CH2-CD1 4.49Å; W452-I481 HydrophobicContact CH2-CG2 4.22Å; W452-I481 HydrophobicContact CZ3-CD1 4.05Å; W452-F485 HydrophobicContact CH2-CE2 4.15Å; W452-F485 AromaticContact CZ2-CE2 3.78Å; W452-F485 HydrophobicContact CZ2-CE2 3.78Å; W452-F485 AromaticContact CZ2-CZ 3.84Å; W452-F485 HydrophobicContact CZ2-CZ 3.84Å; W452-I543 HydrophobicContact CH2-CG2 4.21Å; W452-R544 HydrophobicContact CD2-CB 4.25Å; W452-R544 HydrophobicContact CD2-CG 3.65Å; W452-R544 HydrophobicContact CE3-CB 4Å; W452-R544 HydrophobicContact CE3-CG 3.92Å; W452-R544 HydrophobicContact CG-CG 4.12Å; W452-R544 HydrophobicContact CH2-CB 3.98Å; W452-R544 HydrophobicContact CH2-CG 4.24Å; W452-R544 HydrophobicContact CZ2-CB 4.18Å; W452-R544 HydrophobicContact CZ2-CG 3.96Å; W452-R544 HydrophobicContact CZ3-CB 3.87Å; W452-R544 HydrophobicContact CZ3-CG 4.2Å; W452-S548 PolarHBondContact NE1-OG 3.42Å |
| 453 | C | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | L449 T457 I465 W472 I481 | L449-C453 PolarHBondContact O-N 3.42Å; L449-C453 PolarHBondContact O-SG 3.09Å; C453-T457 WeakPolarHBondContact O-CG2 3.46Å; C453-T457 PolarHBondContact O-N 3.27Å; C453-T457 PolarHBondContact O-OG1 2.88Å; C453-I465 HydrophobicContact CB-CD1 3.86Å; C453-I465 HydrophobicContact CB-CG2 4.32Å; C453-W472 HydrophobicContact CB-CH2 3.85Å; C453-W472 HydrophobicContact CB-CZ2 3.88Å; C453-I481 HydrophobicContact CB-CD1 4.38Å |
| 454 | K | 90.4 | Very high | 84.6 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 173.6 | -77.7 | 166.5 | 179.5 | 169.3 | 0 | 111.6 | L450 V451 W452 T457 K458 I465 | L450-K454 HydrophobicContact CG-CD 4.42Å; L450-K454 WeakPolarHBondContact O-CB 3.45Å; L450-K454 WeakPolarHBondContact O-CD 3.34Å; L450-K454 WeakPolarHBondContact O-CG 3.31Å; L450-K454 PolarHBondContact O-N 2.84Å; V451-K454 PolarHBondContact O-N 3.22Å; W452-K454 VanDerWaalsContact C-N 3.31Å; W452-K454 PolarHBondContact O-N 3.2Å; K454-T457 CarbonylContact O-C 3.49Å; K454-T457 PolarHBondContact O-N 2.94Å; K454-T457 PolarHBondContact O-OG1 3.29Å; K454-K458 WeakPolarHBondContact O-CG 3.34Å; K454-K458 PolarHBondContact O-N 2.98Å; K454-I465 WeakPolarHBondContact CE-O 3.38Å; K454-I465 HydrophobicContact CG-CB 4.19Å; K454-I465 HydrophobicContact CG-CG2 4.45Å |
| 455 | E | 89.1 | Confident | 85.7 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.7 | -53.6 | -179.3 | -164.1 | 65.2 | -127 | 0 | 0 | 112 | V451 W452 T457 K458 | V451-E455 WeakPolarHBondContact O-CB 3.37Å; V451-E455 PolarHBondContact O-N 3.08Å; W452-E455 WeakPolarHBondContact O-CB 3.41Å; W452-E455 PolarHBondContact O-N 3.23Å; W452-E455 VanDerWaalsContact O-N 3.12Å; E455-T457 PolarHBondContact O-N 2.58Å; E455-K458 PolarHBondContact O-N 3.39Å; E455-K458 VanDerWaalsContact OE1-CE 3.31Å; E455-K458 WeakPolarHBondContact OE1-CE 3.4Å; E455-K458 IonicContact OE1-NZ 3.66Å; E455-K458 PolarHBondContact OE1-NZ 3.34Å; E455-K458 VanDerWaalsContact OE2-CE 3.23Å; E455-K458 WeakPolarHBondContact OE2-CE 3.32Å; E455-K458 IonicContact OE2-NZ 3.85Å; E455-K458 PolarHBondContact OE2-NZ 3.22Å |
| 456 | V | 89.1 | Confident | 86.4 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57 | -37.9 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | W452 I481 H484 F485 | W452-V456 HydrophobicContact CD2-CG2 4.13Å; W452-V456 HydrophobicContact CH2-CG2 4.43Å; W452-V456 HydrophobicContact CZ2-CG2 3.92Å; W452-V456 WeakPolarHBondContact O-CG2 3.28Å; W452-V456 PolarHBondContact O-N 3.48Å; V456-I481 HydrophobicContact CB-CG1 4.48Å; V456-I481 HydrophobicContact CG1-CB 4.27Å; V456-I481 HydrophobicContact CG1-CG1 3.83Å; V456-I481 HydrophobicContact CG1-CG2 4.35Å; V456-H484 HydrophobicContact CG1-CB 3.57Å; V456-H484 PolarHBondContact O-ND1 3.45Å; V456-F485 HydrophobicContact CG1-CE2 3.88Å; V456-F485 HydrophobicContact CG1-CZ 4.34Å; V456-F485 HydrophobicContact CG2-CE2 4.17Å; V456-F485 HydrophobicContact CG2-CZ 4Å |
| 457 | T | 90.4 | Very high | 86.9 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -96.6 | 1.7 | -175.3 | 63.4 | 0 | 0 | 0 | 0 | 116.3 | C453 K454 E455 N459 Y460 V463 I465 A480 I481 | C453-T457 WeakPolarHBondContact O-CG2 3.46Å; C453-T457 PolarHBondContact O-N 3.27Å; C453-T457 PolarHBondContact O-OG1 2.88Å; K454-T457 CarbonylContact O-C 3.49Å; K454-T457 PolarHBondContact O-N 2.94Å; K454-T457 PolarHBondContact O-OG1 3.29Å; E455-T457 PolarHBondContact O-N 2.58Å; T457-N459 PolarHBondContact O-N 3.34Å; T457-Y460 PolarHBondContact O-N 3.28Å; T457-Y460 VanDerWaalsContact O-N 3.07Å; T457-V463 HydrophobicContact CG2-CG1 4.09Å; T457-I465 HydrophobicContact CG2-CD1 3.73Å; T457-I465 WeakPolarHBondContact OG1-CD1 3.06Å; T457-A480 HydrophobicContact CG2-CB 3.78Å; T457-I481 HydrophobicContact CG2-CD1 4.49Å; T457-I481 HydrophobicContact CG2-CG1 3.73Å |
| 458 | K | 84.3 | Confident | 87.1 | Confident | 131 Ų | 131 | 65 Ų | 65 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -34.1 | -169.5 | -87.4 | -177.9 | -178 | 168 | 0 | 116.1 | K454 E455 | K454-K458 WeakPolarHBondContact O-CG 3.34Å; K454-K458 PolarHBondContact O-N 2.98Å; E455-K458 PolarHBondContact O-N 3.39Å; E455-K458 VanDerWaalsContact OE1-CE 3.31Å; E455-K458 WeakPolarHBondContact OE1-CE 3.4Å; E455-K458 IonicContact OE1-NZ 3.66Å; E455-K458 PolarHBondContact OE1-NZ 3.34Å; E455-K458 VanDerWaalsContact OE2-CE 3.23Å; E455-K458 WeakPolarHBondContact OE2-CE 3.32Å; E455-K458 IonicContact OE2-NZ 3.85Å; E455-K458 PolarHBondContact OE2-NZ 3.22Å |
| 459 | N | 84.7 | Confident | 87.2 | Confident | 162 Ų | 162 | 64.5 Ų | 64.5 | 87% | 0.866 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 3 | -170.6 | -60.8 | -19.6 | 0 | 0 | 0 | 113.9 | T457 | T457-N459 PolarHBondContact O-N 3.34Š|
| 460 | Y | 88.4 | Confident | 87.2 | Confident | 41 Ų | 41 | 68 Ų | 68 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | trans | -86.8 | 128.4 | -173.7 | -73.8 | -93.4 | 0 | 0 | 0 | 113 | T457 G462 V463 A480 H483 H484 Y492 | T457-Y460 PolarHBondContact O-N 3.28Å; T457-Y460 VanDerWaalsContact O-N 3.07Å; Y460-G462 PolarHBondContact O-N 3.12Å; Y460-V463 PolarHBondContact O-N 3.13Å; Y460-A480 HydrophobicContact CD1-CB 3.77Å; Y460-A480 HydrophobicContact CD2-CB 3.93Å; Y460-A480 HydrophobicContact CE1-CB 4.28Å; Y460-A480 HydrophobicContact CE2-CB 4.39Å; Y460-A480 HydrophobicContact CG-CB 3.58Å; Y460-H483 HydrophobicContact CE1-CB 3.94Å; Y460-H483 AromaticContact CE1-CG 3.8Å; Y460-H483 AromaticContact CE1-ND1 3.54Å; Y460-H483 AromaticContact CZ-ND1 3.68Å; Y460-H483 PolarHBondContact OH-ND1 3.44Å; Y460-H484 HydrophobicContact CE2-CB 4.29Å; Y460-H484 VanDerWaalsContact OH-CA 3.24Å; Y460-H484 WeakPolarHBondContact OH-CA 3.34Å; Y460-H484 PolarHBondContact OH-N 3.3Å; Y460-H484 VanDerWaalsContact OH-N 3.12Å; Y460-Y492 AromaticContact CD1-CD1 3.75Å; Y460-Y492 HydrophobicContact CD1-CD1 3.75Å; Y460-Y492 AromaticContact CD1-CD2 3.86Å; Y460-Y492 HydrophobicContact CD1-CD2 3.86Å; Y460-Y492 AromaticContact CD1-CE1 3.81Å; Y460-Y492 HydrophobicContact CD1-CE1 3.81Å; Y460-Y492 AromaticContact CD1-CE2 3.91Å; Y460-Y492 HydrophobicContact CD1-CE2 3.91Å; Y460-Y492 AromaticContact CD1-CG 3.8Å; Y460-Y492 HydrophobicContact CD1-CG 3.8Å; Y460-Y492 AromaticContact CD1-CZ 3.9Å; Y460-Y492 HydrophobicContact CE1-CD1 4.39Å; Y460-Y492 HydrophobicContact CE1-CD2 4.22Å; Y460-Y492 HydrophobicContact CE1-CG 4.11Å | ||
| 461 | R | 83.6 | Confident | 87.2 | Confident | 226 Ų | 226 | 67.4 Ų | 67.4 | 85% | 0.853 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.2 | 175.9 | 177.4 | -175.7 | -75.4 | -108.8 | 3.8 | 110 | V463 Y492 | R461-V463 VanDerWaalsContact C-N 3.33Å; R461-V463 PolarHBondContact O-N 2.82Å; R461-Y492 WeakPolarHBondContact O-CE1 3.3Å; R461-Y492 PolarHBondContact O-OH 3.33Å |
| 462 | G | 81.6 | Confident | 87.3 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -11.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y460 | Y460-G462 PolarHBondContact O-N 3.12Š|
| 463 | V | 88.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | trans | -92.3 | 128.3 | 177.6 | 167 | 0 | 0 | 0 | 0 | 111.1 | T457 Y460 R461 I465 L476 A480 Y492 | T457-V463 HydrophobicContact CG2-CG1 4.09Å; Y460-V463 PolarHBondContact O-N 3.13Å; R461-V463 VanDerWaalsContact C-N 3.33Å; R461-V463 PolarHBondContact O-N 2.82Å; V463-I465 HydrophobicContact CG1-CD1 4.16Å; V463-I465 HydrophobicContact CG1-CG1 3.79Å; V463-L476 VanDerWaalsContact CG2-C 3.49Å; V463-L476 HydrophobicContact CG2-CB 3.78Å; V463-L476 WeakPolarHBondContact CG2-O 3.38Å; V463-A480 HydrophobicContact CG2-CB 4.04Å; V463-Y492 VanDerWaalsContact CG2-OH 3.28Å; V463-Y492 WeakPolarHBondContact CG2-OH 3.39Å | ||
| 464 | K | 85.9 | Confident | 87.1 | Confident | 176 Ų | 176 | 66.5 Ų | 66.5 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | trans | -142.1 | 84.4 | 176 | -71.4 | -173.8 | 179.6 | 176.9 | 0 | 109.6 | T466 S471 | K464-T466 PolarHBondContact O-N 2.97Å; K464-S471 PolarHBondContact O-OG 2.78Å | ||
| 465 | I | 88.8 | Confident | 87 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | trans | -74.1 | 109.2 | -179.9 | -56.7 | 178.2 | 0 | 0 | 0 | 109.2 | L450 C453 K454 T457 V463 W472 | L450-I465 HydrophobicContact CD1-CG2 3.72Å; C453-I465 HydrophobicContact CB-CD1 3.86Å; C453-I465 HydrophobicContact CB-CG2 4.32Å; K454-I465 WeakPolarHBondContact CE-O 3.38Å; K454-I465 HydrophobicContact CG-CB 4.19Å; K454-I465 HydrophobicContact CG-CG2 4.45Å; T457-I465 HydrophobicContact CG2-CD1 3.73Å; T457-I465 WeakPolarHBondContact OG1-CD1 3.06Å; V463-I465 HydrophobicContact CG1-CD1 4.16Å; V463-I465 HydrophobicContact CG1-CG1 3.79Å; I465-W472 HydrophobicContact CD1-CH2 3.53Å; I465-W472 HydrophobicContact CD1-CZ2 3.67Å; I465-W472 HydrophobicContact CD1-CZ3 4.29Å; I465-W472 HydrophobicContact CG1-CH2 4.42Å; I465-W472 HydrophobicContact CG1-CZ2 4.17Å; I465-W472 HydrophobicContact CG2-CZ2 3.71Å | ||
| 466 | T | 86.1 | Confident | 87.1 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | trans | -119.7 | -27.1 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | K464 S471 | K464-T466 PolarHBondContact O-N 2.97Å; T466-S471 PolarHBondContact N-OG 2.66Å; T466-S471 PolarHBondContact OG1-OG 3.04Å | ||
| 467 | N | 86.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -137.8 | -178.1 | 178.9 | 64.4 | 36.1 | 0 | 0 | 0 | 111.8 | T469 T470 S471 W472 | N467-T469 VanDerWaalsContact OD1-C 3.29Å; N467-T469 WeakPolarHBondContact OD1-CA 3.2Å; N467-T469 PolarHBondContact OD1-N 3.08Å; N467-T469 PolarHBondContact OD1-OG1 3.01Å; N467-T470 PolarHBondContact ND2-OG1 2.71Å; N467-T470 PolarHBondContact OD1-N 3.23Å; N467-T470 VanDerWaalsContact OD1-N 3.1Å; N467-S471 PolarHBondContact N-OG 3.11Å; N467-S471 WeakPolarHBondContact OD1-CB 3.5Å; N467-S471 PolarHBondContact OD1-N 3.31Å; N467-S471 PolarHBondContact OD1-OG 3.4Å; N467-W472 PolarHBondContact O-NE1 3.18Å |
| 468 | F | 86.7 | Confident | 87.3 | Confident | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -103.9 | 29.8 | 170.5 | -66.7 | -68 | 0 | 0 | 0 | 112.5 | S446 L449 L450 K533 V536 M537 L540 | S446-F468 VanDerWaalsContact O-CE2 3.29Å; S446-F468 WeakPolarHBondContact O-CE2 3.36Å; S446-F468 VanDerWaalsContact O-CZ 3.31Å; S446-F468 WeakPolarHBondContact O-CZ 3.32Å; L449-F468 HydrophobicContact CB-CE1 4.49Å; L449-F468 HydrophobicContact CB-CZ 3.96Å; L449-F468 HydrophobicContact CD2-CE1 3.68Å; L449-F468 HydrophobicContact CD2-CZ 3.77Å; L449-F468 HydrophobicContact CG-CE1 3.82Å; L449-F468 HydrophobicContact CG-CZ 3.78Å; L450-F468 HydrophobicContact CB-CE2 3.93Å; L450-F468 HydrophobicContact CB-CZ 3.64Å; L450-F468 HydrophobicContact CD1-CD1 4.47Å; L450-F468 HydrophobicContact CD1-CD2 4.41Å; L450-F468 HydrophobicContact CD1-CE1 4.07Å; L450-F468 HydrophobicContact CD1-CE2 4Å; L450-F468 HydrophobicContact CD1-CZ 3.83Å; L450-F468 HydrophobicContact CG-CE2 4.46Å; L450-F468 HydrophobicContact CG-CZ 4.34Å; F468-K533 HydrophobicContact CB-CG 4.35Å; F468-V536 HydrophobicContact CB-CG1 4.28Å; F468-V536 VanDerWaalsContact O-CB 3.32Å; F468-V536 WeakPolarHBondContact O-CB 3.37Å; F468-V536 WeakPolarHBondContact O-CG1 3.4Å; F468-M537 HydrophobicContact CB-CG 3.78Å; F468-M537 HydrophobicContact CD1-CG 3.73Å; F468-M537 HydrophobicContact CD2-CG 3.51Å; F468-M537 HydrophobicContact CD2-SD 3.55Å; F468-M537 VanDerWaalsContact CD2-SD 3.55Å; F468-M537 HydrophobicContact CE1-CG 4.1Å; F468-M537 HydrophobicContact CE2-CG 3.9Å; F468-M537 HydrophobicContact CE2-SD 3.68Å; F468-M537 HydrophobicContact CG-CG 3.4Å; F468-M537 HydrophobicContact CG-SD 4.11Å; F468-M537 HydrophobicContact CZ-CG 4.16Å; F468-M537 HydrophobicContact CZ-SD 4.33Å; F468-L540 HydrophobicContact CD1-CD1 3.76Å; F468-L540 HydrophobicContact CE1-CD1 3.96Å |
| 469 | T | 86.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -134.1 | -98.8 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | N467 S471 W472 I530 P531 K533 | N467-T469 VanDerWaalsContact OD1-C 3.29Å; N467-T469 WeakPolarHBondContact OD1-CA 3.2Å; N467-T469 PolarHBondContact OD1-N 3.08Å; N467-T469 PolarHBondContact OD1-OG1 3.01Å; T469-S471 PolarHBondContact O-N 2.94Å; T469-S471 VanDerWaalsContact O-N 3.13Å; T469-W472 PolarHBondContact O-N 3.37Å; T469-I530 HydrophobicContact CG2-CG2 4.14Å; T469-P531 WeakPolarHBondContact CB-O 3.28Å; T469-P531 VanDerWaalsContact CG2-O 3.25Å; T469-P531 WeakPolarHBondContact CG2-O 3.42Å; T469-P531 VanDerWaalsContact O-CG 3.32Å; T469-P531 WeakPolarHBondContact O-CG 3.31Å; T469-K533 HydrophobicContact CG2-CB 3.72Å; T469-K533 HydrophobicContact CG2-CG 4.34Å |
| 470 | T | 85.8 | Confident | 88 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23 | -173.8 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | N467 W472 R473 I530 | N467-T470 PolarHBondContact ND2-OG1 2.71Å; N467-T470 PolarHBondContact OD1-N 3.23Å; N467-T470 VanDerWaalsContact OD1-N 3.1Å; T470-W472 PolarHBondContact O-N 2.96Å; T470-R473 PolarHBondContact O-N 2.96Å; T470-I530 HydrophobicContact CG2-CG1 4.13Å; T470-I530 HydrophobicContact CG2-CG2 4.28Å |
| 471 | S | 88.4 | Confident | 88.2 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18 | 172.4 | -71.7 | 0 | 0 | 0 | 0 | 114.5 | K464 T466 N467 T469 S477 | K464-S471 PolarHBondContact O-OG 2.78Å; T466-S471 PolarHBondContact N-OG 2.66Å; T466-S471 PolarHBondContact OG1-OG 3.04Å; N467-S471 PolarHBondContact N-OG 3.11Å; N467-S471 WeakPolarHBondContact OD1-CB 3.5Å; N467-S471 PolarHBondContact OD1-N 3.31Å; N467-S471 PolarHBondContact OD1-OG 3.4Å; T469-S471 PolarHBondContact O-N 2.94Å; T469-S471 VanDerWaalsContact O-N 3.13Å; S471-S477 WeakPolarHBondContact O-CB 3.32Å; S471-S477 PolarHBondContact O-OG 3.43Å |
| 472 | W | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -19.7 | -175.4 | -60.7 | 88.6 | 0 | 0 | 0 | 113 | C453 I465 N467 T469 T470 N474 G475 S477 F478 I481 V536 L540 | C453-W472 HydrophobicContact CB-CH2 3.85Å; C453-W472 HydrophobicContact CB-CZ2 3.88Å; I465-W472 HydrophobicContact CD1-CH2 3.53Å; I465-W472 HydrophobicContact CD1-CZ2 3.67Å; I465-W472 HydrophobicContact CD1-CZ3 4.29Å; I465-W472 HydrophobicContact CG1-CH2 4.42Å; I465-W472 HydrophobicContact CG1-CZ2 4.17Å; I465-W472 HydrophobicContact CG2-CZ2 3.71Å; N467-W472 PolarHBondContact O-NE1 3.18Å; T469-W472 PolarHBondContact O-N 3.37Å; T470-W472 PolarHBondContact O-N 2.96Å; W472-N474 VanDerWaalsContact C-N 3.29Å; W472-N474 PolarHBondContact O-N 3.47Å; W472-N474 VanDerWaalsContact O-N 3.16Å; W472-G475 PolarHBondContact O-N 2.9Å; W472-S477 VanDerWaalsContact CE3-CB 3.44Å; W472-S477 WeakPolarHBondContact CZ3-O 3.13Å; W472-F478 HydrophobicContact CB-CD2 4.48Å; W472-F478 HydrophobicContact CB-CE2 3.81Å; W472-F478 HydrophobicContact CB-CZ 4.16Å; W472-F478 HydrophobicContact CD2-CZ 4.35Å; W472-F478 AromaticContact CE3-CD1 3.77Å; W472-F478 HydrophobicContact CE3-CD1 3.77Å; W472-F478 HydrophobicContact CE3-CD2 4.09Å; W472-F478 AromaticContact CE3-CE1 3.72Å; W472-F478 HydrophobicContact CE3-CE1 3.72Å; W472-F478 HydrophobicContact CE3-CE2 4.05Å; W472-F478 AromaticContact CE3-CG 3.96Å; W472-F478 HydrophobicContact CE3-CG 3.96Å; W472-F478 AromaticContact CE3-CZ 3.86Å; W472-F478 HydrophobicContact CE3-CZ 3.86Å; W472-F478 HydrophobicContact CG-CZ 4.49Å; W472-F478 AromaticContact CZ3-CD1 3.96Å; W472-F478 HydrophobicContact CZ3-CD1 3.96Å; W472-F478 HydrophobicContact CZ3-CE1 4.14Å; W472-F478 HydrophobicContact CZ3-CG 4.37Å; W472-I481 HydrophobicContact CH2-CD1 3.68Å; W472-I481 HydrophobicContact CZ3-CD1 3.9Å; W472-V536 HydrophobicContact CB-CG1 4.21Å; W472-V536 HydrophobicContact CD2-CG1 4.26Å; W472-V536 HydrophobicContact CG-CG1 3.76Å; W472-L540 HydrophobicContact CD2-CD1 3.93Å; W472-L540 HydrophobicContact CE3-CD1 4.18Å; W472-L540 HydrophobicContact CE3-CD2 4.11Å; W472-L540 HydrophobicContact CH2-CD1 3.67Å; W472-L540 HydrophobicContact CH2-CD2 3.47Å; W472-L540 VanDerWaalsContact CH2-CD2 3.47Å; W472-L540 HydrophobicContact CH2-CG 4.24Å; W472-L540 HydrophobicContact CZ2-CD1 3.38Å; W472-L540 HydrophobicContact CZ2-CD2 4.12Å; W472-L540 HydrophobicContact CZ2-CG 4.41Å; W472-L540 HydrophobicContact CZ3-CD1 4.08Å; W472-L540 HydrophobicContact CZ3-CD2 3.48Å; W472-L540 VanDerWaalsContact CZ3-CD2 3.48Å; W472-L540 HydrophobicContact CZ3-CG 4.39Å |
| 473 | R | 86.6 | Confident | 89 | Confident | 66 Ų | 66 | 30 Ų | 30 | 25% | 0.249 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.1 | -169.7 | -166.1 | 179.9 | -179.5 | -151 | -6.6 | 113.5 | T470 G475 I500 N504 M525 V526 L528 A529 P531 | T470-R473 PolarHBondContact O-N 2.96Å; R473-G475 PolarHBondContact O-N 3.15Å; R473-I500 WeakPolarHBondContact O-CG2 3.42Å; R473-N504 PolarHBondContact O-ND2 3.38Å; R473-M525 HydrophobicContact CG-CB 4.47Å; R473-M525 VanDerWaalsContact CG-O 3.23Å; R473-M525 WeakPolarHBondContact CG-O 3.47Å; R473-M525 PolarHBondContact NE-O 3.34Å; R473-V526 PolarHBondContact NH2-O 2.62Å; R473-L528 VanDerWaalsContact CZ-O 3.26Å; R473-L528 PolarHBondContact NE-O 3.31Å; R473-L528 PolarHBondContact NH2-O 3.09Å; R473-A529 PolarHBondContact NH1-O 3.37Å; R473-A529 VanDerWaalsContact NH1-O 3.16Å; R473-P531 HydrophobicContact CB-CG 4.3Å |
| 474 | N | 87.3 | Confident | 89 | Confident | 41 Ų | 41 | 33.5 Ų | 33.5 | 22% | 0.219 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2.5 | -178.5 | 70.1 | -11.8 | 0 | 0 | 0 | 115 | W472 L476 N503 | W472-N474 VanDerWaalsContact C-N 3.29Å; W472-N474 PolarHBondContact O-N 3.47Å; W472-N474 VanDerWaalsContact O-N 3.16Å; N474-L476 PolarHBondContact O-N 3.45Å; N474-L476 PolarHBondContact OD1-N 3.48Å; N474-N503 WeakPolarHBondContact O-CB 3.4Å; N474-N503 PolarHBondContact O-ND2 2.86Å |
| 475 | G | 88.3 | Confident | 89 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 74.3 | -30.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W472 R473 S477 F478 C479 N504 | W472-G475 PolarHBondContact O-N 2.9Å; R473-G475 PolarHBondContact O-N 3.15Å; G475-S477 PolarHBondContact O-N 2.75Å; G475-S477 VanDerWaalsContact O-N 3.1Å; G475-F478 WeakPolarHBondContact O-CA 3.44Å; G475-F478 WeakPolarHBondContact O-CB 3.42Å; G475-F478 PolarHBondContact O-N 3.05Å; G475-C479 PolarHBondContact O-N 2.86Å; G475-C479 PolarHBondContact O-SG 3.31Å; G475-N504 VanDerWaalsContact CA-OD1 3.31Å; G475-N504 WeakPolarHBondContact CA-OD1 3.46Å; G475-N504 PolarHBondContact N-ND2 3.13Å |
| 476 | L | 91.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.9 | -36.4 | -176.7 | -63.1 | -173.2 | 0 | 0 | 0 | 113.8 | V463 N474 F478 C479 A480 L495 P497 | V463-L476 VanDerWaalsContact CG2-C 3.49Å; V463-L476 HydrophobicContact CG2-CB 3.78Å; V463-L476 WeakPolarHBondContact CG2-O 3.38Å; N474-L476 PolarHBondContact O-N 3.45Å; N474-L476 PolarHBondContact OD1-N 3.48Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 PolarHBondContact O-N 3.31Å; L476-C479 PolarHBondContact O-N 3.03Å; L476-A480 VanDerWaalsContact O-CB 3.29Å; L476-A480 WeakPolarHBondContact O-CB 3.45Å; L476-A480 PolarHBondContact O-N 3.14Å; L476-L495 HydrophobicContact CD2-CB 3.55Å; L476-L495 HydrophobicContact CD2-CD1 4.03Å; L476-L495 HydrophobicContact CD2-CG 4.45Å; L476-P497 HydrophobicContact CD1-CB 3.94Å; L476-P497 HydrophobicContact CD1-CG 3.77Å |
| 477 | S | 92.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -31 | 176.9 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | S471 W472 G475 I481 | S471-S477 WeakPolarHBondContact O-CB 3.32Å; S471-S477 PolarHBondContact O-OG 3.43Å; W472-S477 VanDerWaalsContact CE3-CB 3.44Å; W472-S477 WeakPolarHBondContact CZ3-O 3.13Å; G475-S477 PolarHBondContact O-N 2.75Å; G475-S477 VanDerWaalsContact O-N 3.1Å; S477-I481 WeakPolarHBondContact O-CG1 3.47Å |
| 478 | F | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.6 | -46.1 | 170 | -69.6 | -65.9 | 0 | 0 | 0 | 110.8 | W472 G475 L476 A480 I481 L482 A507 Y508 F511 L520 Y539 L540 I543 | W472-F478 HydrophobicContact CB-CD2 4.48Å; W472-F478 HydrophobicContact CB-CE2 3.81Å; W472-F478 HydrophobicContact CB-CZ 4.16Å; W472-F478 HydrophobicContact CD2-CZ 4.35Å; W472-F478 AromaticContact CE3-CD1 3.77Å; W472-F478 HydrophobicContact CE3-CD1 3.77Å; W472-F478 HydrophobicContact CE3-CD2 4.09Å; W472-F478 AromaticContact CE3-CE1 3.72Å; W472-F478 HydrophobicContact CE3-CE1 3.72Å; W472-F478 HydrophobicContact CE3-CE2 4.05Å; W472-F478 AromaticContact CE3-CG 3.96Å; W472-F478 HydrophobicContact CE3-CG 3.96Å; W472-F478 AromaticContact CE3-CZ 3.86Å; W472-F478 HydrophobicContact CE3-CZ 3.86Å; W472-F478 HydrophobicContact CG-CZ 4.49Å; W472-F478 AromaticContact CZ3-CD1 3.96Å; W472-F478 HydrophobicContact CZ3-CD1 3.96Å; W472-F478 HydrophobicContact CZ3-CE1 4.14Å; W472-F478 HydrophobicContact CZ3-CG 4.37Å; G475-F478 WeakPolarHBondContact O-CA 3.44Å; G475-F478 WeakPolarHBondContact O-CB 3.42Å; G475-F478 PolarHBondContact O-N 3.05Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 PolarHBondContact O-N 3.31Å; F478-A480 VanDerWaalsContact C-N 3.28Å; F478-A480 PolarHBondContact O-N 3.42Å; F478-I481 PolarHBondContact O-N 3.43Å; F478-I481 VanDerWaalsContact O-N 3.11Å; F478-L482 PolarHBondContact O-N 3.17Å; F478-A507 HydrophobicContact CB-CB 3.64Å; F478-Y508 HydrophobicContact CD1-CE1 4.4Å; F478-Y508 AromaticContact CD2-CE1 3.85Å; F478-Y508 HydrophobicContact CD2-CE1 3.85Å; F478-Y508 AromaticContact CE2-CE1 3.97Å; F478-Y508 HydrophobicContact CE2-CE1 3.97Å; F478-Y508 WeakPolarHBondContact CE2-OH 3.48Å; F478-Y508 HydrophobicContact CG-CE1 4.08Å; F478-Y508 HydrophobicContact CZ-CE1 4.31Å; F478-F511 HydrophobicContact CB-CE2 4.03Å; F478-F511 HydrophobicContact CD1-CE2 4.11Å; F478-F511 WeakPolarHBondContact O-CZ 3.39Å; F478-L520 HydrophobicContact CZ-CD1 4.33Å; F478-Y539 HydrophobicContact CD1-CD1 4.5Å; F478-Y539 HydrophobicContact CD1-CE1 4.44Å; F478-Y539 AromaticContact CE1-CD1 3.78Å; F478-Y539 HydrophobicContact CE1-CD1 3.78Å; F478-Y539 HydrophobicContact CE1-CE1 4.13Å; F478-Y539 HydrophobicContact CZ-CD1 4.22Å; F478-L540 HydrophobicContact CD1-CD2 4.16Å; F478-L540 HydrophobicContact CE1-CD2 3.75Å; F478-L540 HydrophobicContact CE1-CG 4.11Å; F478-I543 HydrophobicContact CD1-CD1 4.32Å; F478-I543 HydrophobicContact CE1-CD1 4.38Å |
| 479 | C | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -36.8 | 176.9 | -57 | 0 | 0 | 0 | 0 | 113.2 | G475 L476 L482 H483 I490 Y492 L495 N503 | G475-C479 PolarHBondContact O-N 2.86Å; G475-C479 PolarHBondContact O-SG 3.31Å; L476-C479 PolarHBondContact O-N 3.03Å; C479-L482 PolarHBondContact O-N 3.41Å; C479-H483 WeakPolarHBondContact O-CB 3.18Å; C479-H483 PolarHBondContact O-N 2.84Å; C479-I490 HydrophobicContact CB-CD1 3.77Å; C479-Y492 HydrophobicContact CB-CD2 4.11Å; C479-Y492 HydrophobicContact CB-CE2 4.21Å; C479-L495 HydrophobicContact CB-CD1 3.41Å; C479-L495 VanDerWaalsContact CB-CD1 3.41Å; C479-N503 PolarHBondContact SG-O 3.1Å; C479-N503 VanDerWaalsContact SG-O 3.41Å |
| 480 | A | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -33.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T457 Y460 V463 L476 F478 H484 Y492 | T457-A480 HydrophobicContact CG2-CB 3.78Å; Y460-A480 HydrophobicContact CD1-CB 3.77Å; Y460-A480 HydrophobicContact CD2-CB 3.93Å; Y460-A480 HydrophobicContact CE1-CB 4.28Å; Y460-A480 HydrophobicContact CE2-CB 4.39Å; Y460-A480 HydrophobicContact CG-CB 3.58Å; V463-A480 HydrophobicContact CG2-CB 4.04Å; L476-A480 VanDerWaalsContact O-CB 3.29Å; L476-A480 WeakPolarHBondContact O-CB 3.45Å; L476-A480 PolarHBondContact O-N 3.14Å; F478-A480 VanDerWaalsContact C-N 3.28Å; F478-A480 PolarHBondContact O-N 3.42Å; A480-H484 WeakPolarHBondContact O-CB 3.49Å; A480-H484 PolarHBondContact O-N 2.93Å; A480-H484 VanDerWaalsContact O-N 3.11Å; A480-Y492 HydrophobicContact CB-CD2 4.33Å; A480-Y492 HydrophobicContact CB-CE2 3.72Å |
| 481 | I | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.1 | -43.1 | 172.4 | -69 | -175.1 | 0 | 0 | 0 | 110.2 | W452 C453 V456 T457 W472 S477 F478 H484 F485 F511 L540 I543 | W452-I481 HydrophobicContact CH2-CD1 4.49Å; W452-I481 HydrophobicContact CH2-CG2 4.22Å; W452-I481 HydrophobicContact CZ3-CD1 4.05Å; C453-I481 HydrophobicContact CB-CD1 4.38Å; V456-I481 HydrophobicContact CB-CG1 4.48Å; V456-I481 HydrophobicContact CG1-CB 4.27Å; V456-I481 HydrophobicContact CG1-CG1 3.83Å; V456-I481 HydrophobicContact CG1-CG2 4.35Å; T457-I481 HydrophobicContact CG2-CD1 4.49Å; T457-I481 HydrophobicContact CG2-CG1 3.73Å; W472-I481 HydrophobicContact CH2-CD1 3.68Å; W472-I481 HydrophobicContact CZ3-CD1 3.9Å; S477-I481 WeakPolarHBondContact O-CG1 3.47Å; F478-I481 PolarHBondContact O-N 3.43Å; F478-I481 VanDerWaalsContact O-N 3.11Å; I481-H484 PolarHBondContact O-N 3.31Å; I481-F485 HydrophobicContact CG2-CD2 4.16Å; I481-F485 HydrophobicContact CG2-CE2 4.13Å; I481-F485 WeakPolarHBondContact O-CD2 3.36Å; I481-F485 PolarHBondContact O-N 3.1Å; I481-F511 HydrophobicContact CB-CZ 4.26Å; I481-F511 HydrophobicContact CG2-CE1 4.3Å; I481-F511 HydrophobicContact CG2-CZ 4.03Å; I481-L540 HydrophobicContact CD1-CD2 4.23Å; I481-I543 HydrophobicContact CG2-CG2 3.86Å |
| 482 | L | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.5 | -56.2 | 174.7 | -179.7 | 60.5 | 0 | 0 | 0 | 110.9 | F478 C479 H484 F485 R486 I490 F511 I514 | F478-L482 PolarHBondContact O-N 3.17Å; C479-L482 PolarHBondContact O-N 3.41Å; L482-H484 PolarHBondContact O-N 2.86Å; L482-F485 PolarHBondContact O-N 2.87Å; L482-F485 VanDerWaalsContact O-N 3.12Å; L482-R486 CarbonylContact O-C 3.58Å; L482-R486 PolarHBondContact O-N 2.65Å; L482-I490 HydrophobicContact CB-CG2 4.26Å; L482-I490 HydrophobicContact CD2-CB 4.1Å; L482-I490 HydrophobicContact CD2-CD1 4.18Å; L482-I490 HydrophobicContact CD2-CG2 3.82Å; L482-I490 HydrophobicContact CG-CG2 3.84Å; L482-F511 HydrophobicContact CB-CD1 4.43Å; L482-F511 HydrophobicContact CB-CE1 3.8Å; L482-F511 HydrophobicContact CB-CZ 3.95Å; L482-F511 HydrophobicContact CD1-CD1 3.83Å; L482-F511 HydrophobicContact CD1-CE1 3.96Å; L482-F511 HydrophobicContact CG-CE1 4.47Å; L482-I514 HydrophobicContact CD1-CD1 3.34Å |
| 483 | H | 91.4 | Very high | 88.3 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -28.4 | 178.5 | -175.4 | -66.2 | 0 | 0 | 0 | 113.4 | Y460 C479 F485 P487 I490 Y492 | Y460-H483 HydrophobicContact CE1-CB 3.94Å; Y460-H483 AromaticContact CE1-CG 3.8Å; Y460-H483 AromaticContact CE1-ND1 3.54Å; Y460-H483 AromaticContact CZ-ND1 3.68Å; Y460-H483 PolarHBondContact OH-ND1 3.44Å; C479-H483 WeakPolarHBondContact O-CB 3.18Å; C479-H483 PolarHBondContact O-N 2.84Å; H483-F485 VanDerWaalsContact C-N 3.34Å; H483-P487 WeakPolarHBondContact O-CA 3.31Å; H483-P487 WeakPolarHBondContact O-CD 3.2Å; H483-I490 HydrophobicContact CB-CG2 3.89Å; H483-I490 PolarHBondContact CD2-O 2.84Å; H483-I490 VanDerWaalsContact CD2-O 3.27Å; H483-Y492 WeakPolarHBondContact CD2-CB 3.49Å |
| 484 | H | 88.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 47.9 Ų | 47.9 | 43% | 0.426 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.1 | -33 | 177.9 | -173.5 | 108.5 | 0 | 0 | 0 | 112.6 | V456 Y460 A480 I481 L482 | V456-H484 HydrophobicContact CG1-CB 3.57Å; V456-H484 PolarHBondContact O-ND1 3.45Å; Y460-H484 HydrophobicContact CE2-CB 4.29Å; Y460-H484 VanDerWaalsContact OH-CA 3.24Å; Y460-H484 WeakPolarHBondContact OH-CA 3.34Å; Y460-H484 PolarHBondContact OH-N 3.3Å; Y460-H484 VanDerWaalsContact OH-N 3.12Å; A480-H484 WeakPolarHBondContact O-CB 3.49Å; A480-H484 PolarHBondContact O-N 2.93Å; A480-H484 VanDerWaalsContact O-N 3.11Å; I481-H484 PolarHBondContact O-N 3.31Å; L482-H484 PolarHBondContact O-N 2.86Å |
| 485 | F | 86.4 | Confident | 88.3 | Confident | 65 Ų | 65 | 47 Ų | 47 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -101.3 | -24.9 | -179.4 | -65.1 | -67.1 | 0 | 0 | 0 | 113.6 | W452 V456 I481 L482 H483 F547 | W452-F485 HydrophobicContact CH2-CE2 4.15Å; W452-F485 AromaticContact CZ2-CE2 3.78Å; W452-F485 HydrophobicContact CZ2-CE2 3.78Å; W452-F485 AromaticContact CZ2-CZ 3.84Å; W452-F485 HydrophobicContact CZ2-CZ 3.84Å; V456-F485 HydrophobicContact CG1-CE2 3.88Å; V456-F485 HydrophobicContact CG1-CZ 4.34Å; V456-F485 HydrophobicContact CG2-CE2 4.17Å; V456-F485 HydrophobicContact CG2-CZ 4Å; I481-F485 HydrophobicContact CG2-CD2 4.16Å; I481-F485 HydrophobicContact CG2-CE2 4.13Å; I481-F485 WeakPolarHBondContact O-CD2 3.36Å; I481-F485 PolarHBondContact O-N 3.1Å; L482-F485 PolarHBondContact O-N 2.87Å; L482-F485 VanDerWaalsContact O-N 3.12Å; H483-F485 VanDerWaalsContact C-N 3.34Å; F485-F547 HydrophobicContact CB-CD1 3.6Å; F485-F547 HydrophobicContact CB-CE1 3.46Å; F485-F547 VanDerWaalsContact CB-CE1 3.46Å; F485-F547 HydrophobicContact CB-CE2 4.43Å; F485-F547 HydrophobicContact CB-CG 4.17Å; F485-F547 HydrophobicContact CB-CZ 3.92Å; F485-F547 HydrophobicContact CD1-CB 4.1Å; F485-F547 HydrophobicContact CD1-CD1 4.01Å; F485-F547 HydrophobicContact CD1-CG 4.1Å; F485-F547 HydrophobicContact CD2-CB 4.04Å; F485-F547 AromaticContact CD2-CD1 3.94Å; F485-F547 HydrophobicContact CD2-CD1 3.94Å; F485-F547 AromaticContact CD2-CD2 3.57Å; F485-F547 HydrophobicContact CD2-CD2 3.57Å; F485-F547 HydrophobicContact CD2-CE1 4.29Å; F485-F547 AromaticContact CD2-CE2 3.94Å; F485-F547 HydrophobicContact CD2-CE2 3.94Å; F485-F547 AromaticContact CD2-CG 3.57Å; F485-F547 HydrophobicContact CD2-CG 3.57Å; F485-F547 HydrophobicContact CD2-CZ 4.28Å; F485-F547 HydrophobicContact CE1-CB 3.99Å; F485-F547 HydrophobicContact CE1-CG 4.43Å; F485-F547 HydrophobicContact CE2-CB 3.93Å; F485-F547 AromaticContact CE2-CD2 3.95Å; F485-F547 HydrophobicContact CE2-CD2 3.95Å; F485-F547 AromaticContact CE2-CG 3.94Å; F485-F547 HydrophobicContact CE2-CG 3.94Å; F485-F547 HydrophobicContact CG-CB 4.14Å; F485-F547 AromaticContact CG-CD1 3.57Å; F485-F547 HydrophobicContact CG-CD1 3.57Å; F485-F547 HydrophobicContact CG-CD2 4.11Å; F485-F547 AromaticContact CG-CE1 3.94Å; F485-F547 HydrophobicContact CG-CE1 3.94Å; F485-F547 HydrophobicContact CG-CE2 4.42Å; F485-F547 AromaticContact CG-CG 3.67Å; F485-F547 HydrophobicContact CG-CG 3.67Å; F485-F547 HydrophobicContact CG-CZ 4.34Å; F485-F547 HydrophobicContact CZ-CB 3.91Å; F485-F547 HydrophobicContact CZ-CG 4.36Å |
| 486 | R | 82.8 | Confident | 88.2 | Confident | 124 Ų | 124 | 50.5 Ų | 50.5 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | trans | -147.8 | 85.3 | 175.9 | -62.8 | -59.6 | -66 | -134.9 | -1.5 | 109.8 | L482 D488 L489 I514 | L482-R486 CarbonylContact O-C 3.58Å; L482-R486 PolarHBondContact O-N 2.65Å; R486-D488 VanDerWaalsContact C-N 3.26Å; R486-D488 IonicContact CZ-OD2 2.61Å; R486-D488 IonicContact NE-OD2 2.96Å; R486-D488 PolarHBondContact NE-OD2 2.71Å; R486-D488 IonicContact NH2-OD2 3.95Å; R486-D488 PolarHBondContact NH2-OD2 3.5Å; R486-D488 VanDerWaalsContact NH2-OD2 3.12Å; R486-D488 PolarHBondContact O-N 2.93Å; R486-L489 HydrophobicContact CB-CB 4.37Å; R486-L489 HydrophobicContact CB-CD1 3.85Å; R486-L489 HydrophobicContact CB-CG 4.2Å; R486-L489 HydrophobicContact CG-CD1 4.13Å; R486-L489 PolarHBondContact O-N 3.42Å; R486-I514 HydrophobicContact CB-CD1 4.01Å; R486-I514 HydrophobicContact CG-CD1 3.54Å; R486-I514 HydrophobicContact CG-CG1 4.04Å | ||
| 487 | P | 84.9 | Confident | 88 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -63.6 | -35.4 | 178.1 | 26 | -32.9 | 0 | 0 | 0 | 112 | H483 L489 I490 | H483-P487 WeakPolarHBondContact O-CA 3.31Å; H483-P487 WeakPolarHBondContact O-CD 3.2Å; P487-L489 PolarHBondContact O-N 3.38Å; P487-L489 VanDerWaalsContact O-N 3.1Å; P487-I490 CarbonylContact O-C 3.45Å; P487-I490 PolarHBondContact O-N 3.43Å; P487-I490 VanDerWaalsContact O-N 3.14Å; P487-I490 VanDerWaalsContact O-O 3.13Å |
| 488 | D | 82.9 | Confident | 87.6 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 60% | 0.599 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -51.5 | -26.7 | 176.2 | 16.5 | -64.2 | 0 | 0 | 0 | 114.5 | R486 | R486-D488 VanDerWaalsContact C-N 3.26Å; R486-D488 IonicContact CZ-OD2 2.61Å; R486-D488 IonicContact NE-OD2 2.96Å; R486-D488 PolarHBondContact NE-OD2 2.71Å; R486-D488 IonicContact NH2-OD2 3.95Å; R486-D488 PolarHBondContact NH2-OD2 3.5Å; R486-D488 VanDerWaalsContact NH2-OD2 3.12Å; R486-D488 PolarHBondContact O-N 2.93Å |
| 489 | L | 83.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -91 | -6.8 | -177.7 | -70.5 | 174.4 | 0 | 0 | 0 | 114.7 | R486 P487 I514 | R486-L489 HydrophobicContact CB-CB 4.37Å; R486-L489 HydrophobicContact CB-CD1 3.85Å; R486-L489 HydrophobicContact CB-CG 4.2Å; R486-L489 HydrophobicContact CG-CD1 4.13Å; R486-L489 PolarHBondContact O-N 3.42Å; P487-L489 PolarHBondContact O-N 3.38Å; P487-L489 VanDerWaalsContact O-N 3.1Å; L489-I514 HydrophobicContact CD1-CD1 3.76Å; L489-I514 HydrophobicContact CD1-CG1 3.45Å; L489-I514 VanDerWaalsContact CD1-CG1 3.45Å |
| 490 | I | 88.1 | Confident | 87.2 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | trans | -160.1 | 117.3 | 179.7 | -168.1 | 162.8 | 0 | 0 | 0 | 112.1 | C479 L482 H483 P487 Y492 L495 K506 | C479-I490 HydrophobicContact CB-CD1 3.77Å; L482-I490 HydrophobicContact CB-CG2 4.26Å; L482-I490 HydrophobicContact CD2-CB 4.1Å; L482-I490 HydrophobicContact CD2-CD1 4.18Å; L482-I490 HydrophobicContact CD2-CG2 3.82Å; L482-I490 HydrophobicContact CG-CG2 3.84Å; H483-I490 HydrophobicContact CB-CG2 3.89Å; H483-I490 PolarHBondContact CD2-O 2.84Å; H483-I490 VanDerWaalsContact CD2-O 3.27Å; P487-I490 CarbonylContact O-C 3.45Å; P487-I490 PolarHBondContact O-N 3.43Å; P487-I490 VanDerWaalsContact O-N 3.14Å; P487-I490 VanDerWaalsContact O-O 3.13Å; I490-Y492 PolarHBondContact O-N 3.01Å; I490-L495 HydrophobicContact CD1-CD1 3.93Å; I490-L495 HydrophobicContact CD1-CD2 4.42Å; I490-L495 HydrophobicContact CG1-CD1 4.18Å; I490-L495 HydrophobicContact CG1-CD2 4.47Å; I490-K506 HydrophobicContact CD1-CB 4.05Å | ||
| 491 | D | 86.8 | Confident | 87 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | trans | -68.8 | 108.5 | 165 | 171.6 | 41 | 0 | 0 | 0 | 109.6 | K493 S494 L495 | D491-K493 VanDerWaalsContact C-N 3.29Å; D491-K493 PolarHBondContact O-N 2.53Å; D491-K493 VanDerWaalsContact OD1-CB 3.32Å; D491-K493 WeakPolarHBondContact OD1-CB 3.38Å; D491-K493 PolarHBondContact OD1-N 3.5Å; D491-S494 PolarHBondContact O-OG 3.02Å; D491-S494 WeakPolarHBondContact OD2-CB 3.44Å; D491-S494 PolarHBondContact OD2-N 3.08Å; D491-S494 PolarHBondContact OD2-OG 3.21Å; D491-L495 WeakPolarHBondContact O-CG 2.92Å | ||
| 492 | Y | 88.2 | Confident | 86.8 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 8% | 0.075 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -72.9 | -21.7 | 177.4 | -173.1 | -85.1 | 0 | 0 | 0 | 112.7 | Y460 R461 V463 C479 A480 H483 I490 L495 | Y460-Y492 AromaticContact CD1-CD1 3.75Å; Y460-Y492 HydrophobicContact CD1-CD1 3.75Å; Y460-Y492 AromaticContact CD1-CD2 3.86Å; Y460-Y492 HydrophobicContact CD1-CD2 3.86Å; Y460-Y492 AromaticContact CD1-CE1 3.81Å; Y460-Y492 HydrophobicContact CD1-CE1 3.81Å; Y460-Y492 AromaticContact CD1-CE2 3.91Å; Y460-Y492 HydrophobicContact CD1-CE2 3.91Å; Y460-Y492 AromaticContact CD1-CG 3.8Å; Y460-Y492 HydrophobicContact CD1-CG 3.8Å; Y460-Y492 AromaticContact CD1-CZ 3.9Å; Y460-Y492 HydrophobicContact CE1-CD1 4.39Å; Y460-Y492 HydrophobicContact CE1-CD2 4.22Å; Y460-Y492 HydrophobicContact CE1-CG 4.11Å; R461-Y492 WeakPolarHBondContact O-CE1 3.3Å; R461-Y492 PolarHBondContact O-OH 3.33Å; V463-Y492 VanDerWaalsContact CG2-OH 3.28Å; V463-Y492 WeakPolarHBondContact CG2-OH 3.39Å; C479-Y492 HydrophobicContact CB-CD2 4.11Å; C479-Y492 HydrophobicContact CB-CE2 4.21Å; A480-Y492 HydrophobicContact CB-CD2 4.33Å; A480-Y492 HydrophobicContact CB-CE2 3.72Å; H483-Y492 WeakPolarHBondContact CD2-CB 3.49Å; I490-Y492 PolarHBondContact O-N 3.01Å; Y492-L495 HydrophobicContact CD2-CD1 3.92Å; Y492-L495 HydrophobicContact CE2-CD1 4.37Å; Y492-L495 HydrophobicContact CG-CD1 4.43Å; Y492-L495 PolarHBondContact O-N 3.24Å |
| 493 | K | 85.7 | Confident | 86.9 | Confident | 189 Ų | 189 | 78.1 Ų | 78.1 | 82% | 0.822 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -76.2 | -31.4 | -170.7 | -60.8 | 166.3 | -170.2 | 153 | 0 | 112.8 | D491 | D491-K493 VanDerWaalsContact C-N 3.29Å; D491-K493 PolarHBondContact O-N 2.53Å; D491-K493 VanDerWaalsContact OD1-CB 3.32Å; D491-K493 WeakPolarHBondContact OD1-CB 3.38Å; D491-K493 PolarHBondContact OD1-N 3.5Å |
| 494 | S | 86.6 | Confident | 86.8 | Confident | 87 Ų | 87 | 76 Ų | 76 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -81.5 | -11 | 174.3 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | D491 N496 | D491-S494 PolarHBondContact O-OG 3.02Å; D491-S494 WeakPolarHBondContact OD2-CB 3.44Å; D491-S494 PolarHBondContact OD2-N 3.08Å; D491-S494 PolarHBondContact OD2-OG 3.21Å; S494-N496 PolarHBondContact O-N 3.24Å |
| 495 | L | 88.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.12 | 38% | 0.382 | C | S | . | . | trans | -68.7 | 123.7 | -177.5 | -59.4 | 179.5 | 0 | 0 | 0 | 112.8 | L476 C479 I490 D491 Y492 K506 | L476-L495 HydrophobicContact CD2-CB 3.55Å; L476-L495 HydrophobicContact CD2-CD1 4.03Å; L476-L495 HydrophobicContact CD2-CG 4.45Å; C479-L495 HydrophobicContact CB-CD1 3.41Å; C479-L495 VanDerWaalsContact CB-CD1 3.41Å; I490-L495 HydrophobicContact CD1-CD1 3.93Å; I490-L495 HydrophobicContact CD1-CD2 4.42Å; I490-L495 HydrophobicContact CG1-CD1 4.18Å; I490-L495 HydrophobicContact CG1-CD2 4.47Å; D491-L495 WeakPolarHBondContact O-CG 2.92Å; Y492-L495 HydrophobicContact CD2-CD1 3.92Å; Y492-L495 HydrophobicContact CE2-CD1 4.37Å; Y492-L495 HydrophobicContact CG-CD1 4.43Å; Y492-L495 PolarHBondContact O-N 3.24Å; L495-K506 HydrophobicContact CD2-CD 4.39Å | ||
| 496 | N | 85.8 | Confident | 87 | Confident | 74 Ų | 74 | 78.2 Ų | 78.2 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | trans | -94.1 | 128.4 | 178.2 | 171.7 | 20.5 | 0 | 0 | 0 | 110.8 | S494 Q498 D499 N503 | S494-N496 PolarHBondContact O-N 3.24Å; N496-Q498 PolarHBondContact O-N 3.15Å; N496-Q498 PolarHBondContact OD1-N 3.13Å; N496-D499 VanDerWaalsContact CB-OD2 3.28Å; N496-D499 WeakPolarHBondContact CB-OD2 3.37Å; N496-D499 PolarHBondContact ND2-OD2 2.85Å; N496-D499 PolarHBondContact O-N 2.91Å; N496-N503 PolarHBondContact O-ND2 3.13Å | ||
| 497 | P | 86.4 | Confident | 87.4 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.7 | 177.9 | -22.7 | 28.8 | 0 | 0 | 0 | 116 | L476 | L476-P497 HydrophobicContact CD1-CB 3.94Å; L476-P497 HydrophobicContact CD1-CG 3.77Å |
| 498 | Q | 85.1 | Confident | 87.7 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -24.6 | -175.7 | -164.1 | 64.2 | 16.1 | 0 | 0 | 113.4 | N496 I500 | N496-Q498 PolarHBondContact O-N 3.15Å; N496-Q498 PolarHBondContact OD1-N 3.13Å; Q498-I500 PolarHBondContact O-N 3.46Å |
| 499 | D | 87.6 | Confident | 87.8 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | trans | -86.8 | 56.1 | -169.4 | -61.3 | -43.1 | 0 | 0 | 0 | 112.4 | N496 K501 E502 N503 | N496-D499 VanDerWaalsContact CB-OD2 3.28Å; N496-D499 WeakPolarHBondContact CB-OD2 3.37Å; N496-D499 PolarHBondContact ND2-OD2 2.85Å; N496-D499 PolarHBondContact O-N 2.91Å; D499-K501 VanDerWaalsContact C-N 3.32Å; D499-K501 PolarHBondContact O-N 2.94Å; D499-K501 VanDerWaalsContact O-N 3.17Å; D499-E502 HydrophobicContact CB-CB 4.49Å; D499-E502 PolarHBondContact O-N 3.29Å; D499-N503 PolarHBondContact O-N 3.01Å | ||
| 500 | I | 86.7 | Confident | 87.8 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -43.8 | -51.5 | -174.1 | -67.2 | 173 | 0 | 0 | 0 | 112.5 | R473 Q498 N504 M525 V526 | R473-I500 WeakPolarHBondContact O-CG2 3.42Å; Q498-I500 PolarHBondContact O-N 3.46Å; I500-N504 PolarHBondContact O-N 3.1Å; I500-N504 PolarHBondContact O-ND2 3.07Å; I500-M525 HydrophobicContact CG2-CB 4.33Å; I500-V526 HydrophobicContact CB-CG2 4.5Å; I500-V526 HydrophobicContact CG2-CG2 3.73Å |
| 501 | K | 87.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 63 Ų | 63 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.9 | -40.2 | -176 | -166 | 178 | -179.6 | -179.7 | 0 | 111.8 | D499 K505 P522 V526 | D499-K501 VanDerWaalsContact C-N 3.32Å; D499-K501 PolarHBondContact O-N 2.94Å; D499-K501 VanDerWaalsContact O-N 3.17Å; K501-K505 WeakPolarHBondContact O-CB 3.32Å; K501-K505 PolarHBondContact O-N 3.4Å; K501-P522 HydrophobicContact CG-CB 4.18Å; K501-P522 WeakPolarHBondContact O-CB 3.39Å; K501-V526 HydrophobicContact CB-CG2 3.78Å; K501-V526 HydrophobicContact CG-CG2 4.17Å |
| 502 | E | 89.1 | Confident | 87.3 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80.6 | -38.9 | -173.9 | -160.6 | 179 | 123.4 | 0 | 0 | 112.1 | D499 K505 K506 | D499-E502 HydrophobicContact CB-CB 4.49Å; D499-E502 PolarHBondContact O-N 3.29Å; E502-K505 PolarHBondContact O-N 3.01Å; E502-K506 HydrophobicContact CG-CD 4.21Å; E502-K506 WeakPolarHBondContact O-CB 2.99Å; E502-K506 WeakPolarHBondContact O-CG 3.39Å; E502-K506 PolarHBondContact O-N 2.87Å; E502-K506 VanDerWaalsContact OE1-CE 3.26Å; E502-K506 WeakPolarHBondContact OE1-CE 3.33Å; E502-K506 IonicContact OE1-NZ 2.64Å; E502-K506 PolarHBondContact OE1-NZ 3.48Å |
| 503 | N | 91.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 174 | -68.1 | -20.6 | 0 | 0 | 0 | 111.4 | N474 C479 N496 D499 K506 A507 | N474-N503 WeakPolarHBondContact O-CB 3.4Å; N474-N503 PolarHBondContact O-ND2 2.86Å; C479-N503 PolarHBondContact SG-O 3.1Å; C479-N503 VanDerWaalsContact SG-O 3.41Å; N496-N503 PolarHBondContact O-ND2 3.13Å; D499-N503 PolarHBondContact O-N 3.01Å; N503-K506 PolarHBondContact O-N 2.87Å; N503-A507 WeakPolarHBondContact O-CB 3.49Å; N503-A507 PolarHBondContact O-N 2.94Å |
| 504 | N | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.9 | -73.2 | -71.5 | 0 | 0 | 0 | 111.4 | R473 G475 I500 A507 Y508 P522 M525 | R473-N504 PolarHBondContact O-ND2 3.38Å; G475-N504 VanDerWaalsContact CA-OD1 3.31Å; G475-N504 WeakPolarHBondContact CA-OD1 3.46Å; G475-N504 PolarHBondContact N-ND2 3.13Å; I500-N504 PolarHBondContact O-N 3.1Å; I500-N504 PolarHBondContact O-ND2 3.07Å; N504-A507 PolarHBondContact O-N 2.91Å; N504-Y508 HydrophobicContact CB-CE2 3.98Å; N504-Y508 WeakPolarHBondContact O-CB 3.21Å; N504-Y508 WeakPolarHBondContact O-CD1 3.35Å; N504-Y508 WeakPolarHBondContact O-CD2 3.47Å; N504-Y508 PolarHBondContact O-N 2.72Å; N504-Y508 PolarHBondContact OD1-OH 3.06Å; N504-P522 HydrophobicContact CB-CB 4.23Å; N504-M525 HydrophobicContact CB-CG 4.46Å |
| 505 | K | 90.3 | Very high | 85.5 | Confident | 112 Ų | 112 | 52.8 Ų | 52.8 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.5 | -54.7 | 172.8 | -178 | -179.9 | 171.6 | -173.4 | 0 | 111.5 | K501 E502 A507 Y508 D509 P522 | K501-K505 WeakPolarHBondContact O-CB 3.32Å; K501-K505 PolarHBondContact O-N 3.4Å; E502-K505 PolarHBondContact O-N 3.01Å; K505-A507 VanDerWaalsContact C-N 3.26Å; K505-A507 PolarHBondContact O-N 2.87Å; K505-Y508 PolarHBondContact O-N 3.26Å; K505-Y508 VanDerWaalsContact O-N 3.14Å; K505-D509 WeakPolarHBondContact CE-OD2 3.43Å; K505-D509 VanDerWaalsContact CG-OD2 3.24Å; K505-D509 WeakPolarHBondContact CG-OD2 3.45Å; K505-D509 VanDerWaalsContact O-CB 3.3Å; K505-D509 WeakPolarHBondContact O-CB 3.1Å; K505-D509 VanDerWaalsContact O-CG 3.27Å; K505-D509 PolarHBondContact O-N 3.2Å; K505-P522 HydrophobicContact CB-CB 4.25Å; K505-P522 HydrophobicContact CB-CG 3.76Å; K505-P522 HydrophobicContact CG-CG 4.4Å |
| 506 | K | 89.3 | Confident | 85.1 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.3 | -41.2 | 178.9 | -77.4 | 170.6 | 166.2 | 167.2 | 0 | 111.8 | I490 L495 E502 N503 G510 | I490-K506 HydrophobicContact CD1-CB 4.05Å; L495-K506 HydrophobicContact CD2-CD 4.39Å; E502-K506 HydrophobicContact CG-CD 4.21Å; E502-K506 WeakPolarHBondContact O-CB 2.99Å; E502-K506 WeakPolarHBondContact O-CG 3.39Å; E502-K506 PolarHBondContact O-N 2.87Å; E502-K506 VanDerWaalsContact OE1-CE 3.26Å; E502-K506 WeakPolarHBondContact OE1-CE 3.33Å; E502-K506 IonicContact OE1-NZ 2.64Å; E502-K506 PolarHBondContact OE1-NZ 3.48Å; N503-K506 PolarHBondContact O-N 2.87Å; K506-G510 PolarHBondContact O-N 3.1Å |
| 507 | A | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -47.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | F478 N503 N504 K505 G510 F511 | F478-A507 HydrophobicContact CB-CB 3.64Å; N503-A507 WeakPolarHBondContact O-CB 3.49Å; N503-A507 PolarHBondContact O-N 2.94Å; N504-A507 PolarHBondContact O-N 2.91Å; K505-A507 VanDerWaalsContact C-N 3.26Å; K505-A507 PolarHBondContact O-N 2.87Å; A507-G510 PolarHBondContact O-N 3.35Å; A507-F511 HydrophobicContact CB-CE2 4.44Å; A507-F511 WeakPolarHBondContact O-CB 3.24Å; A507-F511 WeakPolarHBondContact O-CD2 3.42Å; A507-F511 VanDerWaalsContact O-CG 3.31Å; A507-F511 WeakPolarHBondContact O-CG 3.44Å; A507-F511 PolarHBondContact O-N 3.16Å |
| 508 | Y | 90.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75 | -25.7 | -177.6 | -55.4 | -16.3 | 0 | 0 | 0 | 112.5 | F478 N504 K505 A512 R518 L520 P522 Y539 | F478-Y508 HydrophobicContact CD1-CE1 4.4Å; F478-Y508 AromaticContact CD2-CE1 3.85Å; F478-Y508 HydrophobicContact CD2-CE1 3.85Å; F478-Y508 AromaticContact CE2-CE1 3.97Å; F478-Y508 HydrophobicContact CE2-CE1 3.97Å; F478-Y508 WeakPolarHBondContact CE2-OH 3.48Å; F478-Y508 HydrophobicContact CG-CE1 4.08Å; F478-Y508 HydrophobicContact CZ-CE1 4.31Å; N504-Y508 HydrophobicContact CB-CE2 3.98Å; N504-Y508 WeakPolarHBondContact O-CB 3.21Å; N504-Y508 WeakPolarHBondContact O-CD1 3.35Å; N504-Y508 WeakPolarHBondContact O-CD2 3.47Å; N504-Y508 PolarHBondContact O-N 2.72Å; N504-Y508 PolarHBondContact OD1-OH 3.06Å; K505-Y508 PolarHBondContact O-N 3.26Å; K505-Y508 VanDerWaalsContact O-N 3.14Å; Y508-A512 VanDerWaalsContact O-CB 3.24Å; Y508-A512 WeakPolarHBondContact O-CB 3.43Å; Y508-A512 PolarHBondContact O-N 3.48Å; Y508-R518 PolarHBondContact O-NE 2.81Å; Y508-R518 VanDerWaalsContact O-NE 3.09Å; Y508-L520 WeakPolarHBondContact CD2-O 3.26Å; Y508-L520 HydrophobicContact CE2-CB 3.82Å; Y508-L520 WeakPolarHBondContact CE2-O 3.28Å; Y508-P522 HydrophobicContact CD2-CG 4.05Å; Y508-P522 HydrophobicContact CE2-CG 4.47Å; Y508-Y539 AromaticContact CD1-CE1 3.7Å; Y508-Y539 HydrophobicContact CD1-CE1 3.7Å; Y508-Y539 HydrophobicContact CE1-CD1 4.43Å; Y508-Y539 AromaticContact CE1-CE1 3.7Å; Y508-Y539 HydrophobicContact CE1-CE1 3.7Å |
| 509 | D | 84.9 | Confident | 83.8 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.2 | -44.6 | 171.4 | -70.5 | -10.1 | 0 | 0 | 0 | 110.8 | K505 A512 S513 R518 | K505-D509 WeakPolarHBondContact CE-OD2 3.43Å; K505-D509 VanDerWaalsContact CG-OD2 3.24Å; K505-D509 WeakPolarHBondContact CG-OD2 3.45Å; K505-D509 VanDerWaalsContact O-CB 3.3Å; K505-D509 WeakPolarHBondContact O-CB 3.1Å; K505-D509 VanDerWaalsContact O-CG 3.27Å; K505-D509 PolarHBondContact O-N 3.2Å; D509-A512 PolarHBondContact O-N 3.2Å; D509-S513 PolarHBondContact O-N 3.05Å; D509-R518 IonicContact OD1-CZ 3.39Å; D509-R518 IonicContact OD1-NE 3.56Å; D509-R518 PolarHBondContact OD1-NE 2.6Å; D509-R518 IonicContact OD1-NH1 3.69Å; D509-R518 IonicContact OD1-NH2 3.12Å; D509-R518 PolarHBondContact OD1-NH2 2.88Å |
| 510 | G | 83.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K506 A507 S513 I514 | K506-G510 PolarHBondContact O-N 3.1Å; A507-G510 PolarHBondContact O-N 3.35Å; G510-S513 PolarHBondContact O-OG 3.47Å; G510-I514 VanDerWaalsContact O-CG1 3.29Å; G510-I514 WeakPolarHBondContact O-CG1 3.24Å; G510-I514 PolarHBondContact O-N 3.5Å |
| 511 | F | 85.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -36.8 | 170.1 | -74.7 | -41.4 | 0 | 0 | 0 | 111.7 | F478 I481 L482 A507 I514 G515 I516 Y539 I543 F547 | F478-F511 HydrophobicContact CB-CE2 4.03Å; F478-F511 HydrophobicContact CD1-CE2 4.11Å; F478-F511 WeakPolarHBondContact O-CZ 3.39Å; I481-F511 HydrophobicContact CB-CZ 4.26Å; I481-F511 HydrophobicContact CG2-CE1 4.3Å; I481-F511 HydrophobicContact CG2-CZ 4.03Å; L482-F511 HydrophobicContact CB-CD1 4.43Å; L482-F511 HydrophobicContact CB-CE1 3.8Å; L482-F511 HydrophobicContact CB-CZ 3.95Å; L482-F511 HydrophobicContact CD1-CD1 3.83Å; L482-F511 HydrophobicContact CD1-CE1 3.96Å; L482-F511 HydrophobicContact CG-CE1 4.47Å; A507-F511 HydrophobicContact CB-CE2 4.44Å; A507-F511 WeakPolarHBondContact O-CB 3.24Å; A507-F511 WeakPolarHBondContact O-CD2 3.42Å; A507-F511 VanDerWaalsContact O-CG 3.31Å; A507-F511 WeakPolarHBondContact O-CG 3.44Å; A507-F511 PolarHBondContact O-N 3.16Å; F511-I514 PolarHBondContact O-N 3.01Å; F511-G515 PolarHBondContact O-N 3.28Å; F511-G515 VanDerWaalsContact O-N 3.14Å; F511-I516 HydrophobicContact CB-CB 4.17Å; F511-I516 HydrophobicContact CB-CD1 4.39Å; F511-I516 HydrophobicContact CD1-CD1 3.89Å; F511-I516 HydrophobicContact CG-CD1 4.39Å; F511-I516 WeakPolarHBondContact O-CB 3.3Å; F511-I516 PolarHBondContact O-N 2.94Å; F511-Y539 WeakPolarHBondContact CB-OH 3.49Å; F511-Y539 HydrophobicContact CD2-CE1 4.26Å; F511-Y539 WeakPolarHBondContact CD2-OH 3.39Å; F511-I543 HydrophobicContact CD2-CD1 4.02Å; F511-I543 HydrophobicContact CE1-CG2 4.24Å; F511-I543 HydrophobicContact CE2-CD1 3.69Å; F511-I543 HydrophobicContact CE2-CG1 4.48Å; F511-I543 HydrophobicContact CZ-CD1 4.02Å; F511-I543 HydrophobicContact CZ-CG2 4.32Å; F511-F547 HydrophobicContact CD1-CE2 4.3Å; F511-F547 HydrophobicContact CE1-CE2 4Å; F511-F547 HydrophobicContact CE1-CZ 4.46Å |
| 512 | A | 80.6 | Confident | 83.2 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y508 D509 I514 G515 R518 | Y508-A512 VanDerWaalsContact O-CB 3.24Å; Y508-A512 WeakPolarHBondContact O-CB 3.43Å; Y508-A512 PolarHBondContact O-N 3.48Å; D509-A512 PolarHBondContact O-N 3.2Å; A512-I514 VanDerWaalsContact C-N 3.3Å; A512-I514 PolarHBondContact O-N 3.43Å; A512-G515 PolarHBondContact O-N 3.05Å; A512-G515 VanDerWaalsContact O-N 3.1Å; A512-R518 HydrophobicContact CB-CG 4.14Å |
| 513 | S | 79.6 | Confident | 82.7 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 57% | 0.566 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.9 | -25.8 | 177.7 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | D509 G510 | D509-S513 PolarHBondContact O-N 3.05Å; G510-S513 PolarHBondContact O-OG 3.47Å |
| 514 | I | 75.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.4 | -31.1 | 169.8 | -71.1 | 172.2 | 0 | 0 | 0 | 112.2 | L482 R486 L489 G510 F511 A512 H546 F547 | L482-I514 HydrophobicContact CD1-CD1 3.34Å; R486-I514 HydrophobicContact CB-CD1 4.01Å; R486-I514 HydrophobicContact CG-CD1 3.54Å; R486-I514 HydrophobicContact CG-CG1 4.04Å; L489-I514 HydrophobicContact CD1-CD1 3.76Å; L489-I514 HydrophobicContact CD1-CG1 3.45Å; L489-I514 VanDerWaalsContact CD1-CG1 3.45Å; G510-I514 VanDerWaalsContact O-CG1 3.29Å; G510-I514 WeakPolarHBondContact O-CG1 3.24Å; G510-I514 PolarHBondContact O-N 3.5Å; F511-I514 PolarHBondContact O-N 3.01Å; A512-I514 VanDerWaalsContact C-N 3.3Å; A512-I514 PolarHBondContact O-N 3.43Å; I514-H546 WeakPolarHBondContact CG2-CE1 3.46Å; I514-F547 HydrophobicContact CD1-CE1 4.33Å; I514-F547 HydrophobicContact CD1-CZ 3.84Å; I514-F547 HydrophobicContact CG2-CE1 4.01Å; I514-F547 HydrophobicContact CG2-CZ 3.95Å |
| 515 | G | 67.3 | Low | 81.9 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.7 | 53.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F511 A512 H546 H1209 | F511-G515 PolarHBondContact O-N 3.28Å; F511-G515 VanDerWaalsContact O-N 3.14Å; A512-G515 PolarHBondContact O-N 3.05Å; A512-G515 VanDerWaalsContact O-N 3.1Å; G515-H546 PolarHBondContact O-CD2 3.34Å; G515-H1209 PolarHBondContact O-NE2 2.99Å |
| 516 | I | 78.2 | Confident | 81.4 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | trans | -138.9 | 106.8 | 174 | -53.4 | 171.2 | 0 | 0 | 0 | 108.4 | F511 R518 Y539 Q542 I543 H546 F547 | F511-I516 HydrophobicContact CB-CB 4.17Å; F511-I516 HydrophobicContact CB-CD1 4.39Å; F511-I516 HydrophobicContact CD1-CD1 3.89Å; F511-I516 HydrophobicContact CG-CD1 4.39Å; F511-I516 WeakPolarHBondContact O-CB 3.3Å; F511-I516 PolarHBondContact O-N 2.94Å; I516-R518 PolarHBondContact O-N 3.32Å; I516-Y539 HydrophobicContact CG2-CE2 3.95Å; I516-Q542 HydrophobicContact CG2-CG 4.11Å; I516-I543 HydrophobicContact CD1-CB 4.48Å; I516-I543 HydrophobicContact CD1-CG1 4.14Å; I516-I543 HydrophobicContact CD1-CG2 4.49Å; I516-I543 HydrophobicContact CG2-CG1 3.98Å; I516-H546 HydrophobicContact CD1-CB 4.04Å; I516-H546 HydrophobicContact CG1-CB 4.02Å; I516-F547 HydrophobicContact CD1-CD2 4.4Å; I516-F547 HydrophobicContact CD1-CE2 3.66Å; I516-F547 HydrophobicContact CD1-CZ 4.01Å | ||
| 517 | S | 74 | Confident | 80.7 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | trans | -54.1 | 134.2 | -176.6 | -35 | 0 | 0 | 0 | 0 | 111.8 | L519 Y539 | S517-L519 PolarHBondContact O-N 3.11Å; S517-Y539 WeakPolarHBondContact O-CE2 3.35Å | ||
| 518 | R | 78.2 | Confident | 79.8 | Confident | 145 Ų | 145 | 49.2 Ų | 49.2 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | trans | -71.5 | 101.8 | -177.6 | -58.5 | -175 | -169.5 | 131.8 | 4.8 | 110.7 | Y508 D509 A512 I516 | Y508-R518 PolarHBondContact O-NE 2.81Å; Y508-R518 VanDerWaalsContact O-NE 3.09Å; D509-R518 IonicContact OD1-CZ 3.39Å; D509-R518 IonicContact OD1-NE 3.56Å; D509-R518 PolarHBondContact OD1-NE 2.6Å; D509-R518 IonicContact OD1-NH1 3.69Å; D509-R518 IonicContact OD1-NH2 3.12Å; D509-R518 PolarHBondContact OD1-NH2 2.88Å; A512-R518 HydrophobicContact CB-CG 4.14Å; I516-R518 PolarHBondContact O-N 3.32Å | ||
| 519 | L | 78.9 | Confident | 78.7 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | trans | -85.5 | -11.2 | 174.8 | -168.4 | 64.2 | 0 | 0 | 0 | 113.2 | S517 T538 Y539 | S517-L519 PolarHBondContact O-N 3.11Å; L519-T538 HydrophobicContact CD2-CG2 3.52Å; L519-Y539 HydrophobicContact CB-CD2 3.66Å; L519-Y539 HydrophobicContact CB-CE2 4.39Å; L519-Y539 HydrophobicContact CB-CG 4.19Å | ||
| 520 | L | 82.5 | Confident | 78.3 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -131.8 | 140.2 | -177.5 | -80.3 | 161.6 | 0 | 0 | 0 | 109.4 | F478 Y508 D524 M525 T535 V536 Y539 | F478-L520 HydrophobicContact CZ-CD1 4.33Å; Y508-L520 WeakPolarHBondContact CD2-O 3.26Å; Y508-L520 HydrophobicContact CE2-CB 3.82Å; Y508-L520 WeakPolarHBondContact CE2-O 3.28Å; L520-D524 HydrophobicContact CD2-CB 4.28Å; L520-M525 HydrophobicContact CD1-CE 3.87Å; L520-M525 HydrophobicContact CD2-CE 3.87Å; L520-M525 HydrophobicContact CG-CE 4.4Å; L520-T535 HydrophobicContact CD2-CG2 3.55Å; L520-T535 HydrophobicContact CG-CG2 3.97Å; L520-V536 HydrophobicContact CD1-CG2 4.32Å; L520-Y539 HydrophobicContact CD1-CD1 3.86Å; L520-Y539 HydrophobicContact CD1-CG 4.21Å |
| 521 | E | 81.6 | Confident | 78.1 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | trans | -89.5 | 151.6 | 167.2 | -80.6 | -158.6 | -173.4 | 0 | 0 | 111.6 | S523 D524 | E521-S523 PolarHBondContact O-N 3.47Å; E521-S523 VanDerWaalsContact O-N 3.14Å; E521-S523 VanDerWaalsContact OE2-CB 3.28Å; E521-S523 WeakPolarHBondContact OE2-CB 3.43Å; E521-S523 PolarHBondContact OE2-OG 3.27Å; E521-D524 PolarHBondContact N-OD2 2.94Å; E521-D524 PolarHBondContact O-N 2.98Å; E521-D524 VanDerWaalsContact O-N 3.09Å | ||
| 522 | P | 84.6 | Confident | 78 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -23.6 | 166.8 | -21.1 | 34.4 | 0 | 0 | 0 | 112.4 | K501 N504 K505 Y508 V526 | K501-P522 HydrophobicContact CG-CB 4.18Å; K501-P522 WeakPolarHBondContact O-CB 3.39Å; N504-P522 HydrophobicContact CB-CB 4.23Å; K505-P522 HydrophobicContact CB-CB 4.25Å; K505-P522 HydrophobicContact CB-CG 3.76Å; K505-P522 HydrophobicContact CG-CG 4.4Å; Y508-P522 HydrophobicContact CD2-CG 4.05Å; Y508-P522 HydrophobicContact CE2-CG 4.47Å; P522-V526 WeakPolarHBondContact O-CG2 3.47Å |
| 523 | S | 79.9 | Confident | 78.2 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 172.1 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | E521 M525 V526 L527 | E521-S523 PolarHBondContact O-N 3.47Å; E521-S523 VanDerWaalsContact O-N 3.14Å; E521-S523 VanDerWaalsContact OE2-CB 3.28Å; E521-S523 WeakPolarHBondContact OE2-CB 3.43Å; E521-S523 PolarHBondContact OE2-OG 3.27Å; S523-M525 VanDerWaalsContact C-N 3.32Å; S523-M525 PolarHBondContact O-N 2.84Å; S523-V526 PolarHBondContact O-N 3.22Å; S523-L527 WeakPolarHBondContact O-CB 3.42Å; S523-L527 VanDerWaalsContact O-CG 3.31Å; S523-L527 WeakPolarHBondContact O-CG 3.31Å; S523-L527 PolarHBondContact O-N 2.78Å |
| 524 | D | 81.6 | Confident | 78.4 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | -173.6 | -57.7 | -35.7 | 0 | 0 | 0 | 112 | L520 E521 V526 L528 | L520-D524 HydrophobicContact CD2-CB 4.28Å; E521-D524 PolarHBondContact N-OD2 2.94Å; E521-D524 PolarHBondContact O-N 2.98Å; E521-D524 VanDerWaalsContact O-N 3.09Å; D524-V526 VanDerWaalsContact C-N 3.3Å; D524-V526 PolarHBondContact O-N 2.92Å; D524-L528 PolarHBondContact O-N 3.25Å |
| 525 | M | 81.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.1 | -24.7 | 178.3 | -62.9 | -65.9 | 146.3 | 0 | 0 | 112.8 | R473 I500 N504 L520 S523 P531 V536 | R473-M525 HydrophobicContact CG-CB 4.47Å; R473-M525 VanDerWaalsContact CG-O 3.23Å; R473-M525 WeakPolarHBondContact CG-O 3.47Å; R473-M525 PolarHBondContact NE-O 3.34Å; I500-M525 HydrophobicContact CG2-CB 4.33Å; N504-M525 HydrophobicContact CB-CG 4.46Å; L520-M525 HydrophobicContact CD1-CE 3.87Å; L520-M525 HydrophobicContact CD2-CE 3.87Å; L520-M525 HydrophobicContact CG-CE 4.4Å; S523-M525 VanDerWaalsContact C-N 3.32Å; S523-M525 PolarHBondContact O-N 2.84Å; M525-P531 HydrophobicContact CE-CB 3.63Å; M525-P531 HydrophobicContact CE-CG 4.28Å; M525-P531 HydrophobicContact SD-CB 3.53Å; M525-P531 VanDerWaalsContact SD-CB 3.53Å; M525-P531 HydrophobicContact SD-CG 3.73Å; M525-V536 HydrophobicContact CE-CG2 3.84Å |
| 526 | V | 81.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -85.5 | -53.6 | 177.4 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | R473 I500 K501 P522 S523 D524 L528 | R473-V526 PolarHBondContact NH2-O 2.62Å; I500-V526 HydrophobicContact CB-CG2 4.5Å; I500-V526 HydrophobicContact CG2-CG2 3.73Å; K501-V526 HydrophobicContact CB-CG2 3.78Å; K501-V526 HydrophobicContact CG-CG2 4.17Å; P522-V526 WeakPolarHBondContact O-CG2 3.47Å; S523-V526 PolarHBondContact O-N 3.22Å; D524-V526 VanDerWaalsContact C-N 3.3Å; D524-V526 PolarHBondContact O-N 2.92Å; V526-L528 PolarHBondContact O-N 3.47Å |
| 527 | L | 74.1 | Confident | 80.1 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | -172 | -68.5 | 169.7 | 0 | 0 | 0 | 112.8 | S523 | S523-L527 WeakPolarHBondContact O-CB 3.42Å; S523-L527 VanDerWaalsContact O-CG 3.31Å; S523-L527 WeakPolarHBondContact O-CG 3.31Å; S523-L527 PolarHBondContact O-N 2.78Å |
| 528 | L | 72.2 | Confident | 80.5 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | trans | -93.7 | 128.2 | 179.7 | -60.6 | -179.8 | 0 | 0 | 0 | 110.9 | R473 D524 V526 I530 | R473-L528 VanDerWaalsContact CZ-O 3.26Å; R473-L528 PolarHBondContact NE-O 3.31Å; R473-L528 PolarHBondContact NH2-O 3.09Å; D524-L528 PolarHBondContact O-N 3.25Å; V526-L528 PolarHBondContact O-N 3.47Å; L528-I530 PolarHBondContact O-N 2.94Å | ||
| 529 | A | 66.1 | Low | 80.9 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -61.8 | -28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R473 | R473-A529 PolarHBondContact NH1-O 3.37Å; R473-A529 VanDerWaalsContact NH1-O 3.16Å |
| 530 | I | 77.8 | Confident | 81.3 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 55% | 0.554 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -132.6 | 113.5 | 175.9 | -57.4 | 175.1 | 0 | 0 | 0 | 105.3 | T469 T470 L528 | T469-I530 HydrophobicContact CG2-CG2 4.14Å; T470-I530 HydrophobicContact CG2-CG1 4.13Å; T470-I530 HydrophobicContact CG2-CG2 4.28Å; L528-I530 PolarHBondContact O-N 2.94Å |
| 531 | P | 78.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | trans | -71.6 | 155.4 | 176.3 | 30.9 | -35 | 0 | 0 | 0 | 110.4 | T469 R473 M525 V536 | T469-P531 WeakPolarHBondContact CB-O 3.28Å; T469-P531 VanDerWaalsContact CG2-O 3.25Å; T469-P531 WeakPolarHBondContact CG2-O 3.42Å; T469-P531 VanDerWaalsContact O-CG 3.32Å; T469-P531 WeakPolarHBondContact O-CG 3.31Å; R473-P531 HydrophobicContact CB-CG 4.3Å; M525-P531 HydrophobicContact CE-CB 3.63Å; M525-P531 HydrophobicContact CE-CG 4.28Å; M525-P531 HydrophobicContact SD-CB 3.53Å; M525-P531 VanDerWaalsContact SD-CB 3.53Å; M525-P531 HydrophobicContact SD-CG 3.73Å; P531-V536 HydrophobicContact CB-CG2 4.24Å; P531-V536 HydrophobicContact CG-CG2 4.48Å | ||
| 532 | D | 82.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | trans | -68.3 | 137.2 | -171.8 | -178.1 | 64.3 | 0 | 0 | 0 | 113.9 | L534 T535 V536 | D532-L534 PolarHBondContact O-N 2.92Å; D532-L534 WeakPolarHBondContact OD2-CA 3.35Å; D532-L534 WeakPolarHBondContact OD2-CB 3.38Å; D532-L534 PolarHBondContact OD2-N 2.84Å; D532-T535 PolarHBondContact OD2-N 2.67Å; D532-T535 PolarHBondContact OD2-OG1 2.99Å; D532-V536 WeakPolarHBondContact O-CB 3.37Å; D532-V536 VanDerWaalsContact O-CG2 3.27Å; D532-V536 WeakPolarHBondContact O-CG2 3.16Å; D532-V536 PolarHBondContact O-N 2.83Å; D532-V536 VanDerWaalsContact O-N 3.12Å | ||
| 533 | K | 85.4 | Confident | 81.5 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -36.9 | -175.9 | -175.8 | -174.5 | 169.3 | -177.2 | 0 | 112.3 | F468 T469 M537 M1103 D1104 | F468-K533 HydrophobicContact CB-CG 4.35Å; T469-K533 HydrophobicContact CG2-CB 3.72Å; T469-K533 HydrophobicContact CG2-CG 4.34Å; K533-M537 VanDerWaalsContact O-CG 3.32Å; K533-M537 WeakPolarHBondContact O-CG 3.35Å; K533-M537 PolarHBondContact O-N 2.8Å; K533-M1103 HydrophobicContact CB-CE 4.4Å; K533-M1103 HydrophobicContact CD-CE 3.72Å; K533-M1103 HydrophobicContact CG-CE 3.66Å; K533-M1103 PolarHBondContact NZ-O 3.42Å; K533-D1104 IonicContact NZ-OD1 3.77Å; K533-D1104 PolarHBondContact NZ-OD1 2.81Å |
| 534 | L | 82.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -80.8 | -45.8 | -179.5 | 178.4 | 58.5 | 0 | 0 | 0 | 110.9 | D532 V536 M537 T538 E1096 L1099 M1103 W1119 | D532-L534 PolarHBondContact O-N 2.92Å; D532-L534 WeakPolarHBondContact OD2-CA 3.35Å; D532-L534 WeakPolarHBondContact OD2-CB 3.38Å; D532-L534 PolarHBondContact OD2-N 2.84Å; L534-V536 PolarHBondContact O-N 2.86Å; L534-M537 HydrophobicContact CD1-CE 4.42Å; L534-M537 PolarHBondContact O-N 2.83Å; L534-T538 WeakPolarHBondContact O-CB 3.27Å; L534-T538 PolarHBondContact O-N 2.76Å; L534-T538 PolarHBondContact O-OG1 3.03Å; L534-E1096 HydrophobicContact CD2-CG 3.52Å; L534-L1099 HydrophobicContact CD1-CD2 3.63Å; L534-L1099 HydrophobicContact CD1-CG 4.28Å; L534-L1099 HydrophobicContact CD2-CD2 4.33Å; L534-M1103 HydrophobicContact CB-CE 4.41Å; L534-M1103 HydrophobicContact CD1-SD 4.15Å; L534-W1119 HydrophobicContact CD2-CD2 4.48Å; L534-W1119 HydrophobicContact CD2-CH2 4.46Å; L534-W1119 HydrophobicContact CD2-CZ2 3.95Å |
| 535 | T | 83.6 | Confident | 81.5 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 179.4 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | L520 D532 T538 Y539 | L520-T535 HydrophobicContact CD2-CG2 3.55Å; L520-T535 HydrophobicContact CG-CG2 3.97Å; D532-T535 PolarHBondContact OD2-N 2.67Å; D532-T535 PolarHBondContact OD2-OG1 2.99Å; T535-T538 PolarHBondContact O-N 3.5Å; T535-Y539 PolarHBondContact O-N 3.33Å |
| 536 | V | 88.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | F468 W472 L520 M525 P531 D532 L534 L540 | F468-V536 HydrophobicContact CB-CG1 4.28Å; F468-V536 VanDerWaalsContact O-CB 3.32Å; F468-V536 WeakPolarHBondContact O-CB 3.37Å; F468-V536 WeakPolarHBondContact O-CG1 3.4Å; W472-V536 HydrophobicContact CB-CG1 4.21Å; W472-V536 HydrophobicContact CD2-CG1 4.26Å; W472-V536 HydrophobicContact CG-CG1 3.76Å; L520-V536 HydrophobicContact CD1-CG2 4.32Å; M525-V536 HydrophobicContact CE-CG2 3.84Å; P531-V536 HydrophobicContact CB-CG2 4.24Å; P531-V536 HydrophobicContact CG-CG2 4.48Å; D532-V536 WeakPolarHBondContact O-CB 3.37Å; D532-V536 VanDerWaalsContact O-CG2 3.27Å; D532-V536 WeakPolarHBondContact O-CG2 3.16Å; D532-V536 PolarHBondContact O-N 2.83Å; D532-V536 VanDerWaalsContact O-N 3.12Å; L534-V536 PolarHBondContact O-N 2.86Å; V536-L540 HydrophobicContact CG1-CD1 3.68Å; V536-L540 HydrophobicContact CG1-CG 4.49Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 WeakPolarHBondContact O-CD1 3.37Å; V536-L540 WeakPolarHBondContact O-CG 3.25Å; V536-L540 PolarHBondContact O-N 2.66Å |
| 537 | M | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 173.6 | -77.8 | -163.8 | -24.5 | 0 | 0 | 112.3 | L449 F468 K533 L534 Y539 L540 Y541 M1103 M1116 | L449-M537 HydrophobicContact CD2-CB 4.31Å; L449-M537 HydrophobicContact CD2-CG 4.28Å; F468-M537 HydrophobicContact CB-CG 3.78Å; F468-M537 HydrophobicContact CD1-CG 3.73Å; F468-M537 HydrophobicContact CD2-CG 3.51Å; F468-M537 HydrophobicContact CD2-SD 3.55Å; F468-M537 VanDerWaalsContact CD2-SD 3.55Å; F468-M537 HydrophobicContact CE1-CG 4.1Å; F468-M537 HydrophobicContact CE2-CG 3.9Å; F468-M537 HydrophobicContact CE2-SD 3.68Å; F468-M537 HydrophobicContact CG-CG 3.4Å; F468-M537 HydrophobicContact CG-SD 4.11Å; F468-M537 HydrophobicContact CZ-CG 4.16Å; F468-M537 HydrophobicContact CZ-SD 4.33Å; K533-M537 VanDerWaalsContact O-CG 3.32Å; K533-M537 WeakPolarHBondContact O-CG 3.35Å; K533-M537 PolarHBondContact O-N 2.8Å; L534-M537 HydrophobicContact CD1-CE 4.42Å; L534-M537 PolarHBondContact O-N 2.83Å; M537-Y539 VanDerWaalsContact C-N 3.33Å; M537-Y539 PolarHBondContact O-N 2.93Å; M537-L540 CarbonylContact O-C 3.59Å; M537-L540 PolarHBondContact O-N 3.47Å; M537-L540 VanDerWaalsContact O-N 3.13Å; M537-Y541 HydrophobicContact CB-CD2 4.33Å; M537-Y541 HydrophobicContact CB-CE2 4.13Å; M537-Y541 HydrophobicContact CE-CE2 4.39Å; M537-Y541 WeakPolarHBondContact O-CD2 3.34Å; M537-Y541 PolarHBondContact O-N 3.38Å; M537-M1103 HydrophobicContact CE-CE 3.39Å; M537-M1103 HydrophobicContact CE-CG 4.06Å; M537-M1103 HydrophobicContact CE-SD 3.45Å; M537-M1103 WeakPolarHBondContact CE-SD 3.43Å; M537-M1103 HydrophobicContact SD-CE 4.14Å; M537-M1116 HydrophobicContact CE-CE 4.43Å |
| 538 | T | 82.3 | Confident | 80.9 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | -177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | L519 L534 T535 Y541 Q542 F1120 | L519-T538 HydrophobicContact CD2-CG2 3.52Å; L534-T538 WeakPolarHBondContact O-CB 3.27Å; L534-T538 PolarHBondContact O-N 2.76Å; L534-T538 PolarHBondContact O-OG1 3.03Å; T535-T538 PolarHBondContact O-N 3.5Å; T538-Y541 PolarHBondContact O-N 2.95Å; T538-Q542 PolarHBondContact O-N 2.66Å; T538-F1120 HydrophobicContact CG2-CD1 4.24Å; T538-F1120 HydrophobicContact CG2-CE1 3.42Å; T538-F1120 VanDerWaalsContact CG2-CE1 3.42Å; T538-F1120 HydrophobicContact CG2-CZ 3.83Å |
| 539 | Y | 87.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.4 | -170.6 | -133.5 | 0 | 0 | 0 | 112.4 | F478 Y508 F511 I516 S517 L519 L520 T535 M537 Y541 Q542 I543 | F478-Y539 HydrophobicContact CD1-CD1 4.5Å; F478-Y539 HydrophobicContact CD1-CE1 4.44Å; F478-Y539 AromaticContact CE1-CD1 3.78Å; F478-Y539 HydrophobicContact CE1-CD1 3.78Å; F478-Y539 HydrophobicContact CE1-CE1 4.13Å; F478-Y539 HydrophobicContact CZ-CD1 4.22Å; Y508-Y539 AromaticContact CD1-CE1 3.7Å; Y508-Y539 HydrophobicContact CD1-CE1 3.7Å; Y508-Y539 HydrophobicContact CE1-CD1 4.43Å; Y508-Y539 AromaticContact CE1-CE1 3.7Å; Y508-Y539 HydrophobicContact CE1-CE1 3.7Å; F511-Y539 WeakPolarHBondContact CB-OH 3.49Å; F511-Y539 HydrophobicContact CD2-CE1 4.26Å; F511-Y539 WeakPolarHBondContact CD2-OH 3.39Å; I516-Y539 HydrophobicContact CG2-CE2 3.95Å; S517-Y539 WeakPolarHBondContact O-CE2 3.35Å; L519-Y539 HydrophobicContact CB-CD2 3.66Å; L519-Y539 HydrophobicContact CB-CE2 4.39Å; L519-Y539 HydrophobicContact CB-CG 4.19Å; L520-Y539 HydrophobicContact CD1-CD1 3.86Å; L520-Y539 HydrophobicContact CD1-CG 4.21Å; T535-Y539 PolarHBondContact O-N 3.33Å; M537-Y539 VanDerWaalsContact C-N 3.33Å; M537-Y539 PolarHBondContact O-N 2.93Å; Y539-Y541 VanDerWaalsContact C-N 3.34Å; Y539-Y541 PolarHBondContact O-N 2.88Å; Y539-Q542 WeakPolarHBondContact O-CB 3.28Å; Y539-Q542 PolarHBondContact O-N 3.21Å; Y539-I543 HydrophobicContact CD1-CD1 3.71Å; Y539-I543 HydrophobicContact CD2-CD1 4.41Å; Y539-I543 HydrophobicContact CE1-CD1 3.62Å; Y539-I543 HydrophobicContact CE2-CD1 4.31Å; Y539-I543 HydrophobicContact CE2-CG1 4.42Å; Y539-I543 HydrophobicContact CG-CD1 4.12Å; Y539-I543 WeakPolarHBondContact O-CG1 3.36Å; Y539-I543 PolarHBondContact O-N 3.4Å |
| 540 | L | 87.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -28.6 | 177.8 | -72.5 | 168.2 | 0 | 0 | 0 | 113.8 | L449 F468 W472 F478 I481 V536 M537 I543 R544 | L449-L540 HydrophobicContact CD1-CB 4.19Å; L449-L540 HydrophobicContact CD2-CB 3.9Å; L449-L540 HydrophobicContact CG-CB 4.43Å; F468-L540 HydrophobicContact CD1-CD1 3.76Å; F468-L540 HydrophobicContact CE1-CD1 3.96Å; W472-L540 HydrophobicContact CD2-CD1 3.93Å; W472-L540 HydrophobicContact CE3-CD1 4.18Å; W472-L540 HydrophobicContact CE3-CD2 4.11Å; W472-L540 HydrophobicContact CH2-CD1 3.67Å; W472-L540 HydrophobicContact CH2-CD2 3.47Å; W472-L540 VanDerWaalsContact CH2-CD2 3.47Å; W472-L540 HydrophobicContact CH2-CG 4.24Å; W472-L540 HydrophobicContact CZ2-CD1 3.38Å; W472-L540 HydrophobicContact CZ2-CD2 4.12Å; W472-L540 HydrophobicContact CZ2-CG 4.41Å; W472-L540 HydrophobicContact CZ3-CD1 4.08Å; W472-L540 HydrophobicContact CZ3-CD2 3.48Å; W472-L540 VanDerWaalsContact CZ3-CD2 3.48Å; W472-L540 HydrophobicContact CZ3-CG 4.39Å; F478-L540 HydrophobicContact CD1-CD2 4.16Å; F478-L540 HydrophobicContact CE1-CD2 3.75Å; F478-L540 HydrophobicContact CE1-CG 4.11Å; I481-L540 HydrophobicContact CD1-CD2 4.23Å; V536-L540 HydrophobicContact CG1-CD1 3.68Å; V536-L540 HydrophobicContact CG1-CG 4.49Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 WeakPolarHBondContact O-CD1 3.37Å; V536-L540 WeakPolarHBondContact O-CG 3.25Å; V536-L540 PolarHBondContact O-N 2.66Å; M537-L540 CarbonylContact O-C 3.59Å; M537-L540 PolarHBondContact O-N 3.47Å; M537-L540 VanDerWaalsContact O-N 3.13Å; L540-I543 HydrophobicContact CD2-CD1 4.2Å; L540-R544 VanDerWaalsContact O-CB 3.3Å; L540-R544 WeakPolarHBondContact O-CB 2.97Å; L540-R544 PolarHBondContact O-N 2.71Å |
| 541 | Y | 83.9 | Confident | 77.7 | Confident | 12 Ų | 12 | 30 Ų | 30 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 169.3 | -81 | -64.9 | 0 | 0 | 0 | 112 | A445 S446 L449 M537 T538 Y539 R544 A545 M1116 F1120 | A445-Y541 WeakPolarHBondContact CB-OH 3.36Å; A445-Y541 PolarHBondContact O-OH 3.2Å; S446-Y541 PolarHBondContact N-OH 3.22Å; L449-Y541 HydrophobicContact CB-CE1 3.87Å; L449-Y541 HydrophobicContact CD1-CD1 4.27Å; L449-Y541 HydrophobicContact CD1-CE1 4.34Å; L449-Y541 HydrophobicContact CD2-CD1 4.14Å; L449-Y541 HydrophobicContact CD2-CD2 3.79Å; L449-Y541 HydrophobicContact CD2-CE1 3.94Å; L449-Y541 HydrophobicContact CD2-CE2 3.55Å; L449-Y541 HydrophobicContact CD2-CG 4.05Å; L449-Y541 HydrophobicContact CG-CE1 4.27Å; M537-Y541 HydrophobicContact CB-CD2 4.33Å; M537-Y541 HydrophobicContact CB-CE2 4.13Å; M537-Y541 HydrophobicContact CE-CE2 4.39Å; M537-Y541 WeakPolarHBondContact O-CD2 3.34Å; M537-Y541 PolarHBondContact O-N 3.38Å; T538-Y541 PolarHBondContact O-N 2.95Å; Y539-Y541 VanDerWaalsContact C-N 3.34Å; Y539-Y541 PolarHBondContact O-N 2.88Å; Y541-R544 PolarHBondContact O-N 2.81Å; Y541-A545 WeakPolarHBondContact O-CB 3.26Å; Y541-A545 PolarHBondContact O-N 2.72Å; Y541-M1116 HydrophobicContact CD2-SD 3.7Å; Y541-M1116 HydrophobicContact CE1-SD 4.15Å; Y541-M1116 HydrophobicContact CE2-CE 3.76Å; Y541-M1116 HydrophobicContact CE2-SD 3.2Å; Y541-M1116 WeakPolarHBondContact CE2-SD 3.35Å; Y541-M1116 HydrophobicContact CG-SD 4.37Å; Y541-F1120 HydrophobicContact CD2-CZ 4.45Å; Y541-F1120 HydrophobicContact CG-CZ 4.43Å |
| 542 | Q | 81.1 | Confident | 75.7 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 28% | 0.276 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.6 | -167.6 | -175 | -3.4 | 0 | 0 | 110.7 | I516 T538 Y539 A545 H546 | I516-Q542 HydrophobicContact CG2-CG 4.11Å; T538-Q542 PolarHBondContact O-N 2.66Å; Y539-Q542 WeakPolarHBondContact O-CB 3.28Å; Y539-Q542 PolarHBondContact O-N 3.21Å; Q542-A545 PolarHBondContact O-N 2.73Å; Q542-H546 PolarHBondContact O-N 2.64Å; Q542-H546 VanDerWaalsContact O-N 3.09Å |
| 543 | I | 86.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 173.4 | -66.8 | 163.3 | 0 | 0 | 0 | 111.3 | W452 F478 I481 F511 I516 Y539 L540 A545 H546 F547 | W452-I543 HydrophobicContact CH2-CG2 4.21Å; F478-I543 HydrophobicContact CD1-CD1 4.32Å; F478-I543 HydrophobicContact CE1-CD1 4.38Å; I481-I543 HydrophobicContact CG2-CG2 3.86Å; F511-I543 HydrophobicContact CD2-CD1 4.02Å; F511-I543 HydrophobicContact CE1-CG2 4.24Å; F511-I543 HydrophobicContact CE2-CD1 3.69Å; F511-I543 HydrophobicContact CE2-CG1 4.48Å; F511-I543 HydrophobicContact CZ-CD1 4.02Å; F511-I543 HydrophobicContact CZ-CG2 4.32Å; I516-I543 HydrophobicContact CD1-CB 4.48Å; I516-I543 HydrophobicContact CD1-CG1 4.14Å; I516-I543 HydrophobicContact CD1-CG2 4.49Å; I516-I543 HydrophobicContact CG2-CG1 3.98Å; Y539-I543 HydrophobicContact CD1-CD1 3.71Å; Y539-I543 HydrophobicContact CD2-CD1 4.41Å; Y539-I543 HydrophobicContact CE1-CD1 3.62Å; Y539-I543 HydrophobicContact CE2-CD1 4.31Å; Y539-I543 HydrophobicContact CE2-CG1 4.42Å; Y539-I543 HydrophobicContact CG-CD1 4.12Å; Y539-I543 WeakPolarHBondContact O-CG1 3.36Å; Y539-I543 PolarHBondContact O-N 3.4Å; L540-I543 HydrophobicContact CD2-CD1 4.2Å; I543-A545 PolarHBondContact O-N 3.21Å; I543-H546 PolarHBondContact O-N 3.29Å; I543-F547 HydrophobicContact CG2-CD2 3.83Å; I543-F547 HydrophobicContact CG2-CE2 3.88Å; I543-F547 VanDerWaalsContact O-CD2 3.29Å; I543-F547 WeakPolarHBondContact O-CD2 3.25Å; I543-F547 PolarHBondContact O-N 3.23Å |
| 544 | R | 83.8 | Confident | 70.8 | Confident | 24 Ų | 24 | 35 Ų | 35 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 179.5 | -173.1 | 174.5 | 86.2 | 163.8 | 6.1 | 111.9 | S448 L449 W452 L540 Y541 S548 | S448-R544 PolarHBondContact OG-NH1 2.62Å; L449-R544 HydrophobicContact CD1-CB 4.12Å; W452-R544 HydrophobicContact CD2-CB 4.25Å; W452-R544 HydrophobicContact CD2-CG 3.65Å; W452-R544 HydrophobicContact CE3-CB 4Å; W452-R544 HydrophobicContact CE3-CG 3.92Å; W452-R544 HydrophobicContact CG-CG 4.12Å; W452-R544 HydrophobicContact CH2-CB 3.98Å; W452-R544 HydrophobicContact CH2-CG 4.24Å; W452-R544 HydrophobicContact CZ2-CB 4.18Å; W452-R544 HydrophobicContact CZ2-CG 3.96Å; W452-R544 HydrophobicContact CZ3-CB 3.87Å; W452-R544 HydrophobicContact CZ3-CG 4.2Å; L540-R544 VanDerWaalsContact O-CB 3.3Å; L540-R544 WeakPolarHBondContact O-CB 2.97Å; L540-R544 PolarHBondContact O-N 2.71Å; Y541-R544 PolarHBondContact O-N 2.81Å; R544-S548 WeakPolarHBondContact CG-OG 3.45Å; R544-S548 WeakPolarHBondContact O-CB 3.5Å; R544-S548 PolarHBondContact O-N 2.82Å; R544-S548 PolarHBondContact O-OG 3.32Å |
| 545 | A | 77.5 | Confident | 68.3 | Low | 24 Ų | 24 | 39.5 Ų | 39.5 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y541 Q542 I543 F547 G549 | Y541-A545 WeakPolarHBondContact O-CB 3.26Å; Y541-A545 PolarHBondContact O-N 2.72Å; Q542-A545 PolarHBondContact O-N 2.73Å; I543-A545 PolarHBondContact O-N 3.21Å; A545-F547 PolarHBondContact O-N 3.42Å; A545-G549 PolarHBondContact O-N 3.15Å |
| 546 | H | 74.8 | Confident | 65.9 | Low | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 178.3 | -177.4 | -88.2 | 0 | 0 | 0 | 112.5 | I514 G515 I516 Q542 I543 | I514-H546 WeakPolarHBondContact CG2-CE1 3.46Å; G515-H546 PolarHBondContact O-CD2 3.34Å; I516-H546 HydrophobicContact CD1-CB 4.04Å; I516-H546 HydrophobicContact CG1-CB 4.02Å; Q542-H546 PolarHBondContact O-N 2.64Å; Q542-H546 VanDerWaalsContact O-N 3.09Å; I543-H546 PolarHBondContact O-N 3.29Å |
| 547 | F | 77.8 | Confident | 63.4 | Low | 45 Ų | 45 | 50.5 Ų | 50.5 | 20% | 0.197 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -81.6 | -30.6 | -177 | -67.1 | -62.5 | 0 | 0 | 0 | 114.7 | F485 F511 I514 I516 I543 A545 | F485-F547 HydrophobicContact CB-CD1 3.6Å; F485-F547 HydrophobicContact CB-CE1 3.46Å; F485-F547 VanDerWaalsContact CB-CE1 3.46Å; F485-F547 HydrophobicContact CB-CE2 4.43Å; F485-F547 HydrophobicContact CB-CG 4.17Å; F485-F547 HydrophobicContact CB-CZ 3.92Å; F485-F547 HydrophobicContact CD1-CB 4.1Å; F485-F547 HydrophobicContact CD1-CD1 4.01Å; F485-F547 HydrophobicContact CD1-CG 4.1Å; F485-F547 HydrophobicContact CD2-CB 4.04Å; F485-F547 AromaticContact CD2-CD1 3.94Å; F485-F547 HydrophobicContact CD2-CD1 3.94Å; F485-F547 AromaticContact CD2-CD2 3.57Å; F485-F547 HydrophobicContact CD2-CD2 3.57Å; F485-F547 HydrophobicContact CD2-CE1 4.29Å; F485-F547 AromaticContact CD2-CE2 3.94Å; F485-F547 HydrophobicContact CD2-CE2 3.94Å; F485-F547 AromaticContact CD2-CG 3.57Å; F485-F547 HydrophobicContact CD2-CG 3.57Å; F485-F547 HydrophobicContact CD2-CZ 4.28Å; F485-F547 HydrophobicContact CE1-CB 3.99Å; F485-F547 HydrophobicContact CE1-CG 4.43Å; F485-F547 HydrophobicContact CE2-CB 3.93Å; F485-F547 AromaticContact CE2-CD2 3.95Å; F485-F547 HydrophobicContact CE2-CD2 3.95Å; F485-F547 AromaticContact CE2-CG 3.94Å; F485-F547 HydrophobicContact CE2-CG 3.94Å; F485-F547 HydrophobicContact CG-CB 4.14Å; F485-F547 AromaticContact CG-CD1 3.57Å; F485-F547 HydrophobicContact CG-CD1 3.57Å; F485-F547 HydrophobicContact CG-CD2 4.11Å; F485-F547 AromaticContact CG-CE1 3.94Å; F485-F547 HydrophobicContact CG-CE1 3.94Å; F485-F547 HydrophobicContact CG-CE2 4.42Å; F485-F547 AromaticContact CG-CG 3.67Å; F485-F547 HydrophobicContact CG-CG 3.67Å; F485-F547 HydrophobicContact CG-CZ 4.34Å; F485-F547 HydrophobicContact CZ-CB 3.91Å; F485-F547 HydrophobicContact CZ-CG 4.36Å; F511-F547 HydrophobicContact CD1-CE2 4.3Å; F511-F547 HydrophobicContact CE1-CE2 4Å; F511-F547 HydrophobicContact CE1-CZ 4.46Å; I514-F547 HydrophobicContact CD1-CE1 4.33Å; I514-F547 HydrophobicContact CD1-CZ 3.84Å; I514-F547 HydrophobicContact CG2-CE1 4.01Å; I514-F547 HydrophobicContact CG2-CZ 3.95Å; I516-F547 HydrophobicContact CD1-CD2 4.4Å; I516-F547 HydrophobicContact CD1-CE2 3.66Å; I516-F547 HydrophobicContact CD1-CZ 4.01Å; I543-F547 HydrophobicContact CG2-CD2 3.83Å; I543-F547 HydrophobicContact CG2-CE2 3.88Å; I543-F547 VanDerWaalsContact O-CD2 3.29Å; I543-F547 WeakPolarHBondContact O-CD2 3.25Å; I543-F547 PolarHBondContact O-N 3.23Å; A545-F547 PolarHBondContact O-N 3.42Å |
| 548 | S | 73.1 | Confident | 60.8 | Low | 33 Ų | 33 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -91.2 | -20.4 | -173.6 | -47.9 | 0 | 0 | 0 | 0 | 113.8 | W452 R544 Q550 | W452-S548 PolarHBondContact NE1-OG 3.42Å; R544-S548 WeakPolarHBondContact CG-OG 3.45Å; R544-S548 WeakPolarHBondContact O-CB 3.5Å; R544-S548 PolarHBondContact O-N 2.82Å; R544-S548 PolarHBondContact O-OG 3.32Å; S548-Q550 PolarHBondContact O-N 2.79Å |
| 549 | G | 55.3 | Low | 58.5 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | trans | 59.6 | 20.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113 | A545 | A545-G549 PolarHBondContact O-N 3.15Š| ||
| 550 | Q | 47.5 | Very low | 55.9 | Low | 120 Ų | 120 | 72.5 Ų | 72.5 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | trans | -101.3 | 84.8 | 168.3 | -75.6 | -172.7 | -30.3 | 0 | 0 | 107 | S548 | S548-Q550 PolarHBondContact O-N 2.79Š| ||
| 551 | E | 45.1 | Very low | 53.4 | Low | 80 Ų | 80 | 76.4 Ų | 76.4 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | trans | -60.7 | 142.3 | 162.2 | -74.8 | 161.6 | -157 | 0 | 0 | 108.5 | N553 N1217 | E551-N553 PolarHBondContact O-N 2.83Å; E551-N553 VanDerWaalsContact O-N 3.15Å; E551-N1217 WeakPolarHBondContact OE1-CB 3.02Å; E551-N1217 PolarHBondContact OE1-ND2 3.07Å | ||
| 552 | L | 38.3 | Very low | 51 | Low | 40 Ų | 40 | 79.8 Ų | 79.8 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | trans | -63.5 | 114.7 | 156.2 | -77.7 | 171.2 | 0 | 0 | 0 | 105 | V554 E1113 M1116 Q1117 F1120 | L552-V554 VanDerWaalsContact C-N 3.26Å; L552-V554 PolarHBondContact O-N 2.82Å; L552-E1113 HydrophobicContact CD2-CG 4.15Å; L552-M1116 HydrophobicContact CD1-SD 4.31Å; L552-Q1117 HydrophobicContact CB-CG 4.42Å; L552-Q1117 HydrophobicContact CD1-CG 4.49Å; L552-F1120 HydrophobicContact CD1-CD2 4.36Å; L552-F1120 HydrophobicContact CD1-CE2 4.13Å | ||
| 553 | N | 29.9 | Very low | 49 | Very low | 122 Ų | 122 | 84.9 Ų | 84.9 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | trans | -62.3 | 93.7 | 173.9 | -77.5 | -25 | 0 | 0 | 0 | 108.1 | E551 V555 Q1117 | E551-N553 PolarHBondContact O-N 2.83Å; E551-N553 VanDerWaalsContact O-N 3.15Å; N553-V555 HydrophobicContact CB-CG2 4.34Å; N553-V555 PolarHBondContact O-N 2.99Å; N553-Q1117 PolarHBondContact O-NE2 3.13Å | ||
| 554 | V | 33.6 | Very low | 46.4 | Very low | 71 Ų | 71 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | trans | -66 | 87.1 | 157.2 | -180 | 0 | 0 | 0 | 0 | 104.8 | L552 Q556 M1121 | L552-V554 VanDerWaalsContact C-N 3.26Å; L552-V554 PolarHBondContact O-N 2.82Å; V554-Q556 PolarHBondContact O-N 3.45Å; V554-Q556 VanDerWaalsContact O-N 3.1Å; V554-M1121 HydrophobicContact CG1-CG 4.32Å; V554-M1121 HydrophobicContact CG1-SD 3.88Å | ||
| 555 | V | 31.6 | Very low | 44 | Very low | 98 Ų | 98 | 93.9 Ų | 93.9 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | trans | -59.4 | 118.4 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 106.1 | N553 I557 | N553-V555 HydrophobicContact CB-CG2 4.34Å; N553-V555 PolarHBondContact O-N 2.99Å; V555-I557 HydrophobicContact CB-CG1 4.21Å; V555-I557 HydrophobicContact CG1-CG1 3.81Å; V555-I557 PolarHBondContact O-N 2.81Å | ||
| 556 | Q | 32.5 | Very low | 41.8 | Very low | 153 Ų | 153 | 101 Ų | 101 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | trans | -68.2 | 85.4 | 171.8 | -72.9 | -178.3 | -33.3 | 0 | 0 | 108.2 | V554 | V554-Q556 PolarHBondContact O-N 3.45Å; V554-Q556 VanDerWaalsContact O-N 3.1Å | ||
| 557 | I | 36.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 107.4 Ų | 107.4 | 67% | 0.672 | 56% | 0.557 | S | S | * | * | trans | -81.4 | 126.9 | 168.6 | -60.5 | 179.6 | 0 | 0 | 0 | 106.3 | V555 | V555-I557 HydrophobicContact CB-CG1 4.21Å; V555-I557 HydrophobicContact CG1-CG1 3.81Å; V555-I557 PolarHBondContact O-N 2.81Å | ||
| 558 | E | 30 | Very low | 37.2 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 72.2 | 132.4 | -176.1 | -64.9 | 165 | -147.6 | 0 | 0 | 116.7 | N560 | E558-N560 PolarHBondContact O-N 2.91Š|
| 559 | E | 34.2 | Very low | 35.1 | Very low | 187 Ų | 187 | 113.7 Ų | 113.7 | 87% | 0.874 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 0.6 | -168.1 | -64.5 | 177.9 | 102.7 | 0 | 0 | 114.5 | S562 | E559-S562 PolarHBondContact O-OG 2.99Š|
| 560 | N | 31.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -15.8 | -170.5 | -62.5 | -30.5 | 0 | 0 | 0 | 114.3 | E558 S562 | E558-N560 PolarHBondContact O-N 2.91Å; N560-S562 PolarHBondContact O-N 2.81Å |
| 561 | S | 36.2 | Very low | 33 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78.8 | -15.4 | -174.5 | -166.3 | 0 | 0 | 0 | 0 | 114.2 | K563 | S561-K563 VanDerWaalsContact C-N 3.27Å; S561-K563 PolarHBondContact O-N 3.28Å; S561-K563 VanDerWaalsContact O-N 3.11Å |
| 562 | S | 33.4 | Very low | 32.6 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -73.4 | -1.4 | -167.6 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | E559 N560 | E559-S562 PolarHBondContact O-OG 2.99Å; N560-S562 PolarHBondContact O-N 2.81Å |
| 563 | K | 38.8 | Very low | 32.5 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -87 | 0.8 | 177.3 | -78.1 | -175.8 | 174.9 | 178.5 | 0 | 114.6 | S561 T565 D574 | S561-K563 VanDerWaalsContact C-N 3.27Å; S561-K563 PolarHBondContact O-N 3.28Å; S561-K563 VanDerWaalsContact O-N 3.11Å; K563-T565 PolarHBondContact O-N 3.02Å; K563-D574 IonicContact NZ-OD2 3.32Å; K563-D574 PolarHBondContact NZ-OD2 2.89Å |
| 564 | S | 32.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -79.3 | 52.6 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 565 | T | 33.4 | Very low | 32.7 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 61% | 0.613 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -146.6 | 106.3 | 169.6 | -61.6 | 0 | 0 | 0 | 0 | 108 | K563 K567 | K563-T565 PolarHBondContact O-N 3.02Å; T565-K567 PolarHBondContact O-N 3.41Å; T565-K567 VanDerWaalsContact O-N 3.16Å |
| 566 | Y | 31.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | -78.6 | 104.2 | -177.1 | 66.1 | -82.4 | 0 | 0 | 0 | 110.2 | ||||
| 567 | K | 28.1 | Very low | 33.1 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | -120.2 | 132 | 154.8 | -59.9 | -62.9 | -178.7 | -162.6 | 0 | 107 | T565 G569 | T565-K567 PolarHBondContact O-N 3.41Å; T565-K567 VanDerWaalsContact O-N 3.16Å; K567-G569 PolarHBondContact O-N 2.82Å | ||
| 568 | V | 28.6 | Very low | 32.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -75 | 111.7 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 569 | G | 27.4 | Very low | 33.1 | Very low | 55 Ų | 55 | 136 Ų | 136 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | trans | 100.4 | 116.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | K567 | K567-G569 PolarHBondContact O-N 2.82Š| ||
| 570 | N | 24.4 | Very low | 33.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -165.9 | 131.9 | 135.1 | -96.5 | -21.3 | 0 | 0 | 0 | 107.8 | ||||
| 571 | Y | 35.1 | Very low | 33 | Very low | 212 Ų | 212 | 132.2 Ų | 132.2 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | -132.5 | 39 | -160.1 | 56.9 | -95.6 | 0 | 0 | 0 | 115.5 | ||||
| 572 | E | 36.6 | Very low | 33.4 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -118.7 | 5.9 | -171.7 | -62.8 | -164.4 | 154.4 | 0 | 0 | 117.1 | ||
| 573 | T | 37.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -126.8 | -19.6 | -173.6 | 52 | 0 | 0 | 0 | 0 | 118.3 | T575 | T573-T575 PolarHBondContact O-N 3.09Š|
| 574 | D | 29.3 | Very low | 33.7 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | -92.1 | 79.2 | -175.5 | -72.5 | -2.9 | 0 | 0 | 0 | 111.5 | K563 | K563-D574 IonicContact NZ-OD2 3.32Å; K563-D574 PolarHBondContact NZ-OD2 2.89Å | ||
| 575 | T | 36.6 | Very low | 34 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | -102.8 | 0.6 | 175.6 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | T573 | T573-T575 PolarHBondContact O-N 3.09Š| ||
| 576 | N | 43.9 | Very low | 34.4 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -130.4 | 71.7 | -175.3 | -71.6 | -56.4 | 0 | 0 | 0 | 112.2 | ||||
| 577 | S | 28.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -152.6 | 106.2 | 156.3 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 578 | S | 31.9 | Very low | 35.3 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -141.9 | 82.4 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | D580 | S578-D580 PolarHBondContact O-N 2.78Š| ||
| 579 | V | 34.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 75% | 0.745 | 69% | 0.691 | S | S | * | * | trans | -73 | 122.3 | 173.3 | 175.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 580 | D | 35.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | trans | -71.9 | 136.9 | -170 | -140.6 | -27.8 | 0 | 0 | 0 | 112.2 | S578 E582 K583 | S578-D580 PolarHBondContact O-N 2.78Å; D580-E582 VanDerWaalsContact C-N 3.27Å; D580-E582 PolarHBondContact O-N 2.71Å; D580-K583 PolarHBondContact O-N 3.12Å | ||
| 581 | Q | 30.2 | Very low | 36.6 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.5 | -27.8 | -162.8 | -172.6 | 168 | -1.7 | 0 | 0 | 112.7 | K583 Y585 | Q581-K583 VanDerWaalsContact C-N 3.33Å; Q581-K583 PolarHBondContact O-N 2.94Å; Q581-Y585 HydrophobicContact CG-CD2 4.48Å; Q581-Y585 HydrophobicContact CG-CE2 3.95Å; Q581-Y585 WeakPolarHBondContact O-CD2 3.31Å |
| 582 | E | 42.7 | Very low | 36.5 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.8 | -26.4 | 179.8 | -61 | -174.8 | 134.8 | 0 | 0 | 113 | D580 F584 Y585 A586 | D580-E582 VanDerWaalsContact C-N 3.27Å; D580-E582 PolarHBondContact O-N 2.71Å; E582-F584 VanDerWaalsContact C-N 3.29Å; E582-F584 PolarHBondContact O-N 3.06Å; E582-Y585 PolarHBondContact O-N 2.8Å; E582-A586 PolarHBondContact O-N 3.14Å; E582-A586 VanDerWaalsContact O-N 3.15Å |
| 583 | K | 41 | Very low | 36.1 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.2 | -33 | 179.1 | -118.6 | 178.4 | 177.9 | -64.7 | 0 | 112.6 | D580 Q581 E587 | D580-K583 PolarHBondContact O-N 3.12Å; Q581-K583 VanDerWaalsContact C-N 3.33Å; Q581-K583 PolarHBondContact O-N 2.94Å; K583-E587 PolarHBondContact O-N 3.26Å |
| 584 | F | 38.1 | Very low | 35.9 | Very low | 132 Ų | 132 | 136 Ų | 136 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73.2 | -33.6 | 178.2 | -171.6 | -104.6 | 0 | 0 | 0 | 112.6 | E582 L588 | E582-F584 VanDerWaalsContact C-N 3.29Å; E582-F584 PolarHBondContact O-N 3.06Å; F584-L588 HydrophobicContact CD1-CD1 4.09Å; F584-L588 HydrophobicContact CE1-CD1 3.81Å; F584-L588 HydrophobicContact CZ-CD1 4.44Å; F584-L588 PolarHBondContact O-N 3.46Å |
| 585 | Y | 38.4 | Very low | 36 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 54% | 0.541 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -77.4 | -27.3 | 176.7 | -69.5 | -65.2 | 0 | 0 | 0 | 113.4 | Q581 E582 L588 S589 | Q581-Y585 HydrophobicContact CG-CD2 4.48Å; Q581-Y585 HydrophobicContact CG-CE2 3.95Å; Q581-Y585 WeakPolarHBondContact O-CD2 3.31Å; E582-Y585 PolarHBondContact O-N 2.8Å; Y585-L588 HydrophobicContact CD1-CD1 4.42Å; Y585-S589 PolarHBondContact O-OG 3.09Å |
| 586 | A | 43.1 | Very low | 35.5 | Very low | 55 Ų | 55 | 139.5 Ų | 139.5 | 46% | 0.455 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -60.9 | -49.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E582 L588 S589 | E582-A586 PolarHBondContact O-N 3.14Å; E582-A586 VanDerWaalsContact O-N 3.15Å; A586-L588 VanDerWaalsContact C-N 3.29Å; A586-L588 PolarHBondContact O-N 2.91Å; A586-S589 VanDerWaalsContact O-CB 3.26Å; A586-S589 WeakPolarHBondContact O-CB 3.35Å; A586-S589 PolarHBondContact O-N 3.27Å |
| 587 | E | 41.1 | Very low | 34.8 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.673 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -65.1 | -29.3 | -176.4 | -166.6 | 163 | -155.3 | 0 | 0 | 113.4 | K583 S589 | K583-E587 PolarHBondContact O-N 3.26Å; E587-S589 VanDerWaalsContact C-N 3.28Å; E587-S589 PolarHBondContact O-N 3.4Å |
| 588 | L | 37.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 52% | 0.518 | 72% | 0.718 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -14.3 | 171.7 | -71.3 | 170.2 | 0 | 0 | 0 | 114.2 | F584 Y585 A586 | F584-L588 HydrophobicContact CD1-CD1 4.09Å; F584-L588 HydrophobicContact CE1-CD1 3.81Å; F584-L588 HydrophobicContact CZ-CD1 4.44Å; F584-L588 PolarHBondContact O-N 3.46Å; Y585-L588 HydrophobicContact CD1-CD1 4.42Å; A586-L588 VanDerWaalsContact C-N 3.29Å; A586-L588 PolarHBondContact O-N 2.91Å |
| 589 | S | 35.2 | Very low | 34.1 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -34.8 | -177.5 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | Y585 A586 E587 L591 | Y585-S589 PolarHBondContact O-OG 3.09Å; A586-S589 VanDerWaalsContact O-CB 3.26Å; A586-S589 WeakPolarHBondContact O-CB 3.35Å; A586-S589 PolarHBondContact O-N 3.27Å; E587-S589 VanDerWaalsContact C-N 3.28Å; E587-S589 PolarHBondContact O-N 3.4Å; S589-L591 VanDerWaalsContact C-N 3.27Å; S589-L591 PolarHBondContact O-N 2.98Å |
| 590 | D | 36.7 | Very low | 34 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -13 | -178.3 | -74.6 | -37.7 | 0 | 0 | 0 | 114 | K592 | D590-K592 PolarHBondContact O-N 3.18Š|
| 591 | L | 35.1 | Very low | 33.5 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 9.8 | 176.5 | -98.9 | 158.2 | 0 | 0 | 0 | 114.7 | S589 | S589-L591 VanDerWaalsContact C-N 3.27Å; S589-L591 PolarHBondContact O-N 2.98Å |
| 592 | K | 33.8 | Very low | 33.2 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -121.9 | 62.9 | 175.1 | -78.2 | -171.4 | 174.8 | 179 | 0 | 113.4 | D590 | D590-K592 PolarHBondContact O-N 3.18Š| ||
| 593 | R | 28.4 | Very low | 32.3 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -149.5 | 110.1 | 164.8 | -164.1 | 171 | -65.8 | 152.7 | 5.1 | 111.3 | ||||
| 594 | E | 31.9 | Very low | 31.7 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 145 | 167.9 | -73.7 | -168.1 | 134 | 0 | 0 | 111.1 | ||||
| 595 | P | 32.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -112.4 | 150 | 158.5 | 36 | -26.7 | 0 | 0 | 0 | 112.3 | ||||
| 596 | E | 24.8 | Very low | 30.6 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -80.3 | 170.8 | -175.2 | -62.8 | 179.4 | 113.4 | 0 | 0 | 114.7 | ||||
| 597 | L | 30.2 | Very low | 29.8 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -71.5 | 129.2 | -175.7 | -85.7 | 162.7 | 0 | 0 | 0 | 115 | ||||
| 598 | Q | 23.4 | Very low | 29.2 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -164.1 | 157.6 | 141.6 | -111.9 | 145.9 | 87.4 | 0 | 0 | 114.9 | ||||
| 599 | Q | 23.3 | Very low | 28.8 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -126.3 | 166.1 | 167.3 | -71.5 | -171.7 | -3.8 | 0 | 0 | 107.5 | ||||
| 600 | P | 32.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | cis | -133.3 | -164.8 | 11.4 | 42.5 | -24 | 0 | 0 | 0 | 115.2 | ||||
| 601 | I | 24.6 | Very low | 28.2 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 135.7 | -172.7 | -59.8 | 152.6 | 0 | 0 | 0 | 114.1 | ||||
| 602 | S | 23 | Very low | 27.9 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -171.6 | 158.6 | 143.5 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 603 | G | 25.3 | Very low | 27.9 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 98.4 | 137.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 604 | A | 26.9 | Very low | 27.8 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -117.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 605 | V | 28.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 69.7 | 119.5 | 160.2 | -65.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 606 | D | 26.2 | Very low | 27.5 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | 73.4 | 122.6 | 125.5 | -62.9 | -12.4 | 0 | 0 | 0 | 125.4 | |||||
| 607 | F | 26 | Very low | 27.7 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | 78.2 | 121.5 | 130 | -85.7 | -121.3 | 0 | 0 | 0 | 122.7 | ||||
| 608 | L | 28.3 | Very low | 27.5 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 65.7 | 159.5 | 146.1 | -54.7 | 174.2 | 0 | 0 | 0 | 118 | ||||
| 609 | S | 30.2 | Very low | 28 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | cis | -167.5 | 153.2 | -30.9 | -99.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 610 | Q | 30.7 | Very low | 28.2 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | 64.9 | 135.7 | 147.7 | -81.6 | -178.5 | -101.5 | 0 | 0 | 122.2 | ||||
| 611 | D | 27.6 | Very low | 28.1 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 67.8 | 146.4 | 133.9 | -56.1 | -1.7 | 0 | 0 | 0 | 121.2 | ||||
| 612 | D | 29.3 | Very low | 28.3 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | cis | -165.3 | 156.9 | -22.8 | -178.5 | 29 | 0 | 0 | 0 | 109.5 | ||||
| 613 | S | 32.6 | Very low | 28.5 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | trans | 67.8 | 139.4 | 153.3 | 72.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 614 | V | 27 | Very low | 28.8 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | 154.5 | 107.1 | 119.2 | 164.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 615 | F | 24.7 | Very low | 28.8 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | 61.2 | 162.3 | 141.9 | -77.6 | -123.8 | 0 | 0 | 0 | 121.6 | ||||
| 616 | V | 32.8 | Very low | 28.8 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 62% | 0.618 | 75% | 0.745 | S | S | * | * | cis | -170.3 | 152.2 | -40.2 | 93.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 617 | N | 29.3 | Very low | 28.9 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 60.8 | 173.7 | 162.6 | -72.4 | 18.1 | 0 | 0 | 0 | 119.1 | ||||
| 618 | D | 26.9 | Very low | 29 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | 176.6 | 172.1 | -36.8 | -174.5 | 22 | 0 | 0 | 0 | 107.2 | ||||
| 619 | S | 32.4 | Very low | 29 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 84.6 | 138.8 | 178.8 | -37.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 620 | G | 27.9 | Very low | 29.3 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | cis | 159.6 | 176.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 621 | V | 30 | Very low | 30.4 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | trans | 70 | 141.2 | 177.3 | -168.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 622 | G | 28.1 | Very low | 30.4 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 157.3 | 169.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 623 | E | 29.1 | Very low | 30.3 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 64.7 | 164 | 176.9 | -61.1 | 176.4 | -163.9 | 0 | 0 | 116.7 | ||||
| 624 | S | 31.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | -172.4 | 146.6 | -56.2 | -103.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 625 | E | 26 | Very low | 30.4 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | 63.1 | 159.2 | 157.1 | -63.8 | -175.9 | 139.4 | 0 | 0 | 120.1 | ||||
| 626 | S | 28.9 | Very low | 31 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -149.1 | 126.2 | -170.4 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 627 | E | 28.2 | Very low | 31.8 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 95% | 0.949 | 76% | 0.764 | S | S | * | * | trans | -129.2 | 171.9 | 173.1 | -78.2 | -157.6 | 119.1 | 0 | 0 | 112.7 | ||||
| 628 | R | 28.6 | Very low | 32 | Very low | 220 Ų | 220 | 133.2 Ų | 133.2 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -137 | 152.8 | -161.4 | -63.9 | 176.8 | 172.6 | -107.5 | 4.3 | 113.3 | ||||
| 629 | Q | 27.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 109.5 | 145 | -116.8 | 76.7 | 33.1 | 0 | 0 | 120.6 | ||||
| 630 | T | 36.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 65.1 | 167.9 | 131.7 | 49.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 631 | P | 53.3 | Low | 32.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -127.4 | -161.3 | -7.4 | 34.8 | -13.2 | 0 | 0 | 0 | 114.2 | ||||
| 632 | D | 27.6 | Very low | 33.6 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 66.4 | 122.5 | 161.6 | -51.9 | -24.4 | 0 | 0 | 0 | 118.3 | ||||
| 633 | D | 27.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | cis | -150.1 | -140 | -7.4 | -159.7 | 8.2 | 0 | 0 | 0 | 107.9 | ||||
| 634 | H | 30.7 | Very low | 33.6 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | cis | -151.5 | 171.6 | 5.7 | -162.7 | 54.9 | 0 | 0 | 0 | 113.6 | ||||
| 635 | L | 32.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | trans | -69.2 | 155.9 | -178.6 | -60.6 | -179.6 | 0 | 0 | 0 | 114.2 | ||||
| 636 | S | 35.8 | Very low | 34 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | 160 | -176.3 | -10.1 | -122 | 0 | 0 | 0 | 0 | 106 | ||||
| 637 | P | 50.6 | Low | 34 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | -136.7 | 177.3 | 20.2 | 42.2 | -22.8 | 0 | 0 | 0 | 117.6 | ||||
| 638 | S | 33.2 | Very low | 33.9 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -98.3 | -172.5 | 175.7 | -46.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 639 | T | 36.3 | Very low | 33.9 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | 169.1 | 178.4 | 89 | 46.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 640 | A | 30.8 | Very low | 34 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | cis | -155 | 151.3 | 14.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 641 | S | 35.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -98.6 | 160.4 | 140.3 | 171 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 642 | P | 48 | Very low | 32.9 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -152 | 168 | 127.9 | 37.5 | -21.3 | 0 | 0 | 0 | 116.6 | |||||
| 643 | Y | 27.6 | Very low | 34.3 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -130.7 | 161.6 | 144.9 | -147.6 | -98.8 | 0 | 0 | 0 | 110.5 | ||||
| 644 | C | 29.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 69% | 0.689 | 77% | 0.768 | S | S | * | * | trans | -87.4 | -178.9 | -160.8 | -46.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 645 | R | 33.9 | Very low | 34.6 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | cis | -168 | 174.3 | 19.7 | -151.8 | -177.8 | -147.5 | -120.6 | 8.6 | 111.8 | ||||
| 646 | R | 31.9 | Very low | 34.9 | Very low | 223 Ų | 223 | 141.8 Ų | 141.8 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | 81.4 | 140.7 | 170 | -58.2 | 174.1 | 179.5 | 101.5 | -5.8 | 113.8 | ||||
| 647 | T | 27.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | cis | -152.2 | 171.3 | -16.3 | 42.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 648 | K | 27.6 | Very low | 34.2 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -140.9 | 164.5 | 18.1 | -65.1 | 177.7 | 176.3 | -178.6 | 0 | 111.3 | ||||
| 649 | S | 27.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 50.1 | 76.1 | 150.1 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 650 | D | 29.5 | Very low | 34.6 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | 53.1 | 152.8 | 112.3 | -128 | -17.1 | 0 | 0 | 0 | 123.9 | |||||
| 651 | T | 35.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | 84.6 | 98.3 | 156.3 | -48 | 0 | 0 | 0 | 0 | 121 | ||||
| 652 | E | 30.9 | Very low | 34.9 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 85.5 | 159.9 | 139.1 | -75.8 | -156 | 145.2 | 0 | 0 | 123.9 | ||||
| 653 | P | 56.8 | Low | 34.1 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -125.5 | 178.1 | -142.4 | 45.6 | -35.6 | 0 | 0 | 0 | 116.9 | ||||
| 654 | Q | 32.2 | Very low | 34.4 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -177.2 | 164.7 | 132.7 | -104.5 | 177.2 | 26.3 | 0 | 0 | 119.1 | ||||
| 655 | K | 33.2 | Very low | 34.4 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -43.6 | 139.8 | 176.1 | -82.3 | 174.5 | 172.6 | 176 | 0 | 122.7 | ||||
| 656 | S | 37.9 | Very low | 34.1 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 35 | 144.2 | 126.5 | 73.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 657 | Q | 35.3 | Very low | 33.9 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | 171.2 | 144.6 | 114.6 | -97 | -173.6 | -9.8 | 0 | 0 | 117.8 | |||||
| 658 | Q | 37.2 | Very low | 33.8 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 177 | 140.7 | -65.4 | 179.7 | -0.7 | 0 | 0 | 122.8 | ||||
| 659 | S | 38.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | -179.1 | 171 | -51 | 84.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 660 | S | 38.3 | Very low | 34.6 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | cis | -170.1 | 156.5 | -8.1 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 661 | G | 32.9 | Very low | 34.7 | Very low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 161.1 | 131 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 662 | R | 39.6 | Very low | 34.1 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | 86.9 | 138.7 | 59.3 | -79 | -158.6 | 164.2 | -167 | -4.5 | 114 | |||||
| 663 | T | 33.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -169.8 | 152.4 | 1 | 12 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 664 | S | 33.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | 48.1 | 156 | 136.6 | -135 | 0 | 0 | 0 | 0 | 123 | ||||
| 665 | G | 28.3 | Very low | 33.4 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | cis | -167.2 | 162 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 666 | S | 29 | Very low | 33.6 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 69.5 | 134.6 | 86.2 | 127.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 667 | D | 26.6 | Very low | 33.6 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | cis | -154.7 | -175.3 | 1.8 | -78.7 | -47.2 | 0 | 0 | 0 | 113.9 | ||||
| 668 | D | 26.1 | Very low | 33.6 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -62.3 | -173.2 | -178.5 | -149.7 | 24.7 | 0 | 0 | 0 | 116.8 | ||||
| 669 | P | 46 | Very low | 33.4 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | cis | -134.2 | 168.2 | -19.7 | 13.8 | 12.7 | 0 | 0 | 0 | 118.6 | ||||
| 670 | G | 26.9 | Very low | 33.2 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 90.4 | 157.1 | 152 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 671 | I | 30 | Very low | 32.7 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | cis | -151.3 | 153.3 | 10.3 | -75.8 | -179.8 | 0 | 0 | 0 | 110.9 | ||||
| 672 | C | 24.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | 74.6 | 102.9 | 160.7 | -81.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 673 | S | 36.2 | Very low | 31.8 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | 76.9 | 117.8 | 116.8 | 72 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 674 | N | 31.4 | Very low | 31.5 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 103.2 | 113.3 | 133.5 | -65.1 | -10.9 | 0 | 0 | 0 | 122.7 | ||||
| 675 | T | 36.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 61 | 136.8 | 138.4 | 55 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 676 | D | 37.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -166.7 | 168.3 | -12.1 | -165.7 | 15.8 | 0 | 0 | 0 | 111.7 | ||||
| 677 | S | 38.7 | Very low | 31.8 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | 74.6 | 91.9 | 153.5 | -149.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 678 | T | 35 | Very low | 31.8 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 42 | 122.5 | 137.7 | 65.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 679 | Q | 33.9 | Very low | 31.9 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -154.7 | 176.5 | 135.1 | -146.3 | -168.7 | 2.5 | 0 | 0 | 110.9 | ||||
| 680 | A | 32.9 | Very low | 31 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 96 | 150.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 681 | Q | 27.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 168.1 | 177.6 | -55 | 158.4 | -59.7 | 0 | 0 | 110.6 | ||||
| 682 | V | 28.1 | Very low | 30.6 | Very low | 149 Ų | 149 | 147 Ų | 147 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | -161.3 | 160.2 | 137.7 | 123.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 683 | L | 27.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -95.4 | 146.8 | -175.7 | -136.2 | 77.1 | 0 | 0 | 0 | 112.9 | ||||
| 684 | L | 25.5 | Very low | 30.1 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 71.9 | 85.6 | 136.9 | -140.2 | 151.9 | 0 | 0 | 0 | 121.7 | ||||
| 685 | G | 27.5 | Very low | 29.9 | Very low | 67 Ų | 67 | 151.3 Ų | 151.3 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 81.3 | 170.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 686 | K | 33.8 | Very low | 29.4 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | cis | -174.2 | 135.2 | -26.1 | -122.6 | 169.7 | -176.9 | 173.9 | 0 | 111 | ||||
| 687 | K | 35.5 | Very low | 28.9 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 74.6 | 136.4 | 161.7 | -53.2 | 175.6 | 177.9 | -178.3 | 0 | 121.1 | ||||
| 688 | R | 28.1 | Very low | 28.4 | Very low | 238 Ų | 238 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | 175 | 173.8 | 117.8 | -87.3 | -179.2 | -150.6 | -136.6 | 8.4 | 107.4 | |||||
| 689 | L | 27 | Very low | 27.9 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | cis | -145.4 | 154.2 | 19.9 | -86.9 | 171.2 | 0 | 0 | 0 | 111.6 | ||||
| 690 | L | 28 | Very low | 27.5 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | -172.6 | 133.8 | 117.8 | -103.3 | 177.2 | 0 | 0 | 0 | 112.4 | |||||
| 691 | K | 24.9 | Very low | 27.2 | Very low | 197 Ų | 197 | 157.5 Ų | 157.5 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 145.8 | 169.3 | -70.9 | -170 | 172 | -173.4 | 0 | 120.6 | ||||
| 692 | A | 23.5 | Very low | 27.2 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 133.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 693 | E | 23.2 | Very low | 27.3 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | cis | 73.1 | 129.1 | 37.9 | -61.4 | -175.9 | 125.3 | 0 | 0 | 112.8 | ||||
| 694 | T | 27.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | -153.9 | -165.5 | -1.6 | -94 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 695 | L | 27 | Very low | 28 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -41.7 | 168.7 | 158.3 | -57 | 162.2 | 0 | 0 | 0 | 112.2 | ||||
| 696 | E | 26 | Very low | 28.2 | Very low | 178 Ų | 178 | 156 Ų | 156 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | cis | -163.7 | -174.5 | 35.7 | -158.9 | 154.6 | -145.8 | 0 | 0 | 112.7 | ||||
| 697 | L | 26.5 | Very low | 27.9 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -80.8 | 171 | 161.2 | -89.2 | 98.4 | 0 | 0 | 0 | 111.6 | ||||
| 698 | S | 27.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 96.1 | 137.9 | 149.5 | -63.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 699 | D | 25.5 | Very low | 27.3 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 68.3 | 101.3 | 140.5 | -57.1 | -16.4 | 0 | 0 | 0 | 123.2 | ||||
| 700 | L | 26.5 | Very low | 27.5 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 68.4 | 122.8 | 116 | -70.1 | 166.5 | 0 | 0 | 0 | 122.4 | |||||
| 701 | Y | 25.9 | Very low | 28.6 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 77.3 | 107.5 | 137.9 | -121.6 | -111.9 | 0 | 0 | 0 | 120.7 | ||||
| 702 | V | 27.1 | Very low | 30 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | 170.2 | 151.4 | 113.2 | 158 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 703 | S | 30.8 | Very low | 30 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -65.1 | 176.9 | -175.6 | -40 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 704 | D | 33.8 | Very low | 30 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | cis | -165.7 | 154.6 | 24.4 | -153.5 | -8.2 | 0 | 0 | 0 | 115.1 | ||||
| 705 | K | 33.3 | Very low | 29.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 50.4 | 140.5 | 161.3 | -77.1 | 141 | -162 | 154 | 0 | 121.3 | ||||
| 706 | K | 31.3 | Very low | 29.6 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 70% | 0.704 | 75% | 0.749 | S | S | * | * | cis | -158 | -155.5 | -19.2 | -137.1 | -160 | 179.9 | -158.9 | 0 | 106.3 | D708 | K706-D708 WeakPolarHBondContact CE-OD1 3.43Å; K706-D708 IonicContact NZ-OD1 2.72Å; K706-D708 PolarHBondContact NZ-OD1 3.28Å; K706-D708 IonicContact NZ-OD2 3.15Å; K706-D708 PolarHBondContact NZ-OD2 3.44Å | ||
| 707 | K | 27.5 | Very low | 29.5 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | cis | -149.1 | 128.6 | 13 | -176.9 | -89.4 | 173.7 | -164.6 | 0 | 111.3 | ||||
| 708 | D | 24.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | trans | 21 | 151.3 | 154.3 | -37.8 | -35.3 | 0 | 0 | 0 | 125 | K706 | K706-D708 WeakPolarHBondContact CE-OD1 3.43Å; K706-D708 IonicContact NZ-OD1 2.72Å; K706-D708 PolarHBondContact NZ-OD1 3.28Å; K706-D708 IonicContact NZ-OD2 3.15Å; K706-D708 PolarHBondContact NZ-OD2 3.44Å | ||
| 709 | M | 27.1 | Very low | 29.4 | Very low | 176 Ų | 176 | 143 Ų | 143 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -107.9 | -178.1 | -176 | -113.1 | -80.3 | -160.2 | 0 | 0 | 113.4 | ||||
| 710 | S | 30 | Very low | 29.5 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -72.5 | -161.6 | 170.1 | -34.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 711 | P | 53 | Low | 29.4 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | cis | -130.8 | -110.6 | -5.9 | 25.4 | 2.3 | 0 | 0 | 0 | 118.5 | ||||
| 712 | P | 52.6 | Low | 29.5 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | -136.7 | -179.4 | -110.8 | 43.1 | -25 | 0 | 0 | 0 | 121.2 | |||||
| 713 | F | 24.4 | Very low | 29.4 | Very low | 193 Ų | 193 | 139 Ų | 139 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | 82.7 | 142.5 | 154.2 | -78.8 | -63.2 | 0 | 0 | 0 | 122.4 | ||||
| 714 | I | 23.6 | Very low | 29 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 72% | 0.72 | S | S | * | * | trans | 76.7 | 139.4 | 159.8 | -70.1 | 165.6 | 0 | 0 | 0 | 116.8 | ||||
| 715 | C | 21.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | cis | -165.3 | 180 | -13.6 | -108.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 716 | E | 22.6 | Very low | 27.8 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | 67 | -171.4 | 164.9 | -71.7 | -167.5 | 172.1 | 0 | 0 | 120 | ||||
| 717 | E | 25 | Very low | 27.3 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -131.6 | 160.4 | -130.2 | -175.7 | 174 | -155.7 | 0 | 0 | 115.6 | ||||
| 718 | T | 25.9 | Very low | 27.1 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | 66.1 | 151.4 | 171.8 | 34.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 719 | D | 26.5 | Very low | 27 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -157.2 | 176.9 | -0.8 | -137.8 | -26.5 | 0 | 0 | 0 | 113.6 | ||||
| 720 | E | 26.3 | Very low | 26.9 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 60% | 0.603 | 74% | 0.735 | S | S | * | * | trans | 56.8 | 119.1 | 156.4 | -68.8 | -68.6 | 85.9 | 0 | 0 | 121.4 | ||||
| 721 | Q | 25.4 | Very low | 26.6 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 56% | 0.561 | 74% | 0.737 | S | S | * | * | 63.8 | 142.8 | 90 | -67.2 | -163.8 | 60.6 | 0 | 0 | 116.8 | |||||
| 722 | K | 26.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | cis | -169.9 | 154.1 | 7.9 | -126.1 | -177.7 | -179.8 | 133.6 | 0 | 112.8 | ||||
| 723 | L | 25 | Very low | 24 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 166.6 | 153.3 | -59.5 | 172.6 | 0 | 0 | 0 | 118.6 | ||||
| 724 | Q | 22 | Very low | 24 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | cis | -149.6 | 172 | 9 | -148.4 | 160.7 | 3.2 | 0 | 0 | 114.4 | ||||
| 725 | T | 21.5 | Very low | 24 | Very low | 109 Ų | 109 | 138 Ų | 138 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | -54.6 | 157.7 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 726 | L | 21.2 | Very low | 24.1 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | -169.1 | 146.1 | 70.5 | -108.5 | 106.3 | 0 | 0 | 0 | 115.4 | |||||
| 727 | D | 21.2 | Very low | 24.1 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | trans | 43.7 | 167.1 | 138.6 | -66.1 | -2.5 | 0 | 0 | 0 | 127 | ||||
| 728 | I | 23.7 | Very low | 23.9 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | 105.8 | 72.3 | 156.9 | -47.5 | -172.8 | 0 | 0 | 0 | 119.2 | ||||
| 729 | S | 22.1 | Very low | 23.7 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | 38.4 | 129.4 | 127.5 | 70.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 730 | S | 25.5 | Very low | 23.4 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -151.2 | 135.8 | 133.8 | 56.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 731 | N | 23.1 | Very low | 23.2 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | cis | 69.5 | 130.4 | 17.3 | -80.3 | -30.8 | 0 | 0 | 0 | 115.1 | ||||
| 732 | L | 26.5 | Very low | 22.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | cis | -160.5 | 174.6 | 8.6 | -170.8 | 65.4 | 0 | 0 | 0 | 111.9 | ||||
| 733 | E | 24.4 | Very low | 22.6 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | trans | 100.3 | 141 | 153.7 | -55.4 | -151 | 159.3 | 0 | 0 | 118 | ||||
| 734 | K | 25.3 | Very low | 22.3 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 68% | 0.683 | 71% | 0.714 | S | S | * | * | cis | -167.6 | 163.7 | -12.7 | -99.4 | 178.2 | -173.5 | 138.2 | 0 | 106 | ||||
| 735 | E | 22.2 | Very low | 22.2 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | cis | -147.1 | 156.7 | -10.1 | -117.2 | -157.8 | 166.8 | 0 | 0 | 106.1 | ||||
| 736 | K | 23.4 | Very low | 22.1 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | 58.3 | 137.6 | 97.8 | -136.7 | -180 | 174.4 | -179.4 | 0 | 114.3 | |||||
| 737 | L | 22.5 | Very low | 22.1 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | cis | -147.5 | 155.7 | 36.5 | -116.4 | 97.8 | 0 | 0 | 0 | 111.4 | ||||
| 738 | E | 21.3 | Very low | 22.3 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | trans | 41.9 | 155.9 | 138.3 | -69.2 | -177.4 | -155.2 | 0 | 0 | 123 | ||||
| 739 | N | 21.6 | Very low | 22.5 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | cis | -152.4 | -179 | 4 | -137.2 | -39.5 | 0 | 0 | 0 | 114.5 | ||||
| 740 | S | 21.3 | Very low | 22.6 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -37.7 | 133 | 178.2 | 60.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 741 | R | 20.9 | Very low | 22.6 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | 59.3 | 138.8 | 109.1 | -143.7 | -172.4 | -164.1 | 174.1 | 5.2 | 121.6 | |||||
| 742 | S | 19.3 | Very low | 23.6 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | trans | 102.6 | 133.6 | 136.9 | 79.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 743 | L | 21.2 | Very low | 23.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | 57.1 | 162.8 | 150.2 | -85.1 | 76.2 | 0 | 0 | 0 | 118.9 | ||||
| 744 | E | 19.5 | Very low | 23.6 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | cis | -166.6 | 161.2 | -29.2 | -170.7 | 178.5 | 175.9 | 0 | 0 | 108.4 | ||||
| 745 | C | 18.7 | Very low | 23.7 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 136.3 | 152.6 | -112 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 746 | R | 19.7 | Very low | 23.8 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | 52.8 | 148.8 | 134 | -76.8 | -178.2 | 172.8 | -162.7 | -2.9 | 121.1 | ||||
| 747 | S | 20.6 | Very low | 23.9 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -165.8 | 169.7 | -3.7 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 748 | D | 24.8 | Very low | 24 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -56.1 | 164.2 | 156.5 | -55.8 | -83.3 | 0 | 0 | 0 | 112.1 | ||||
| 749 | P | 29.6 | Very low | 24.3 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -143.1 | 135.8 | 92 | 36 | -20.4 | 0 | 0 | 0 | 116.6 | |||||
| 750 | E | 22.5 | Very low | 25.5 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 15.5 | 127.4 | 122.1 | -92.3 | -164.9 | 117.5 | 0 | 0 | 117.9 | |||||
| 751 | S | 26.7 | Very low | 25.6 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | 145.2 | -159.5 | 61 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 752 | P | 43.8 | Very low | 25.9 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | -138.7 | -173.1 | -63.2 | 33.3 | -11.9 | 0 | 0 | 0 | 116.7 | |||||
| 753 | I | 26.1 | Very low | 26.2 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 63.4 | 158.7 | 156.9 | 33.3 | 168.2 | 0 | 0 | 0 | 119.8 | ||||
| 754 | K | 24.9 | Very low | 26.5 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -134.9 | 163.5 | 19.8 | -75.1 | -176.1 | 178.7 | 171.9 | 0 | 115.4 | ||||
| 755 | K | 28.1 | Very low | 26.7 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -94 | 158 | 165.7 | -45.8 | 169.8 | -177.3 | 177.8 | 0 | 111 | ||||
| 756 | T | 22.9 | Very low | 27.1 | Very low | 147 Ų | 147 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -150.7 | 152.6 | 142.7 | -27.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 757 | S | 25.4 | Very low | 27.3 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -127 | 158.1 | 169.1 | 55 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 758 | L | 25.9 | Very low | 27.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | 173.5 | 154.2 | 141.6 | -97 | 162.2 | 0 | 0 | 0 | 112.9 | ||||
| 759 | S | 28 | Very low | 27.6 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -109.8 | -169.5 | 162.6 | 62 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 760 | P | 45.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | cis | -146.2 | -154.5 | 13.2 | 37.8 | -12.1 | 0 | 0 | 0 | 115.5 | ||||
| 761 | T | 23.5 | Very low | 28 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 101.3 | 114.4 | 157.3 | 72.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 762 | S | 27.7 | Very low | 28.2 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -174.3 | 163 | 122.5 | 44.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 763 | K | 25.8 | Very low | 27.5 | Very low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -156.9 | 124.5 | -168.8 | -173.3 | -178.6 | -176.1 | -179.1 | 0 | 112.3 | ||||
| 764 | L | 26.6 | Very low | 27.9 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -160.6 | 145 | 171.8 | -140.8 | 71 | 0 | 0 | 0 | 109.3 | ||||
| 765 | G | 24.3 | Very low | 27.9 | Very low | 54 Ų | 54 | 142.7 Ų | 142.7 | 56% | 0.557 | 77% | 0.773 | S | S | * | * | cis | 163.9 | 125 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 766 | Y | 25.6 | Very low | 28 | Very low | 237 Ų | 237 | 142 Ų | 142 | 93% | 0.929 | 77% | 0.77 | S | S | * | * | trans | 69.3 | 162.1 | 175.9 | -49.9 | -75 | 0 | 0 | 0 | 117.3 | ||||
| 767 | S | 24 | Very low | 28.4 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -169.9 | 172.7 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 768 | Y | 25.8 | Very low | 28.6 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -121.8 | 122.6 | 164.4 | -104.9 | -101.3 | 0 | 0 | 0 | 107.5 | ||||
| 769 | S | 27.3 | Very low | 28.7 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | 71.2 | 128.6 | 51.7 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 770 | R | 30.9 | Very low | 28.8 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | cis | -158.9 | 138.9 | 14.4 | -173.4 | 173.2 | -73.9 | 136.8 | 0.9 | 114.9 | ||||
| 771 | D | 28.1 | Very low | 27.8 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 38 | 139.7 | 146.3 | -45.8 | -19.3 | 0 | 0 | 0 | 127 | ||||
| 772 | L | 31.7 | Very low | 28.1 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 78.8 | 131.4 | 136.3 | -101.5 | 81 | 0 | 0 | 0 | 125.6 | ||||
| 773 | D | 29.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 84.7 | 123.9 | 137.1 | -93.4 | -3.1 | 0 | 0 | 0 | 127.1 | ||||
| 774 | L | 33 | Very low | 28.4 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 47.1 | 108.3 | 134.6 | -70.4 | 167.5 | 0 | 0 | 0 | 124.1 | ||||
| 775 | A | 26.2 | Very low | 28.7 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | 90.4 | 137.9 | 116 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 776 | K | 30.3 | Very low | 29 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | trans | 73.7 | 125.2 | 150.4 | -64.2 | 154.8 | -178 | 167.4 | 0 | 122 | ||||
| 777 | K | 30.2 | Very low | 29.2 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | trans | 64.9 | 160.7 | 139.1 | -68.7 | -178.9 | 177.1 | 179.9 | 0 | 118 | ||||
| 778 | K | 31 | Very low | 29.5 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | -167.8 | 151.1 | -23.7 | -114.4 | -175.3 | 163.4 | -140.4 | 0 | 110.7 | ||||
| 779 | H | 27.7 | Very low | 31 | Very low | 154 Ų | 154 | 138 Ų | 138 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | 57.4 | 118.2 | 146.6 | -65.4 | -41.7 | 0 | 0 | 0 | 125.6 | ||||
| 780 | A | 28.4 | Very low | 31.2 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | 76.5 | 159.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 781 | S | 26.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 80.4 | 152.3 | 172.9 | -60.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 782 | L | 29.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | cis | -159.5 | -178.9 | -15.5 | -136 | 59.5 | 0 | 0 | 0 | 107.2 | ||||
| 783 | R | 27.6 | Very low | 31.6 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | cis | -142.1 | -169.5 | 7.8 | -119.5 | -139.3 | 152.6 | -166.8 | 2.3 | 107.9 | T785 | R783-T785 PolarHBondContact NH1-OG1 2.9Š| ||
| 784 | Q | 31.5 | Very low | 31.5 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | 76.6 | 145 | 24.4 | -80.4 | 179.8 | -20.2 | 0 | 0 | 116.9 | ||||
| 785 | T | 33.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 55% | 0.552 | 74% | 0.739 | S | S | * | * | cis | -158.9 | -179.5 | 14.2 | 5.3 | 0 | 0 | 0 | 0 | 113.6 | R783 | R783-T785 PolarHBondContact NH1-OG1 2.9Š| ||
| 786 | E | 29.4 | Very low | 31.6 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 98.6 | 147.4 | 154.9 | -58.7 | -144.5 | -136.3 | 0 | 0 | 118.1 | ||||
| 787 | S | 31.2 | Very low | 31.6 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -162.3 | -178 | -14.8 | -95.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 788 | D | 29.7 | Very low | 31.7 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -147.3 | 164.1 | -163.2 | -175.8 | 45.5 | 0 | 0 | 0 | 113.4 | ||||
| 789 | P | 56.1 | Low | 31.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -155.3 | 138.9 | 134.6 | 36.5 | -16.9 | 0 | 0 | 0 | 120.4 | ||||
| 790 | D | 31.9 | Very low | 32.2 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 49.6 | 145.5 | 139.9 | -86.9 | -25 | 0 | 0 | 0 | 123.6 | ||||
| 791 | A | 36.9 | Very low | 32.6 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | cis | -166.3 | -174.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 792 | D | 29.1 | Very low | 33 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | cis | -144.1 | -80.5 | -3 | 173.8 | 40.6 | 0 | 0 | 0 | 110.9 | ||||
| 793 | R | 33.3 | Very low | 33.6 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | trans | -149.8 | 139.6 | -158.7 | -87.8 | 168.4 | 161.6 | 144.3 | -11.4 | 119.3 | ||||
| 794 | T | 28.5 | Very low | 34.5 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | -157.3 | 166.8 | 107.4 | 1.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 795 | T | 33.7 | Very low | 35 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | trans | -122.6 | 170.7 | -165.2 | 51.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 796 | L | 27.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 130 Ų | 130 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | trans | 88.1 | 127.7 | 172.7 | -150.5 | 73 | 0 | 0 | 0 | 113.1 | ||||
| 797 | N | 29.6 | Very low | 36.3 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | cis | -123.1 | 159 | 7 | -96.4 | -53.9 | 0 | 0 | 0 | 112.7 | ||||
| 798 | H | 33.3 | Very low | 37.2 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | trans | -135 | 112.1 | 176.8 | -119.2 | 0.9 | 0 | 0 | 0 | 111.7 | ||||
| 799 | A | 33.9 | Very low | 38.1 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -156 | 102.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 800 | D | 34.1 | Very low | 37.8 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 168.5 | -26.4 | 150.3 | -99.7 | -18.2 | 0 | 0 | 0 | 113.6 | S802 | D800-S802 PolarHBondContact O-N 2.77Š|
| 801 | H | 37.3 | Very low | 38.8 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.676 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -14.3 | -169.1 | -71.4 | -83.1 | 0 | 0 | 0 | 115.9 | ||
| 802 | S | 35.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65.5 | -41.3 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | D800 K804 I805 V806 | D800-S802 PolarHBondContact O-N 2.77Å; S802-K804 VanDerWaalsContact C-N 3.34Å; S802-K804 PolarHBondContact O-N 3.2Å; S802-I805 PolarHBondContact O-N 3.02Å; S802-V806 PolarHBondContact O-N 3.16Å |
| 803 | S | 41.1 | Very low | 41.8 | Very low | 67 Ų | 67 | 130 Ų | 130 | 47% | 0.469 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -57.4 | -42.6 | -169.2 | -49 | 0 | 0 | 0 | 0 | 113.3 | Q807 | S803-Q807 WeakPolarHBondContact O-CB 3.5Å; S803-Q807 WeakPolarHBondContact O-CG 3.4Å; S803-Q807 PolarHBondContact O-N 2.95Å |
| 804 | K | 46.4 | Very low | 43.3 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.8 | -38.2 | -173.8 | -65.4 | -179.7 | 179.9 | 176.3 | 0 | 112.5 | S802 H808 | S802-K804 VanDerWaalsContact C-N 3.34Å; S802-K804 PolarHBondContact O-N 3.2Å; K804-H808 WeakPolarHBondContact O-CB 3.47Å; K804-H808 PolarHBondContact O-N 2.83Å |
| 805 | I | 42.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 123 Ų | 123 | 64% | 0.641 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.4 | -41.8 | 178.4 | -62.4 | 177 | 0 | 0 | 0 | 110.5 | S802 R809 | S802-I805 PolarHBondContact O-N 3.02Å; I805-R809 WeakPolarHBondContact O-CB 3.3Å; I805-R809 PolarHBondContact O-N 2.97Å; I805-R809 VanDerWaalsContact O-N 3.08Å |
| 806 | V | 43.2 | Very low | 47.4 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.5 | -45.6 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | S802 R809 M810 | S802-V806 PolarHBondContact O-N 3.16Å; V806-R809 PolarHBondContact O-N 2.85Å; V806-M810 HydrophobicContact CG1-CG 4.31Å; V806-M810 HydrophobicContact CG1-SD 4.03Å; V806-M810 WeakPolarHBondContact O-CB 3.19Å; V806-M810 WeakPolarHBondContact O-CG 3.32Å; V806-M810 PolarHBondContact O-N 3.37Å |
| 807 | Q | 47.2 | Very low | 49.4 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.9 | -47.6 | 176.8 | -77.5 | 178 | -10.8 | 0 | 0 | 112.6 | S803 R809 M810 L811 | S803-Q807 WeakPolarHBondContact O-CB 3.5Å; S803-Q807 WeakPolarHBondContact O-CG 3.4Å; S803-Q807 PolarHBondContact O-N 2.95Å; Q807-R809 VanDerWaalsContact C-N 3.3Å; Q807-R809 PolarHBondContact O-N 2.93Å; Q807-M810 PolarHBondContact O-N 2.93Å; Q807-L811 WeakPolarHBondContact O-CB 3.2Å; Q807-L811 WeakPolarHBondContact O-CG 3.37Å; Q807-L811 PolarHBondContact O-N 3.46Å |
| 808 | H | 49.3 | Very low | 51.4 | Low | 145 Ų | 145 | 113.8 Ų | 113.8 | 67% | 0.671 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -38.4 | 178.9 | -161.1 | -85.3 | 0 | 0 | 0 | 112 | K804 S812 | K804-H808 WeakPolarHBondContact O-CB 3.47Å; K804-H808 PolarHBondContact O-N 2.83Å; H808-S812 VanDerWaalsContact O-CB 3.27Å; H808-S812 WeakPolarHBondContact O-CB 3.2Å; H808-S812 PolarHBondContact O-N 3.47Å |
| 809 | R | 49.7 | Very low | 53.2 | Low | 201 Ų | 201 | 109.6 Ų | 109.6 | 76% | 0.758 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.9 | -33.3 | 176.7 | -153.1 | 175.3 | -162.2 | 172.8 | 6.2 | 112.7 | I805 V806 Q807 R813 | I805-R809 WeakPolarHBondContact O-CB 3.3Å; I805-R809 PolarHBondContact O-N 2.97Å; I805-R809 VanDerWaalsContact O-N 3.08Å; V806-R809 PolarHBondContact O-N 2.85Å; Q807-R809 VanDerWaalsContact C-N 3.3Å; Q807-R809 PolarHBondContact O-N 2.93Å; R809-R813 WeakPolarHBondContact O-CB 3.32Å; R809-R813 PolarHBondContact O-N 3.43Å |
| 810 | M | 49.3 | Very low | 54.8 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.1 | -40.1 | 174.3 | -71.8 | -172.2 | 87.8 | 0 | 0 | 112.5 | V806 Q807 R813 Q814 | V806-M810 HydrophobicContact CG1-CG 4.31Å; V806-M810 HydrophobicContact CG1-SD 4.03Å; V806-M810 WeakPolarHBondContact O-CB 3.19Å; V806-M810 WeakPolarHBondContact O-CG 3.32Å; V806-M810 PolarHBondContact O-N 3.37Å; Q807-M810 PolarHBondContact O-N 2.93Å; M810-R813 PolarHBondContact O-N 2.99Å; M810-Q814 WeakPolarHBondContact O-CB 3.3Å; M810-Q814 PolarHBondContact O-N 2.75Å |
| 811 | L | 53.7 | Low | 56.5 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -50.5 | 173.7 | -73 | 169.6 | 0 | 0 | 0 | 110.7 | Q807 R813 Q814 E815 | Q807-L811 WeakPolarHBondContact O-CB 3.2Å; Q807-L811 WeakPolarHBondContact O-CG 3.37Å; Q807-L811 PolarHBondContact O-N 3.46Å; L811-R813 VanDerWaalsContact C-N 3.35Å; L811-R813 PolarHBondContact O-N 2.88Å; L811-Q814 PolarHBondContact O-N 2.7Å; L811-Q814 VanDerWaalsContact O-N 3.08Å; L811-E815 WeakPolarHBondContact O-CB 3.49Å; L811-E815 PolarHBondContact O-N 2.83Å |
| 812 | S | 68.6 | Low | 58.5 | Low | 69 Ų | 69 | 106.6 Ų | 106.6 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | H808 E815 E816 | H808-S812 VanDerWaalsContact O-CB 3.27Å; H808-S812 WeakPolarHBondContact O-CB 3.2Å; H808-S812 PolarHBondContact O-N 3.47Å; S812-E815 PolarHBondContact O-N 3.26Å; S812-E816 WeakPolarHBondContact O-CB 3.33Å; S812-E816 PolarHBondContact O-N 3.05Å |
| 813 | R | 59.5 | Low | 60.6 | Low | 144 Ų | 144 | 105.7 Ų | 105.7 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 174.4 | -174.2 | 176.7 | 179.5 | -105.5 | -5.2 | 112.7 | R809 M810 L811 E815 L817 E875 | R809-R813 WeakPolarHBondContact O-CB 3.32Å; R809-R813 PolarHBondContact O-N 3.43Å; M810-R813 PolarHBondContact O-N 2.99Å; L811-R813 VanDerWaalsContact C-N 3.35Å; L811-R813 PolarHBondContact O-N 2.88Å; R813-E815 VanDerWaalsContact C-N 3.32Å; R813-L817 HydrophobicContact CG-CD1 4.37Å; R813-L817 WeakPolarHBondContact O-CB 3.34Å; R813-L817 VanDerWaalsContact O-CG 3.28Å; R813-L817 WeakPolarHBondContact O-CG 3.37Å; R813-L817 PolarHBondContact O-N 3.05Å; R813-E875 IonicContact NH2-OE1 2.64Å |
| 814 | Q | 65.9 | Low | 62.3 | Low | 65 Ų | 65 | 106 Ų | 106 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 176.8 | -156.5 | -160.3 | 48.4 | 0 | 0 | 111.2 | M810 L811 K818 A876 | M810-Q814 WeakPolarHBondContact O-CB 3.3Å; M810-Q814 PolarHBondContact O-N 2.75Å; L811-Q814 PolarHBondContact O-N 2.7Å; L811-Q814 VanDerWaalsContact O-N 3.08Å; Q814-K818 VanDerWaalsContact O-CG 3.25Å; Q814-K818 WeakPolarHBondContact O-CG 3.3Å; Q814-K818 PolarHBondContact O-N 3.12Å; Q814-K818 VanDerWaalsContact OE1-CE 3.29Å; Q814-A876 HydrophobicContact CG-CB 4.05Å; Q814-A876 PolarHBondContact NE2-O 3.47Å |
| 815 | E | 70.6 | Confident | 63.6 | Low | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.7 | -44.4 | 175.3 | -169.2 | 150.3 | -115.5 | 0 | 0 | 112 | L811 S812 R813 L817 K818 E819 | L811-E815 WeakPolarHBondContact O-CB 3.49Å; L811-E815 PolarHBondContact O-N 2.83Å; S812-E815 PolarHBondContact O-N 3.26Å; R813-E815 VanDerWaalsContact C-N 3.32Å; E815-L817 VanDerWaalsContact C-N 3.27Å; E815-L817 PolarHBondContact O-N 3.42Å; E815-K818 WeakPolarHBondContact O-CB 3.43Å; E815-K818 PolarHBondContact O-N 2.84Å; E815-K818 VanDerWaalsContact O-N 3.12Å; E815-E819 PolarHBondContact O-N 2.7Å |
| 816 | E | 76.4 | Confident | 65.2 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.7 | -40.3 | 172.5 | -161.9 | -158.8 | 167.8 | 0 | 0 | 111.8 | S812 E819 R820 | S812-E816 WeakPolarHBondContact O-CB 3.33Å; S812-E816 PolarHBondContact O-N 3.05Å; E816-E819 PolarHBondContact O-N 2.94Å; E816-R820 WeakPolarHBondContact O-CB 3.38Å; E816-R820 VanDerWaalsContact O-CG 3.25Å; E816-R820 WeakPolarHBondContact O-CG 3.27Å; E816-R820 PolarHBondContact O-N 3.44Å; E816-R820 IonicContact OE1-CZ 2.87Å; E816-R820 IonicContact OE1-NE 3.97Å; E816-R820 PolarHBondContact OE1-NE 3.5Å; E816-R820 IonicContact OE1-NH2 3.53Å; E816-R820 PolarHBondContact OE1-NH2 3.23Å |
| 817 | L | 69.8 | Low | 66.6 | Low | 28 Ų | 28 | 101.6 Ų | 101.6 | 15% | 0.147 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 175.9 | -73.2 | 171.5 | 0 | 0 | 0 | 112.8 | R813 E815 A821 L872 A876 | R813-L817 HydrophobicContact CG-CD1 4.37Å; R813-L817 WeakPolarHBondContact O-CB 3.34Å; R813-L817 VanDerWaalsContact O-CG 3.28Å; R813-L817 WeakPolarHBondContact O-CG 3.37Å; R813-L817 PolarHBondContact O-N 3.05Å; E815-L817 VanDerWaalsContact C-N 3.27Å; E815-L817 PolarHBondContact O-N 3.42Å; L817-A821 WeakPolarHBondContact O-CB 3.45Å; L817-A821 PolarHBondContact O-N 3.43Å; L817-A821 VanDerWaalsContact O-N 3.08Å; L817-L872 HydrophobicContact CD2-CD2 4.32Å; L817-A876 HydrophobicContact CD1-CB 4.49Å |
| 818 | K | 72.9 | Confident | 67.6 | Low | 108 Ų | 108 | 97.5 Ų | 97.5 | 47% | 0.47 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 172.5 | -71.7 | 164.1 | -162.5 | 161.8 | 0 | 111 | Q814 E815 A821 R822 | Q814-K818 VanDerWaalsContact O-CG 3.25Å; Q814-K818 WeakPolarHBondContact O-CG 3.3Å; Q814-K818 PolarHBondContact O-N 3.12Å; Q814-K818 VanDerWaalsContact OE1-CE 3.29Å; E815-K818 WeakPolarHBondContact O-CB 3.43Å; E815-K818 PolarHBondContact O-N 2.84Å; E815-K818 VanDerWaalsContact O-N 3.12Å; K818-A821 WeakPolarHBondContact O-CB 3.5Å; K818-A821 PolarHBondContact O-N 2.9Å; K818-R822 PolarHBondContact O-N 3.31Å |
| 819 | E | 70.3 | Confident | 68.6 | Low | 87 Ų | 87 | 100.1 Ų | 100.1 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.1 | -39 | -176.8 | -167.4 | 51.7 | -140.6 | 0 | 0 | 111.6 | E815 E816 A821 R822 V823 | E815-E819 PolarHBondContact O-N 2.7Å; E816-E819 PolarHBondContact O-N 2.94Å; E819-A821 VanDerWaalsContact C-N 3.26Å; E819-A821 PolarHBondContact O-N 3.04Å; E819-R822 WeakPolarHBondContact O-CB 3.2Å; E819-R822 PolarHBondContact O-N 3.47Å; E819-R822 VanDerWaalsContact O-N 3.12Å; E819-R822 WeakPolarHBondContact OE1-CD 3.4Å; E819-R822 WeakPolarHBondContact OE2-CD 3.41Å; E819-R822 IonicContact OE2-NH1 2.84Å; E819-V823 WeakPolarHBondContact O-CG2 2.89Å; E819-V823 PolarHBondContact O-N 2.98Å |
| 820 | R | 68 | Low | 69.7 | Low | 151 Ų | 151 | 96.2 Ų | 96.2 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.3 | -38.4 | 167.8 | -74.3 | 173.3 | 179 | -129.9 | 8.3 | 112 | E816 L824 | E816-R820 WeakPolarHBondContact O-CB 3.38Å; E816-R820 VanDerWaalsContact O-CG 3.25Å; E816-R820 WeakPolarHBondContact O-CG 3.27Å; E816-R820 PolarHBondContact O-N 3.44Å; E816-R820 IonicContact OE1-CZ 2.87Å; E816-R820 IonicContact OE1-NE 3.97Å; E816-R820 PolarHBondContact OE1-NE 3.5Å; E816-R820 IonicContact OE1-NH2 3.53Å; E816-R820 PolarHBondContact OE1-NH2 3.23Å; R820-L824 WeakPolarHBondContact O-CG 3.24Å; R820-L824 PolarHBondContact O-N 2.77Å; R820-L824 VanDerWaalsContact O-N 3.12Å |
| 821 | A | 69.1 | Low | 70.6 | Confident | 4 Ų | 4 | 94.7 Ų | 94.7 | 3% | 0.033 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L817 K818 E819 L825 I873 | L817-A821 WeakPolarHBondContact O-CB 3.45Å; L817-A821 PolarHBondContact O-N 3.43Å; L817-A821 VanDerWaalsContact O-N 3.08Å; K818-A821 WeakPolarHBondContact O-CB 3.5Å; K818-A821 PolarHBondContact O-N 2.9Å; E819-A821 VanDerWaalsContact C-N 3.26Å; E819-A821 PolarHBondContact O-N 3.04Å; A821-L825 WeakPolarHBondContact O-CG 3.48Å; A821-L825 PolarHBondContact O-N 2.96Å; A821-L825 VanDerWaalsContact O-N 3.09Å; A821-I873 HydrophobicContact CB-CD1 4.45Å |
| 822 | R | 79.8 | Confident | 71.1 | Confident | 152 Ų | 152 | 91.4 Ų | 91.4 | 57% | 0.574 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.8 | -50.8 | 173 | -174.5 | -173.6 | -177.4 | 166.1 | -0.9 | 111.3 | K818 E819 L824 L825 E826 | K818-R822 PolarHBondContact O-N 3.31Å; E819-R822 WeakPolarHBondContact O-CB 3.2Å; E819-R822 PolarHBondContact O-N 3.47Å; E819-R822 VanDerWaalsContact O-N 3.12Å; E819-R822 WeakPolarHBondContact OE1-CD 3.4Å; E819-R822 WeakPolarHBondContact OE2-CD 3.41Å; E819-R822 IonicContact OE2-NH1 2.84Å; R822-L824 VanDerWaalsContact C-N 3.31Å; R822-L824 PolarHBondContact O-N 3.28Å; R822-L825 PolarHBondContact O-N 2.86Å; R822-L825 VanDerWaalsContact O-N 3.1Å; R822-E826 PolarHBondContact O-N 3.29Å |
| 823 | V | 79.8 | Confident | 70.8 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | E819 E826 Q827 | E819-V823 WeakPolarHBondContact O-CG2 2.89Å; E819-V823 PolarHBondContact O-N 2.98Å; V823-E826 PolarHBondContact O-N 2.96Å; V823-Q827 WeakPolarHBondContact O-CB 3.42Å; V823-Q827 PolarHBondContact O-N 3.29Å |
| 824 | L | 75.8 | Confident | 71 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.5 | -75.1 | 170.4 | 0 | 0 | 0 | 113.4 | R820 R822 A828 | R820-L824 WeakPolarHBondContact O-CG 3.24Å; R820-L824 PolarHBondContact O-N 2.77Å; R820-L824 VanDerWaalsContact O-N 3.12Å; R822-L824 VanDerWaalsContact C-N 3.31Å; R822-L824 PolarHBondContact O-N 3.28Å; L824-A828 WeakPolarHBondContact O-CB 3.46Å; L824-A828 PolarHBondContact O-N 3.22Å; L824-A828 VanDerWaalsContact O-N 3.15Å |
| 825 | L | 74.9 | Confident | 70.6 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69 | -34.4 | 174.1 | -76.2 | 167.8 | 0 | 0 | 0 | 112.3 | A821 R822 R829 | A821-L825 WeakPolarHBondContact O-CG 3.48Å; A821-L825 PolarHBondContact O-N 2.96Å; A821-L825 VanDerWaalsContact O-N 3.09Å; R822-L825 PolarHBondContact O-N 2.86Å; R822-L825 VanDerWaalsContact O-N 3.1Å; L825-R829 PolarHBondContact O-N 3.36Å; L825-R829 VanDerWaalsContact O-N 3.14Å |
| 826 | E | 75.9 | Confident | 69.8 | Low | 79 Ų | 79 | 88.5 Ų | 88.5 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -76.3 | -38.5 | 178.2 | -154.8 | 176.1 | 125.7 | 0 | 0 | 112.1 | R822 V823 A828 R829 R830 | R822-E826 PolarHBondContact O-N 3.29Å; V823-E826 PolarHBondContact O-N 2.96Å; E826-A828 VanDerWaalsContact C-N 3.33Å; E826-A828 PolarHBondContact O-N 2.78Å; E826-R829 WeakPolarHBondContact O-CA 3.4Å; E826-R829 WeakPolarHBondContact O-CB 3.42Å; E826-R829 PolarHBondContact O-N 3.4Å; E826-R830 WeakPolarHBondContact O-CG 3.48Å; E826-R830 PolarHBondContact O-N 3.26Å; E826-R830 IonicContact OE1-CZ 2.67Å; E826-R830 IonicContact OE1-NE 2.7Å; E826-R830 IonicContact OE1-NH2 3.78Å; E826-R830 PolarHBondContact OE1-NH2 2.98Å |
| 827 | Q | 72.8 | Confident | 68.3 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 43% | 0.425 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -53.4 | -50.8 | 168.8 | -165.3 | 78.3 | 15.2 | 0 | 0 | 110.4 | V823 R829 R830 D831 | V823-Q827 WeakPolarHBondContact O-CB 3.42Å; V823-Q827 PolarHBondContact O-N 3.29Å; Q827-R829 PolarHBondContact O-N 3.48Å; Q827-R830 PolarHBondContact O-N 2.61Å; Q827-R830 VanDerWaalsContact O-N 3.11Å; Q827-D831 PolarHBondContact O-N 3.45Å |
| 828 | A | 68 | Low | 67.2 | Low | 37 Ų | 37 | 92.4 Ų | 92.4 | 31% | 0.306 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -26.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L824 E826 A832 | L824-A828 WeakPolarHBondContact O-CB 3.46Å; L824-A828 PolarHBondContact O-N 3.22Å; L824-A828 VanDerWaalsContact O-N 3.15Å; E826-A828 VanDerWaalsContact C-N 3.33Å; E826-A828 PolarHBondContact O-N 2.78Å; A828-A832 WeakPolarHBondContact O-CB 3.33Å; A828-A832 PolarHBondContact O-N 3.4Å |
| 829 | R | 70.8 | Confident | 66.1 | Low | 201 Ų | 201 | 95.1 Ų | 95.1 | 76% | 0.758 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.6 | -44.9 | 170.4 | -92.1 | -177.8 | 166.9 | 174 | -3.5 | 112.3 | L825 E826 Q827 A832 A833 | L825-R829 PolarHBondContact O-N 3.36Å; L825-R829 VanDerWaalsContact O-N 3.14Å; E826-R829 WeakPolarHBondContact O-CA 3.4Å; E826-R829 WeakPolarHBondContact O-CB 3.42Å; E826-R829 PolarHBondContact O-N 3.4Å; Q827-R829 PolarHBondContact O-N 3.48Å; R829-A832 PolarHBondContact O-N 3.45Å; R829-A833 PolarHBondContact O-N 2.88Å |
| 830 | R | 72 | Confident | 65 | Low | 119 Ų | 119 | 100.1 Ų | 100.1 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.7 | -63.8 | -175 | -148.8 | 124.7 | -4.4 | 111 | E826 Q827 A832 A833 L834 | E826-R830 WeakPolarHBondContact O-CG 3.48Å; E826-R830 PolarHBondContact O-N 3.26Å; E826-R830 IonicContact OE1-CZ 2.67Å; E826-R830 IonicContact OE1-NE 2.7Å; E826-R830 IonicContact OE1-NH2 3.78Å; E826-R830 PolarHBondContact OE1-NH2 2.98Å; Q827-R830 PolarHBondContact O-N 2.61Å; Q827-R830 VanDerWaalsContact O-N 3.11Å; R830-A832 VanDerWaalsContact C-N 3.28Å; R830-A832 PolarHBondContact O-N 2.87Å; R830-A833 PolarHBondContact O-N 3.07Å; R830-A833 VanDerWaalsContact O-N 3.16Å; R830-L834 WeakPolarHBondContact O-CG 3.34Å; R830-L834 PolarHBondContact O-N 3.29Å |
| 831 | D | 67.8 | Low | 63.7 | Low | 79 Ų | 79 | 97.5 Ų | 97.5 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 174.9 | -65.2 | -15.6 | 0 | 0 | 0 | 112.3 | Q827 K835 | Q827-D831 PolarHBondContact O-N 3.45Å; D831-K835 WeakPolarHBondContact O-CB 3.44Å; D831-K835 PolarHBondContact O-N 3.01Å |
| 832 | A | 63.4 | Low | 62 | Low | 42 Ų | 42 | 103.6 Ų | 103.6 | 35% | 0.347 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.5 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A828 R829 R830 K835 A836 | A828-A832 WeakPolarHBondContact O-CB 3.33Å; A828-A832 PolarHBondContact O-N 3.4Å; R829-A832 PolarHBondContact O-N 3.45Å; R830-A832 VanDerWaalsContact C-N 3.28Å; R830-A832 PolarHBondContact O-N 2.87Å; A832-K835 PolarHBondContact O-N 3.41Å; A832-A836 WeakPolarHBondContact O-CB 3.31Å; A832-A836 PolarHBondContact O-N 3.28Å; A832-A836 VanDerWaalsContact O-N 3.08Å |
| 833 | A | 63.7 | Low | 60.2 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R829 R830 K835 A836 G837 | R829-A833 PolarHBondContact O-N 2.88Å; R830-A833 PolarHBondContact O-N 3.07Å; R830-A833 VanDerWaalsContact O-N 3.16Å; A833-K835 PolarHBondContact O-N 2.96Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-G837 PolarHBondContact O-N 3.38Å |
| 834 | L | 62.7 | Low | 58 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.5 | -40.7 | 175.8 | -69.4 | 168.5 | 0 | 0 | 0 | 112.1 | R830 A836 N838 | R830-L834 WeakPolarHBondContact O-CG 3.34Å; R830-L834 PolarHBondContact O-N 3.29Å; L834-A836 PolarHBondContact O-N 3.39Å; L834-N838 PolarHBondContact O-N 3.31Å |
| 835 | K | 59.1 | Low | 56.5 | Low | 96 Ų | 96 | 107.2 Ų | 107.2 | 42% | 0.417 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.3 | -9.6 | 174.5 | -148.3 | 175.8 | -169.8 | -176.3 | 0 | 113 | D831 A832 A833 D855 D858 | D831-K835 WeakPolarHBondContact O-CB 3.44Å; D831-K835 PolarHBondContact O-N 3.01Å; A832-K835 PolarHBondContact O-N 3.41Å; A833-K835 PolarHBondContact O-N 2.96Å; K835-D855 IonicContact NZ-OD1 3.79Å; K835-D855 PolarHBondContact NZ-OD1 2.65Å; K835-D858 IonicContact NZ-OD2 3.81Å; K835-D858 PolarHBondContact NZ-OD2 3.15Å |
| 836 | A | 52.5 | Low | 54.5 | Low | 62 Ų | 62 | 109.1 Ų | 109.1 | 51% | 0.512 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -91.9 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A832 A833 L834 N838 | A832-A836 WeakPolarHBondContact O-CB 3.31Å; A832-A836 PolarHBondContact O-N 3.28Å; A832-A836 VanDerWaalsContact O-N 3.08Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; L834-A836 PolarHBondContact O-N 3.39Å; A836-N838 VanDerWaalsContact C-N 3.31Å; A836-N838 PolarHBondContact O-N 2.87Å |
| 837 | G | 45.4 | Very low | 52.8 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.2 | -30.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A833 K839 | A833-G837 PolarHBondContact O-N 3.38Å; G837-K839 PolarHBondContact O-N 2.74Å |
| 838 | N | 46.7 | Very low | 51.4 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 44 | -178.7 | -160.9 | 21 | 0 | 0 | 0 | 114 | L834 A836 | L834-N838 PolarHBondContact O-N 3.31Å; A836-N838 VanDerWaalsContact C-N 3.31Å; A836-N838 PolarHBondContact O-N 2.87Å |
| 839 | K | 50.1 | Low | 50.1 | Low | 165 Ų | 165 | 119.2 Ų | 119.2 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 6.3 | 179.4 | -80 | -168.5 | 174.2 | -175 | 0 | 115.2 | G837 | G837-K839 PolarHBondContact O-N 2.74Š|
| 840 | H | 47.1 | Very low | 48.6 | Very low | 193 Ų | 193 | 116 Ų | 116 | 89% | 0.894 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -118.2 | 62.4 | 176.6 | -71.5 | -35.9 | 0 | 0 | 0 | 112.9 | ||
| 841 | S | 41.2 | Very low | 47.3 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -161 | 163.7 | 154.4 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 842 | T | 32.8 | Very low | 46.5 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | 66.6 | 106.9 | 174.1 | 63.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 843 | N | 40.9 | Very low | 45.6 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 95% | 0.947 | 71% | 0.714 | S | S | * | * | trans | -87.1 | 121.6 | 156.4 | -74.5 | -37 | 0 | 0 | 0 | 109.3 | ||||
| 844 | A | 34.7 | Very low | 44.9 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -159.4 | 139.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 845 | A | 43.8 | Very low | 44.6 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -103.9 | 123.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 846 | T | 32.4 | Very low | 44.7 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -170.5 | 161.9 | 163.6 | 7.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 847 | P | 40.8 | Very low | 45 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -80.3 | 151.7 | -140.7 | 28.2 | -37.5 | 0 | 0 | 0 | 117.8 | C849 | P847-C849 PolarHBondContact O-N 3.42Š| ||
| 848 | F | 43.1 | Very low | 45.7 | Very low | 201 Ų | 201 | 125.5 Ų | 125.5 | 88% | 0.882 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -66 | 111.2 | 166.4 | -91.7 | -115.3 | 0 | 0 | 0 | 111.1 | ||
| 849 | C | 40.5 | Very low | 46.8 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -156.6 | -55.3 | 151.6 | -153.8 | 0 | 0 | 0 | 0 | 111.4 | P847 R851 | P847-C849 PolarHBondContact O-N 3.42Å; C849-R851 PolarHBondContact O-N 3Å |
| 850 | N | 39.8 | Very low | 47.9 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.9 | -25.9 | -170.6 | -87.6 | -21.1 | 0 | 0 | 0 | 115.8 | Q852 S854 | N850-Q852 VanDerWaalsContact C-N 3.29Å; N850-Q852 PolarHBondContact O-N 2.81Å; N850-S854 PolarHBondContact O-N 2.77Å |
| 851 | R | 45.3 | Very low | 48.7 | Very low | 198 Ų | 198 | 115.9 Ų | 115.9 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.5 | -35.9 | -179 | -177.5 | 176.6 | -90 | -171.1 | -4.9 | 112 | C849 L853 S854 D855 | C849-R851 PolarHBondContact O-N 3Å; R851-L853 PolarHBondContact O-N 3.2Å; R851-S854 PolarHBondContact O-N 2.87Å; R851-S854 PolarHBondContact O-OG 2.81Å; R851-D855 WeakPolarHBondContact CG-OD2 3.38Å; R851-D855 PolarHBondContact O-N 3.23Å |
| 852 | Q | 49.6 | Very low | 50 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.8 | -35.5 | -173.5 | -162.9 | 159 | -12.2 | 0 | 0 | 112.7 | N850 Q856 | N850-Q852 VanDerWaalsContact C-N 3.29Å; N850-Q852 PolarHBondContact O-N 2.81Å; Q852-Q856 VanDerWaalsContact O-CB 3.23Å; Q852-Q856 WeakPolarHBondContact O-CB 3.48Å; Q852-Q856 PolarHBondContact O-N 3.14Å |
| 853 | L | 46.3 | Very low | 52 | Low | 100 Ų | 100 | 116.1 Ų | 116.1 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 171.3 | -74.6 | 169.7 | 0 | 0 | 0 | 112.1 | R851 Q856 Q857 | R851-L853 PolarHBondContact O-N 3.2Å; L853-Q856 PolarHBondContact O-N 3.43Å; L853-Q857 WeakPolarHBondContact O-CB 3.02Å; L853-Q857 WeakPolarHBondContact O-CG 3.31Å; L853-Q857 PolarHBondContact O-N 2.84Å |
| 854 | S | 48.5 | Very low | 54 | Low | 54 Ų | 54 | 113 Ų | 113 | 38% | 0.378 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.3 | -41.9 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | N850 R851 Q856 Q857 D858 | N850-S854 PolarHBondContact O-N 2.77Å; R851-S854 PolarHBondContact O-N 2.87Å; R851-S854 PolarHBondContact O-OG 2.81Å; S854-Q856 VanDerWaalsContact C-N 3.33Å; S854-Q857 PolarHBondContact O-N 2.78Å; S854-D858 WeakPolarHBondContact O-CB 3.48Å; S854-D858 PolarHBondContact O-N 2.94Å |
| 855 | D | 55 | Low | 55.8 | Low | 67 Ų | 67 | 112 Ų | 112 | 36% | 0.358 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.9 | -29.1 | 175.7 | -78.4 | -42.2 | 0 | 0 | 0 | 111.8 | K835 R851 E859 | K835-D855 IonicContact NZ-OD1 3.79Å; K835-D855 PolarHBondContact NZ-OD1 2.65Å; R851-D855 WeakPolarHBondContact CG-OD2 3.38Å; R851-D855 PolarHBondContact O-N 3.23Å; D855-E859 WeakPolarHBondContact O-CB 3.46Å; D855-E859 PolarHBondContact O-N 2.76Å |
| 856 | Q | 62.1 | Low | 57.2 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70 | -43.2 | 172.2 | -168.6 | 171.4 | 28.1 | 0 | 0 | 112 | Q852 L853 S854 E859 E860 | Q852-Q856 VanDerWaalsContact O-CB 3.23Å; Q852-Q856 WeakPolarHBondContact O-CB 3.48Å; Q852-Q856 PolarHBondContact O-N 3.14Å; L853-Q856 PolarHBondContact O-N 3.43Å; S854-Q856 VanDerWaalsContact C-N 3.33Å; Q856-E859 PolarHBondContact O-N 3.1Å; Q856-E860 WeakPolarHBondContact O-CB 3.29Å; Q856-E860 PolarHBondContact O-N 2.9Å |
| 857 | Q | 59.8 | Low | 59.2 | Low | 120 Ų | 120 | 112.2 Ų | 112.2 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -36 | 173 | -75.9 | -174.4 | -10.5 | 0 | 0 | 112.8 | L853 S854 R861 | L853-Q857 WeakPolarHBondContact O-CB 3.02Å; L853-Q857 WeakPolarHBondContact O-CG 3.31Å; L853-Q857 PolarHBondContact O-N 2.84Å; S854-Q857 PolarHBondContact O-N 2.78Å; Q857-R861 VanDerWaalsContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CB 3.44Å; Q857-R861 PolarHBondContact O-N 2.84Å |
| 858 | D | 58.7 | Low | 60.7 | Low | 43 Ų | 43 | 114.7 Ų | 114.7 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 172.8 | -87.6 | -4.7 | 0 | 0 | 0 | 111.1 | K835 S854 R861 R862 | K835-D858 IonicContact NZ-OD2 3.81Å; K835-D858 PolarHBondContact NZ-OD2 3.15Å; S854-D858 WeakPolarHBondContact O-CB 3.48Å; S854-D858 PolarHBondContact O-N 2.94Å; D858-R861 PolarHBondContact O-N 3.02Å; D858-R861 IonicContact OD1-CZ 2.64Å; D858-R861 IonicContact OD1-NH1 3.67Å; D858-R861 PolarHBondContact OD1-NH1 2.91Å; D858-R861 IonicContact OD1-NH2 2.71Å; D858-R862 WeakPolarHBondContact O-CB 3.23Å; D858-R862 VanDerWaalsContact O-CG 3.25Å; D858-R862 WeakPolarHBondContact O-CG 3.43Å; D858-R862 PolarHBondContact O-N 3.17Å |
| 859 | E | 69.9 | Low | 61.8 | Low | 57 Ų | 57 | 105.4 Ų | 105.4 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.4 | -27.6 | 178.1 | -163 | 54.5 | -134.1 | 0 | 0 | 112.6 | D855 Q856 R862 R863 R866 | D855-E859 WeakPolarHBondContact O-CB 3.46Å; D855-E859 PolarHBondContact O-N 2.76Å; Q856-E859 PolarHBondContact O-N 3.1Å; E859-R862 PolarHBondContact O-N 2.73Å; E859-R862 WeakPolarHBondContact OE2-CD 3.06Å; E859-R862 IonicContact OE2-CZ 2.87Å; E859-R862 IonicContact OE2-NE 3.15Å; E859-R862 IonicContact OE2-NH1 3.53Å; E859-R862 PolarHBondContact OE2-NH1 3.25Å; E859-R863 VanDerWaalsContact O-CG 3.31Å; E859-R863 WeakPolarHBondContact O-CG 3.04Å; E859-R863 PolarHBondContact O-N 2.88Å; E859-R866 IonicContact OE1-CZ 2.75Å; E859-R866 IonicContact OE1-NE 3.94Å; E859-R866 IonicContact OE1-NH2 2.7Å; E859-R866 PolarHBondContact OE1-NH2 2.77Å; E859-R866 IonicContact OE2-NH2 2.83Å |
| 860 | E | 73.4 | Confident | 63.4 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 167.4 | -174.9 | 169.8 | -153.1 | 0 | 0 | 111.5 | Q856 R862 R863 Q864 | Q856-E860 WeakPolarHBondContact O-CB 3.29Å; Q856-E860 PolarHBondContact O-N 2.9Å; E860-R862 VanDerWaalsContact C-N 3.25Å; E860-R862 PolarHBondContact O-N 2.79Å; E860-R863 CarbonylContact O-C 3.59Å; E860-R863 WeakPolarHBondContact O-CA 3.46Å; E860-R863 WeakPolarHBondContact O-CB 3.34Å; E860-R863 PolarHBondContact O-N 2.76Å; E860-Q864 WeakPolarHBondContact O-CG 3.44Å; E860-Q864 PolarHBondContact O-N 3.27Å |
| 861 | R | 64.9 | Low | 65 | Low | 131 Ų | 131 | 109 Ų | 109 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 173 | -160.6 | -174.2 | -54.2 | 115 | 9.2 | 111.1 | Q857 D858 L865 | Q857-R861 VanDerWaalsContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CB 3.44Å; Q857-R861 PolarHBondContact O-N 2.84Å; D858-R861 PolarHBondContact O-N 3.02Å; D858-R861 IonicContact OD1-CZ 2.64Å; D858-R861 IonicContact OD1-NH1 3.67Å; D858-R861 PolarHBondContact OD1-NH1 2.91Å; D858-R861 IonicContact OD1-NH2 2.71Å; R861-L865 WeakPolarHBondContact O-CB 3.39Å; R861-L865 VanDerWaalsContact O-CG 3.3Å; R861-L865 WeakPolarHBondContact O-CG 3.47Å; R861-L865 PolarHBondContact O-N 2.9Å |
| 862 | R | 67.9 | Low | 66.2 | Low | 62 Ų | 62 | 101.4 Ų | 101.4 | 23% | 0.234 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 171.5 | -72.7 | 164 | 169.4 | -177.4 | -0.9 | 112.6 | D858 E859 E860 L865 R866 | D858-R862 WeakPolarHBondContact O-CB 3.23Å; D858-R862 VanDerWaalsContact O-CG 3.25Å; D858-R862 WeakPolarHBondContact O-CG 3.43Å; D858-R862 PolarHBondContact O-N 3.17Å; E859-R862 PolarHBondContact O-N 2.73Å; E859-R862 WeakPolarHBondContact OE2-CD 3.06Å; E859-R862 IonicContact OE2-CZ 2.87Å; E859-R862 IonicContact OE2-NE 3.15Å; E859-R862 IonicContact OE2-NH1 3.53Å; E859-R862 PolarHBondContact OE2-NH1 3.25Å; E860-R862 VanDerWaalsContact C-N 3.25Å; E860-R862 PolarHBondContact O-N 2.79Å; R862-L865 PolarHBondContact O-N 2.91Å; R862-R866 WeakPolarHBondContact O-CB 3.12Å; R862-R866 VanDerWaalsContact O-CG 3.22Å; R862-R866 WeakPolarHBondContact O-CG 3.28Å; R862-R866 PolarHBondContact O-N 2.82Å |
| 863 | R | 74.8 | Confident | 67.1 | Low | 171 Ų | 171 | 97.9 Ų | 97.9 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 172.6 | -77.7 | 171.8 | -179.8 | -121.8 | 2.7 | 110.7 | E859 E860 L865 R866 E867 | E859-R863 VanDerWaalsContact O-CG 3.31Å; E859-R863 WeakPolarHBondContact O-CG 3.04Å; E859-R863 PolarHBondContact O-N 2.88Å; E860-R863 CarbonylContact O-C 3.59Å; E860-R863 WeakPolarHBondContact O-CA 3.46Å; E860-R863 WeakPolarHBondContact O-CB 3.34Å; E860-R863 PolarHBondContact O-N 2.76Å; R863-L865 VanDerWaalsContact C-N 3.31Å; R863-L865 PolarHBondContact O-N 2.8Å; R863-R866 CarbonylContact O-C 3.58Å; R863-R866 PolarHBondContact O-N 2.81Å; R863-R866 VanDerWaalsContact O-N 3.14Å; R863-E867 VanDerWaalsContact O-CB 3.25Å; R863-E867 WeakPolarHBondContact O-CB 3.48Å; R863-E867 PolarHBondContact O-N 2.91Å |
| 864 | Q | 82.9 | Confident | 68.1 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.7 | -40 | 175.2 | -68.2 | 172.9 | 8.2 | 0 | 0 | 112.2 | E860 E867 R868 | E860-Q864 WeakPolarHBondContact O-CG 3.44Å; E860-Q864 PolarHBondContact O-N 3.27Å; Q864-E867 PolarHBondContact O-N 2.74Å; Q864-R868 WeakPolarHBondContact O-CB 3.44Å; Q864-R868 PolarHBondContact O-N 2.95Å |
| 865 | L | 71.5 | Confident | 69 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 173.5 | -75.4 | 168 | 0 | 0 | 0 | 112.7 | R861 R862 R863 E867 A869 | R861-L865 WeakPolarHBondContact O-CB 3.39Å; R861-L865 VanDerWaalsContact O-CG 3.3Å; R861-L865 WeakPolarHBondContact O-CG 3.47Å; R861-L865 PolarHBondContact O-N 2.9Å; R862-L865 PolarHBondContact O-N 2.91Å; R863-L865 VanDerWaalsContact C-N 3.31Å; R863-L865 PolarHBondContact O-N 2.8Å; L865-E867 VanDerWaalsContact C-N 3.28Å; L865-E867 PolarHBondContact O-N 2.93Å; L865-A869 WeakPolarHBondContact O-CB 3.27Å; L865-A869 PolarHBondContact O-N 3.32Å |
| 866 | R | 74.1 | Confident | 69 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 174.7 | -68.5 | 174.9 | -140.3 | -127.5 | 15.5 | 111.8 | E859 R862 R863 R870 | E859-R866 IonicContact OE1-CZ 2.75Å; E859-R866 IonicContact OE1-NE 3.94Å; E859-R866 IonicContact OE1-NH2 2.7Å; E859-R866 PolarHBondContact OE1-NH2 2.77Å; E859-R866 IonicContact OE2-NH2 2.83Å; R862-R866 WeakPolarHBondContact O-CB 3.12Å; R862-R866 VanDerWaalsContact O-CG 3.22Å; R862-R866 WeakPolarHBondContact O-CG 3.28Å; R862-R866 PolarHBondContact O-N 2.82Å; R863-R866 CarbonylContact O-C 3.58Å; R863-R866 PolarHBondContact O-N 2.81Å; R863-R866 VanDerWaalsContact O-N 3.14Å; R866-R870 VanDerWaalsContact O-CG 3.31Å; R866-R870 WeakPolarHBondContact O-CG 3.46Å; R866-R870 PolarHBondContact O-N 3.07Å |
| 867 | E | 74.9 | Confident | 68.7 | Low | 110 Ų | 110 | 98.9 Ų | 98.9 | 51% | 0.514 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.4 | -41.2 | -178.5 | -172.4 | 147.9 | -129 | 0 | 0 | 112.2 | R863 Q864 L865 A869 R870 Q871 | R863-E867 VanDerWaalsContact O-CB 3.25Å; R863-E867 WeakPolarHBondContact O-CB 3.48Å; R863-E867 PolarHBondContact O-N 2.91Å; Q864-E867 PolarHBondContact O-N 2.74Å; L865-E867 VanDerWaalsContact C-N 3.28Å; L865-E867 PolarHBondContact O-N 2.93Å; E867-A869 VanDerWaalsContact C-N 3.29Å; E867-A869 PolarHBondContact O-N 3.03Å; E867-R870 CarbonylContact O-C 3.56Å; E867-R870 WeakPolarHBondContact O-CA 3.18Å; E867-R870 WeakPolarHBondContact O-CB 3.34Å; E867-R870 PolarHBondContact O-N 2.89Å; E867-R870 VanDerWaalsContact O-N 3.1Å; E867-Q871 PolarHBondContact O-N 2.88Å |
| 868 | R | 71.5 | Confident | 68.5 | Low | 172 Ų | 172 | 97.2 Ų | 97.2 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 169.4 | -168.9 | 177.6 | -173.4 | -175.9 | 3.3 | 111.7 | Q864 Q871 L872 | Q864-R868 WeakPolarHBondContact O-CB 3.44Å; Q864-R868 PolarHBondContact O-N 2.95Å; R868-Q871 PolarHBondContact O-N 2.86Å; R868-L872 WeakPolarHBondContact O-CG 3.26Å; R868-L872 PolarHBondContact O-N 3.03Å |
| 869 | A | 66.6 | Low | 68.3 | Low | 6 Ų | 6 | 97.4 Ų | 97.4 | 5% | 0.05 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | L865 E867 L872 I873 | L865-A869 WeakPolarHBondContact O-CB 3.27Å; L865-A869 PolarHBondContact O-N 3.32Å; E867-A869 VanDerWaalsContact C-N 3.29Å; E867-A869 PolarHBondContact O-N 3.03Å; A869-L872 PolarHBondContact O-N 2.84Å; A869-I873 WeakPolarHBondContact O-CB 3.27Å; A869-I873 WeakPolarHBondContact O-CD1 3.42Å; A869-I873 VanDerWaalsContact O-CG1 3.24Å; A869-I873 WeakPolarHBondContact O-CG1 3.41Å; A869-I873 PolarHBondContact O-N 3.47Å |
| 870 | R | 74.9 | Confident | 67.1 | Low | 177 Ų | 177 | 100.6 Ų | 100.6 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 172.1 | -72.1 | 167.5 | -176.7 | -168.2 | -0.6 | 112.3 | R866 E867 I873 A874 | R866-R870 VanDerWaalsContact O-CG 3.31Å; R866-R870 WeakPolarHBondContact O-CG 3.46Å; R866-R870 PolarHBondContact O-N 3.07Å; E867-R870 CarbonylContact O-C 3.56Å; E867-R870 WeakPolarHBondContact O-CA 3.18Å; E867-R870 WeakPolarHBondContact O-CB 3.34Å; E867-R870 PolarHBondContact O-N 2.89Å; E867-R870 VanDerWaalsContact O-N 3.1Å; R870-I873 PolarHBondContact O-N 3.45Å; R870-A874 WeakPolarHBondContact O-CB 3.24Å; R870-A874 PolarHBondContact O-N 3.48Å |
| 871 | Q | 72.9 | Confident | 65.1 | Low | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.603 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 176.3 | -75.7 | 178.1 | -16.6 | 0 | 0 | 111.8 | E867 R868 I873 A874 E875 | E867-Q871 PolarHBondContact O-N 2.88Å; R868-Q871 PolarHBondContact O-N 2.86Å; Q871-I873 VanDerWaalsContact C-N 3.31Å; Q871-I873 PolarHBondContact O-N 3.26Å; Q871-A874 CarbonylContact O-C 3.56Å; Q871-A874 WeakPolarHBondContact O-CA 3.25Å; Q871-A874 WeakPolarHBondContact O-CB 3.31Å; Q871-A874 PolarHBondContact O-N 2.81Å; Q871-A874 VanDerWaalsContact O-N 3.08Å; Q871-E875 WeakPolarHBondContact O-CB 3.48Å; Q871-E875 PolarHBondContact O-N 3.14Å |
| 872 | L | 70.6 | Confident | 63.4 | Low | 40 Ų | 40 | 107.3 Ų | 107.3 | 21% | 0.209 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 174.5 | -70 | 169.3 | 0 | 0 | 0 | 112.2 | L817 R868 A869 A874 A876 | L817-L872 HydrophobicContact CD2-CD2 4.32Å; R868-L872 WeakPolarHBondContact O-CG 3.26Å; R868-L872 PolarHBondContact O-N 3.03Å; A869-L872 PolarHBondContact O-N 2.84Å; L872-A874 VanDerWaalsContact C-N 3.34Å; L872-A876 WeakPolarHBondContact O-CB 3.37Å; L872-A876 PolarHBondContact O-N 3.33Å |
| 873 | I | 68.2 | Low | 61.8 | Low | 69 Ų | 69 | 109.3 Ų | 109.3 | 35% | 0.354 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.9 | -31 | 173.2 | -69.2 | 165.5 | 0 | 0 | 0 | 111.7 | A821 A869 R870 Q871 R877 | A821-I873 HydrophobicContact CB-CD1 4.45Å; A869-I873 WeakPolarHBondContact O-CB 3.27Å; A869-I873 WeakPolarHBondContact O-CD1 3.42Å; A869-I873 VanDerWaalsContact O-CG1 3.24Å; A869-I873 WeakPolarHBondContact O-CG1 3.41Å; A869-I873 PolarHBondContact O-N 3.47Å; R870-I873 PolarHBondContact O-N 3.45Å; Q871-I873 VanDerWaalsContact C-N 3.31Å; Q871-I873 PolarHBondContact O-N 3.26Å; I873-R877 WeakPolarHBondContact O-CB 3.35Å; I873-R877 WeakPolarHBondContact O-CD 3.21Å; I873-R877 WeakPolarHBondContact O-CG 3.1Å; I873-R877 PolarHBondContact O-N 3.06Å |
| 874 | A | 66.7 | Low | 59.8 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.7 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R870 Q871 L872 A876 R877 S878 | R870-A874 WeakPolarHBondContact O-CB 3.24Å; R870-A874 PolarHBondContact O-N 3.48Å; Q871-A874 CarbonylContact O-C 3.56Å; Q871-A874 WeakPolarHBondContact O-CA 3.25Å; Q871-A874 WeakPolarHBondContact O-CB 3.31Å; Q871-A874 PolarHBondContact O-N 2.81Å; Q871-A874 VanDerWaalsContact O-N 3.08Å; L872-A874 VanDerWaalsContact C-N 3.34Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.09Å; A874-R877 CarbonylContact O-C 3.52Å; A874-R877 WeakPolarHBondContact O-CA 3.07Å; A874-R877 WeakPolarHBondContact O-CB 3.42Å; A874-R877 PolarHBondContact O-N 2.79Å; A874-S878 PolarHBondContact O-N 3.05Å; A874-S878 PolarHBondContact O-OG 3.16Å |
| 875 | E | 68.3 | Low | 57.3 | Low | 96 Ų | 96 | 112.5 Ų | 112.5 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.2 | -44.2 | 173 | -170.9 | -168.7 | 147.3 | 0 | 0 | 110.7 | R813 Q871 R877 S878 G879 | R813-E875 IonicContact NH2-OE1 2.64Å; Q871-E875 WeakPolarHBondContact O-CB 3.48Å; Q871-E875 PolarHBondContact O-N 3.14Å; E875-R877 PolarHBondContact O-N 3.3Å; E875-R877 VanDerWaalsContact O-N 3.11Å; E875-S878 WeakPolarHBondContact CA-OG 3.45Å; E875-S878 PolarHBondContact O-N 3.24Å; E875-S878 PolarHBondContact O-OG 3.41Å; E875-G879 PolarHBondContact O-N 3.03Å |
| 876 | A | 54.5 | Low | 55.4 | Low | 21 Ų | 21 | 113.8 Ų | 113.8 | 17% | 0.174 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -68.3 | -2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q814 L817 L872 A874 | Q814-A876 HydrophobicContact CG-CB 4.05Å; Q814-A876 PolarHBondContact NE2-O 3.47Å; L817-A876 HydrophobicContact CD1-CB 4.49Å; L872-A876 WeakPolarHBondContact O-CB 3.37Å; L872-A876 PolarHBondContact O-N 3.33Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.09Å |
| 877 | R | 56.5 | Low | 53.4 | Low | 200 Ų | 200 | 113.9 Ų | 113.9 | 76% | 0.755 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -116.8 | -25.6 | 175.8 | -77.9 | 174.2 | 171.1 | -165.6 | -4.1 | 113.8 | I873 A874 E875 G879 | I873-R877 WeakPolarHBondContact O-CB 3.35Å; I873-R877 WeakPolarHBondContact O-CD 3.21Å; I873-R877 WeakPolarHBondContact O-CG 3.1Å; I873-R877 PolarHBondContact O-N 3.06Å; A874-R877 CarbonylContact O-C 3.52Å; A874-R877 WeakPolarHBondContact O-CA 3.07Å; A874-R877 WeakPolarHBondContact O-CB 3.42Å; A874-R877 PolarHBondContact O-N 2.79Å; E875-R877 PolarHBondContact O-N 3.3Å; E875-R877 VanDerWaalsContact O-N 3.11Å; R877-G879 PolarHBondContact O-N 2.97Å |
| 878 | S | 54.7 | Low | 51 | Low | 85 Ų | 85 | 117.6 Ų | 117.6 | 59% | 0.594 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.7 | -3.9 | 169.7 | 58.2 | 0 | 0 | 0 | 0 | 113 | A874 E875 V880 | A874-S878 PolarHBondContact O-N 3.05Å; A874-S878 PolarHBondContact O-OG 3.16Å; E875-S878 WeakPolarHBondContact CA-OG 3.45Å; E875-S878 PolarHBondContact O-N 3.24Å; E875-S878 PolarHBondContact O-OG 3.41Å; S878-V880 PolarHBondContact O-N 2.89Å |
| 879 | G | 54.2 | Low | 49.3 | Very low | 47 Ų | 47 | 112 Ų | 112 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | trans | -68.6 | 26.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | E875 R877 | E875-G879 PolarHBondContact O-N 3.03Å; R877-G879 PolarHBondContact O-N 2.97Å | ||
| 880 | V | 45.1 | Very low | 47.4 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -143.1 | 132.5 | 168.5 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | S878 | S878-V880 PolarHBondContact O-N 2.89Š|
| 881 | K | 31.7 | Very low | 45.3 | Very low | 190 Ų | 190 | 121.2 Ų | 121.2 | 83% | 0.826 | 65% | 0.652 | S | S | * | * | trans | 65.7 | 83.5 | -172.6 | -65.6 | -172.4 | 176.7 | -171.2 | 0 | 115.9 | ||||
| 882 | M | 28.9 | Very low | 43.1 | Very low | 187 Ų | 187 | 119.4 Ų | 119.4 | 92% | 0.921 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | -82.7 | 138 | 120.4 | -71.4 | -65.5 | -71.6 | 0 | 0 | 107.1 | |||
| 883 | S | 35.2 | Very low | 41.2 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 173.9 | -177.8 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 884 | E | 32.7 | Very low | 39.3 | Very low | 182 Ų | 182 | 125.4 Ų | 125.4 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 140.8 | 165.5 | -59.4 | 162.3 | 125.4 | 0 | 0 | 111.6 | ||
| 885 | L | 29.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | trans | -167.7 | 169.6 | 140.4 | -100.1 | 170.6 | 0 | 0 | 0 | 106.9 | ||||
| 886 | P | 33.1 | Very low | 35.8 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | -83.1 | 164.4 | -124.3 | 33.4 | -38.9 | 0 | 0 | 0 | 115.4 | Y888 | P886-Y888 PolarHBondContact O-N 2.83Š| |||
| 887 | S | 31 | Very low | 34.7 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | -55.6 | 130.6 | 162.6 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 888 | Y | 24.9 | Very low | 33.3 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 74% | 0.737 | 74% | 0.742 | S | S | * | * | trans | -120.1 | 99.4 | -178.7 | -159.6 | -104.5 | 0 | 0 | 0 | 110.6 | P886 E890 | P886-Y888 PolarHBondContact O-N 2.83Å; Y888-E890 WeakPolarHBondContact CE1-O 3.49Å | ||
| 889 | G | 36.4 | Very low | 31.9 | Very low | 55 Ų | 55 | 140.7 Ų | 140.7 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | trans | -83.5 | 166.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 890 | E | 25.7 | Very low | 30.8 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 72.3 | 115.7 | 173.6 | -53.3 | -155.3 | 114.8 | 0 | 0 | 117.7 | Y888 | Y888-E890 WeakPolarHBondContact CE1-O 3.49Š| ||
| 891 | M | 30.6 | Very low | 30.1 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 96% | 0.961 | 76% | 0.758 | S | S | * | * | trans | -73.8 | 134.7 | 174.2 | -44.3 | 165.5 | -158 | 0 | 0 | 109.7 | ||||
| 892 | A | 28 | Very low | 29.8 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -152.4 | 155.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 893 | A | 29.1 | Very low | 29.5 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 165.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 894 | E | 28.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -162.9 | 161.4 | 1.7 | -137.2 | -177.9 | 170.6 | 0 | 0 | 112.1 | ||||
| 895 | K | 32.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | 39.2 | 136.8 | 139.1 | -86.4 | 173.7 | -166.1 | 152.3 | 0 | 122.8 | ||||
| 896 | L | 30 | Very low | 29 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 156.3 | 139.3 | -63.9 | 170.2 | 0 | 0 | 0 | 116.7 | ||||
| 897 | K | 29.8 | Very low | 28.9 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | cis | -174.6 | 139.7 | -18 | 163.4 | -178 | 159.4 | -173.3 | 0 | 109.9 | ||||
| 898 | E | 27.1 | Very low | 28.8 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | trans | 62.2 | 170.5 | 165.5 | -78.7 | -165.6 | 107 | 0 | 0 | 115.9 | ||||
| 899 | R | 26.8 | Very low | 28.9 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | cis | 177.3 | 145.9 | -29.6 | 177.6 | -141.7 | -167.5 | 131.9 | -11.7 | 107.9 | ||||
| 900 | S | 31.4 | Very low | 28.7 | Very low | 87 Ų | 87 | 137 Ų | 137 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | trans | 71.7 | 165.3 | 167.6 | -49.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 901 | K | 28.6 | Very low | 28.7 | Very low | 189 Ų | 189 | 136 Ų | 136 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | cis | -167.5 | 141.8 | -30.5 | -102.8 | 179 | 178.6 | -173.3 | 0 | 108.5 | ||||
| 902 | A | 26.6 | Very low | 28.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | 44.5 | 157 | 135.2 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 903 | C | 23.2 | Very low | 28.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 92% | 0.919 | 72% | 0.717 | S | S | * | * | trans | 71.9 | 150 | 166 | -127.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 904 | G | 25.1 | Very low | 28.5 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | cis | -149.5 | 155.6 | -12.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 905 | D | 29.1 | Very low | 28.5 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | 86.4 | 147.9 | 55.2 | -150.5 | 2.9 | 0 | 0 | 0 | 113.3 | |||||
| 906 | E | 31.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | trans | 71.1 | 123 | 179 | -59.5 | -145.9 | -173.5 | 0 | 0 | 117.3 | ||||
| 907 | N | 29.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | 95.2 | 146.3 | 74.5 | -68.8 | -16.5 | 0 | 0 | 0 | 112.4 | |||||
| 908 | D | 30.5 | Very low | 29 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -167 | 149.2 | -20.7 | -135.5 | -4.7 | 0 | 0 | 0 | 111.8 | ||||
| 909 | N | 27 | Very low | 29.9 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | 57.6 | 170.8 | 152.4 | -65.4 | -52.6 | 0 | 0 | 0 | 124.8 | ||||
| 910 | I | 30.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 78.7 | 108.8 | 167.6 | -64.3 | 167.4 | 0 | 0 | 0 | 115.1 | ||||
| 911 | E | 26.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | 77.2 | 144.5 | 66.9 | -72.7 | -174.1 | 141.5 | 0 | 0 | 114.1 | |||||
| 912 | I | 29.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | cis | -159.6 | 163.1 | -15 | -115 | 168.3 | 0 | 0 | 0 | 109.5 | ||||
| 913 | D | 27.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 0 | 145.1 | 168.2 | -56.7 | -35.3 | 0 | 0 | 0 | 124.1 | ||||
| 914 | T | 27.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | 165.1 | 155.5 | 130.9 | 31.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 915 | N | 27.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | cis | -160.4 | 167.6 | -37.6 | -137.5 | 21.6 | 0 | 0 | 0 | 109.9 | ||||
| 916 | E | 30.6 | Very low | 30.9 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 60.1 | 111.4 | 152.5 | -71.6 | 163.1 | -178.7 | 0 | 0 | 123.1 | ||||
| 917 | E | 34.2 | Very low | 30.9 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 42.4 | 124.1 | 131.1 | -60.4 | -162.1 | 119.3 | 0 | 0 | 125.7 | ||||
| 918 | I | 38.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 63.9 | 134 | 123.6 | -63.5 | 172.2 | 0 | 0 | 0 | 118.3 | |||||
| 919 | P | 45.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | cis | -145.7 | -164.9 | 46.8 | 35.9 | -11.1 | 0 | 0 | 0 | 117.8 | ||||
| 920 | E | 35 | Very low | 31.9 | Very low | 198 Ų | 198 | 134.4 Ų | 134.4 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 165.9 | 178 | -46.9 | 172.2 | 124.4 | 0 | 0 | 114.8 | ||||
| 921 | G | 30.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 125.6 | 85.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 922 | F | 27.8 | Very low | 32 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 76.2 | 174.2 | 130.6 | -135.7 | -102.9 | 0 | 0 | 0 | 124.1 | V924 | F922-V924 HydrophobicContact CD1-CG2 4.48Å; F922-V924 HydrophobicContact CE1-CG2 3.96Å | ||
| 923 | V | 26 | Very low | 32.1 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | 85.7 | 107 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 924 | V | 32.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 74.4 | 137.9 | 63 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | F922 | F922-V924 HydrophobicContact CD1-CG2 4.48Å; F922-V924 HydrophobicContact CE1-CG2 3.96Å | |||
| 925 | G | 29.5 | Very low | 32.3 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | cis | 134.1 | 147.9 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 926 | G | 30.7 | Very low | 32.4 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | cis | 179.2 | -175.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 927 | G | 32 | Very low | 32.5 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 103.7 | 154.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 928 | D | 35.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | cis | -157.1 | -163.2 | -11.3 | -74.7 | -54.5 | 0 | 0 | 0 | 107.3 | ||||
| 929 | E | 38.4 | Very low | 31.8 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -164.6 | 171.6 | 8.5 | -153.7 | -160.2 | 155.2 | 0 | 0 | 110.3 | ||||
| 930 | L | 34.8 | Very low | 32 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 64.5 | 137.9 | 161.6 | -60.2 | -173.1 | 0 | 0 | 0 | 120.2 | ||||
| 931 | T | 31.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | cis | -146.2 | 137.3 | 1.1 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 932 | N | 28.9 | Very low | 31.3 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 64.2 | 142.4 | 130.7 | -65.1 | -18.2 | 0 | 0 | 0 | 126.6 | ||||
| 933 | L | 31.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | 68.9 | 136.1 | 162.3 | -85.1 | 78.2 | 0 | 0 | 0 | 119.4 | ||||
| 934 | E | 26.4 | Very low | 31.1 | Very low | 151 Ų | 151 | 126 Ų | 126 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | cis | -163.3 | 113.7 | -18 | -162.5 | 153.3 | -166.8 | 0 | 0 | 111.6 | ||||
| 935 | N | 31.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | trans | 52.8 | 152.3 | 133.6 | -64.7 | 45.2 | 0 | 0 | 0 | 122.1 | ||||
| 936 | D | 29 | Very low | 30.7 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | cis | -169.4 | 165.8 | -2.9 | -95.7 | -8.9 | 0 | 0 | 0 | 108 | ||||
| 937 | L | 33.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 135 Ų | 135 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | cis | -162.9 | 142.5 | -19.9 | -111.2 | 168.5 | 0 | 0 | 0 | 110.4 | ||||
| 938 | D | 26.7 | Very low | 30.4 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 40.9 | 163.3 | 141.9 | -74.4 | -7.4 | 0 | 0 | 0 | 126.9 | ||||
| 939 | T | 31.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -118.1 | -176.2 | 165.7 | 63 | 0 | 0 | 0 | 0 | 108 | ||||
| 940 | P | 48.8 | Very low | 29.8 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | cis | -143.6 | -169 | 4.3 | 40.6 | -18 | 0 | 0 | 0 | 116.5 | ||||
| 941 | E | 25.6 | Very low | 29.5 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | 73.2 | 162.8 | 142.6 | -128.7 | -175.3 | -119.2 | 0 | 0 | 124.6 | ||||
| 942 | Q | 26.6 | Very low | 29.5 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | trans | 77.3 | 105.8 | 162.3 | -61.7 | -64.8 | -25.9 | 0 | 0 | 123.1 | ||||
| 943 | N | 23.8 | Very low | 29.5 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | 23.5 | 132 | 135.3 | -67.9 | -65 | 0 | 0 | 0 | 123.2 | ||||
| 944 | S | 24.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | 147 | 114.3 | 115.6 | -177 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 945 | K | 28 | Very low | 29 | Very low | 190 Ų | 190 | 136 Ų | 136 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | 58.5 | 117.5 | 136.3 | -66.3 | 177.8 | -178.3 | 171.2 | 0 | 124.4 | ||||
| 946 | L | 26.8 | Very low | 28.5 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | 91.4 | 148.9 | 114 | -159 | 79.6 | 0 | 0 | 0 | 122 | |||||
| 947 | V | 27.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | 102.1 | 110.1 | 156.9 | -167.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 948 | D | 28.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 57% | 0.572 | 72% | 0.717 | S | S | * | * | trans | 13.1 | 146.6 | 136.1 | -74.7 | 35.8 | 0 | 0 | 0 | 121.1 | K950 | D948-K950 IonicContact OD2-NZ 2.59Å; D948-K950 PolarHBondContact OD2-NZ 3.22Å | ||
| 949 | L | 33.1 | Very low | 28.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | -155.8 | 132.3 | 67 | -81.4 | 163.6 | 0 | 0 | 0 | 111.5 | |||||
| 950 | K | 27.9 | Very low | 28 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | 50.1 | 134.5 | 94.1 | -58.2 | -168.5 | -179.8 | 80.4 | 0 | 113.7 | D948 | D948-K950 IonicContact OD2-NZ 2.59Å; D948-K950 PolarHBondContact OD2-NZ 3.22Å | |||
| 951 | L | 29 | Very low | 26.7 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 65% | 0.654 | 71% | 0.713 | S | S | * | * | -169.3 | 140 | 64.2 | -78.5 | 167.1 | 0 | 0 | 0 | 113.8 | |||||
| 952 | K | 30.2 | Very low | 26.6 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 74% | 0.739 | 70% | 0.704 | S | S | * | * | trans | 63.5 | 159.4 | 132.1 | -67.1 | 178.3 | -179.4 | 163.3 | 0 | 119.7 | ||||
| 953 | K | 29.5 | Very low | 26.5 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | cis | -153.4 | 165.6 | -1.6 | -133.1 | -169.6 | 173.1 | -158.6 | 0 | 110.8 | ||||
| 954 | L | 23.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | trans | 12.9 | 150.2 | 141.9 | -68 | 174.6 | 0 | 0 | 0 | 120 | ||||
| 955 | L | 24.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | cis | -152.2 | 142.5 | 46.7 | -153.8 | 55.5 | 0 | 0 | 0 | 108.4 | ||||
| 956 | E | 21.3 | Very low | 27.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | 39.3 | 127.9 | 94.3 | -97.7 | 169 | 114.6 | 0 | 0 | 113 | |||||
| 957 | V | 26.8 | Very low | 27.2 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | -149 | 145.4 | 60.4 | 159.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 958 | Q | 26.9 | Very low | 27.3 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | -103.1 | 138.2 | 161 | -171.9 | -162.2 | 51.4 | 0 | 0 | 109 | ||||
| 959 | P | 33.4 | Very low | 27.2 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | -136.8 | 134.8 | 123.6 | 31.6 | -15.4 | 0 | 0 | 0 | 111.1 | |||||
| 960 | Q | 21.7 | Very low | 27 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | 64.9 | 137.5 | 93.8 | -61.6 | -168.2 | 2.9 | 0 | 0 | 114.3 | |||||
| 961 | V | 22.7 | Very low | 26.9 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | cis | -161.8 | 177.4 | -0.1 | 112.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 962 | A | 22.2 | Very low | 26.8 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | trans | 87 | 121.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 963 | N | 24.7 | Very low | 26.5 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | 75 | 100.9 | 128.7 | -57.4 | 1.6 | 0 | 0 | 0 | 121 | |||||
| 964 | S | 32 | Very low | 26.3 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | -59.9 | 155.4 | 122.7 | -36.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 965 | P | 35 | Very low | 26.3 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | -152.1 | 175.7 | 51.7 | 43.5 | -23.3 | 0 | 0 | 0 | 118.1 | |||||
| 966 | S | 25.2 | Very low | 26.3 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 32.6 | 161.2 | 133.7 | -151.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 967 | S | 25.3 | Very low | 26.7 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 78.4 | 133.7 | 160.3 | -136.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 968 | A | 29.5 | Very low | 26.6 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | cis | 75.1 | 126.5 | 26.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 969 | A | 27.3 | Very low | 26.6 | Very low | 94 Ų | 94 | 124 Ų | 124 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | -170.5 | 143.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 970 | Q | 28.1 | Very low | 26.3 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -143.4 | 172.2 | 0.8 | -52.9 | 173.9 | -6.8 | 0 | 0 | 106.9 | ||||
| 971 | K | 26.3 | Very low | 26.6 | Very low | 186 Ų | 186 | 123.1 Ų | 123.1 | 81% | 0.809 | 73% | 0.734 | S | S | * | * | cis | -152.7 | 169 | 20.4 | -71.2 | -178.9 | 178.1 | 179.3 | 0 | 108.9 | ||||
| 972 | A | 26.5 | Very low | 27 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | -178.9 | 160.2 | -30.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 973 | V | 25 | Very low | 27.4 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 69.3 | 114.8 | 161.3 | 176.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 974 | T | 25.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -139.1 | -100.2 | -11.5 | 5.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 975 | E | 23.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | cis | -159.6 | -179.5 | -14.4 | -158.6 | 46.1 | -83.9 | 0 | 0 | 112.6 | ||||
| 976 | S | 24.8 | Very low | 27.6 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | -80.9 | 140.7 | -158 | 63.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 977 | S | 28.2 | Very low | 27.9 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 72.6 | 147.4 | 138 | -134.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 978 | E | 25.6 | Very low | 28.4 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 78.7 | 161.8 | 149.5 | -91.5 | 144.6 | -96.8 | 0 | 0 | 123.7 | ||||
| 979 | Q | 27 | Very low | 28.5 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -82.2 | 163 | -162 | -54.3 | 158.3 | -118.9 | 0 | 0 | 110.8 | ||||
| 980 | D | 25.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | -174.1 | 154.5 | 64.8 | -116.7 | -10.1 | 0 | 0 | 0 | 114.4 | |||||
| 981 | I | 29.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | trans | 35.7 | 117.1 | 144.8 | -39.3 | 153.7 | 0 | 0 | 0 | 120 | ||||
| 982 | K | 31.5 | Very low | 28.9 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 72% | 0.72 | S | S | * | * | -170.6 | 147.4 | 114 | -100.8 | 159.7 | -167 | 170.4 | 0 | 115.4 | |||||
| 983 | N | 28.6 | Very low | 29.1 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -89.9 | 174.9 | -166.3 | -54.3 | -13.4 | 0 | 0 | 0 | 113.8 | ||||
| 984 | G | 32.7 | Very low | 29.3 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | 138.4 | 60.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 985 | T | 34.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | 65.8 | 121.4 | 50.1 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 986 | E | 30.5 | Very low | 29.6 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | cis | -142.1 | 152.8 | 10.8 | -126.6 | 142.5 | -146.2 | 0 | 0 | 108.7 | ||||
| 987 | D | 31.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | 67 | 143.7 | 46.9 | -86.1 | 12.1 | 0 | 0 | 0 | 113.7 | ||||
| 988 | L | 35.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 58% | 0.581 | 73% | 0.726 | S | S | * | * | cis | -170.4 | 173.7 | -8 | -119 | 177.8 | 0 | 0 | 0 | 112.2 | ||||
| 989 | R | 30.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 145 Ų | 145 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | 70.8 | 160.4 | 146.8 | -80.3 | 179.2 | -178.6 | 112.1 | 3.4 | 121.6 | ||||
| 990 | T | 31.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | cis | -167.9 | 153 | -43.1 | 22.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 991 | E | 30.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 67.4 | 130.7 | 150.3 | -81.4 | -144 | 113.8 | 0 | 0 | 125.6 | ||||
| 992 | R | 28.5 | Very low | 29.3 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 76.3 | 119.8 | 135.1 | -82.8 | -175 | 155.8 | 114.1 | 4.7 | 125.6 | ||||
| 993 | L | 30.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | 85.6 | 110.2 | 130.5 | -69.7 | 168.4 | 0 | 0 | 0 | 124 | ||||
| 994 | Q | 29.3 | Very low | 28.9 | Very low | 154 Ų | 154 | 145 Ų | 145 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | 64.6 | 121.1 | 135.6 | -66.1 | -168.4 | 37.9 | 0 | 0 | 124.7 | ||||
| 995 | K | 29.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | 48.2 | 123 | 135.6 | -66.5 | -178.5 | 173.2 | -179.8 | 0 | 121.4 | ||||
| 996 | T | 25.3 | Very low | 28 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | -177.6 | 152.8 | 104.6 | 28.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 997 | T | 25.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | 27.6 | 144.8 | 142.1 | -113.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 998 | E | 24.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 58% | 0.579 | 75% | 0.746 | S | S | * | * | cis | -171.3 | 154 | -4.5 | -136.1 | -175.8 | 138.2 | 0 | 0 | 111.3 | ||||
| 999 | R | 25.8 | Very low | 27.7 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 62.2 | 156.5 | 160.8 | -64.8 | 175 | -156 | -147.2 | 5.4 | 117.3 | ||||
| 1000 | F | 26.9 | Very low | 27.5 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | cis | -153.6 | 173.6 | 3.1 | -124.3 | -44.4 | 0 | 0 | 0 | 110.4 | ||||
| 1001 | R | 26 | Very low | 27.4 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | 86.3 | 130.5 | 167.8 | -165.6 | -176.1 | -71.8 | -119.5 | 5 | 117.8 | ||||
| 1002 | S | 26.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -101.4 | 155.9 | 172.7 | -51 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1003 | P | 29.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | -110.7 | 152 | 115.7 | -8.9 | 28.3 | 0 | 0 | 0 | 110.1 | |||||
| 1004 | V | 21.6 | Very low | 27.3 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | 70.7 | 96.8 | 53.4 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1005 | V | 26.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | 46.2 | 111.2 | 146.4 | -167.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1006 | F | 22.2 | Very low | 27.2 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | -151.3 | 152.3 | 77.8 | -100.9 | -82.1 | 0 | 0 | 0 | 113 | |||||
| 1007 | S | 24.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -142.4 | 143.3 | 166.7 | -66.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1008 | K | 40.1 | Very low | 27.7 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | trans | -70.1 | 131.9 | -167 | -63.2 | 177.2 | 178.3 | -178.4 | 0 | 111.2 | ||||
| 1009 | D | 26.2 | Very low | 27.9 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | -167.5 | 86.6 | 142.4 | -96 | -27.1 | 0 | 0 | 0 | 110.2 | ||||
| 1010 | S | 26.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -94.2 | 94.3 | 172.9 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1011 | T | 28.6 | Very low | 29 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | trans | -100.5 | 86.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111 | R1013 | T1011-R1013 HydrophobicContact CG2-CG 4.46Å; T1011-R1013 PolarHBondContact O-N 2.74Å | ||
| 1012 | V | 26.4 | Very low | 29.5 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117.5 | 165 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1013 | R | 31.2 | Very low | 29.9 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 126.1 | 179.3 | -73.1 | -166.9 | 175.1 | 94.8 | -1.9 | 111.2 | T1011 | T1011-R1013 HydrophobicContact CG2-CG 4.46Å; T1011-R1013 PolarHBondContact O-N 2.74Å |
| 1014 | K | 30.2 | Very low | 30.3 | Very low | 130 Ų | 130 | 126 Ų | 126 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 143.1 | 166.5 | -67.8 | 179.2 | 170.2 | -173.1 | 0 | 110.5 | Q1016 Y1149 | K1014-Q1016 PolarHBondContact O-N 2.85Å; K1014-Q1016 VanDerWaalsContact O-N 3.08Å; K1014-Y1149 WeakPolarHBondContact CE-OH 3.38Å |
| 1015 | T | 27.1 | Very low | 30.7 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 83% | 0.834 | 65% | 0.646 | S | S | * | * | trans | -67.8 | 99.9 | 161.1 | 43.9 | 0 | 0 | 0 | 0 | 109.3 | L1017 | T1015-L1017 PolarHBondContact O-N 3.17Š| ||
| 1016 | Q | 29.5 | Very low | 30.8 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | trans | -82 | 96.2 | 179.3 | -171.7 | 171.3 | 18 | 0 | 0 | 110 | K1014 | K1014-Q1016 PolarHBondContact O-N 2.85Å; K1014-Q1016 VanDerWaalsContact O-N 3.08Å | ||
| 1017 | L | 30.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | trans | -58.7 | 147.5 | 146.9 | -84.2 | 91.2 | 0 | 0 | 0 | 107.8 | T1015 S1019 V1193 | T1015-L1017 PolarHBondContact O-N 3.17Å; L1017-S1019 PolarHBondContact O-N 2.76Å; L1017-S1019 VanDerWaalsContact O-N 3.13Å; L1017-V1193 HydrophobicContact CD2-CG1 3.96Å | ||
| 1018 | Q | 30.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 65% | 0.654 | 65% | 0.647 | S | S | * | * | trans | -69 | 111.3 | 173.9 | -67.1 | -171.5 | -96 | 0 | 0 | 108.7 | Q1022 | Q1018-Q1022 VanDerWaalsContact NE2-OE1 3.1Š| ||
| 1019 | S | 30.3 | Very low | 30.8 | Very low | 29 Ų | 29 | 129 Ų | 129 | 20% | 0.203 | 65% | 0.645 | C | S | . | * | trans | -65.2 | 142.9 | 167.7 | 67 | 0 | 0 | 0 | 0 | 109.1 | L1017 S1021 Q1022 | L1017-S1019 PolarHBondContact O-N 2.76Å; L1017-S1019 VanDerWaalsContact O-N 3.13Å; S1019-S1021 PolarHBondContact O-N 3.02Å; S1019-S1021 PolarHBondContact OG-OG 3.26Å; S1019-Q1022 PolarHBondContact O-N 2.94Å | ||
| 1020 | F | 39.2 | Very low | 30.8 | Very low | 90 Ų | 90 | 130 Ų | 130 | 40% | 0.395 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -59.9 | -22.5 | -174.2 | -144.1 | -99.7 | 0 | 0 | 0 | 112.9 | Q1022 Y1023 L1139 | F1020-Q1022 PolarHBondContact O-N 3.41Å; F1020-Q1022 VanDerWaalsContact O-N 3.08Å; F1020-Y1023 PolarHBondContact O-N 3.24Å; F1020-L1139 HydrophobicContact CB-CD2 3.45Å; F1020-L1139 VanDerWaalsContact CB-CD2 3.45Å; F1020-L1139 HydrophobicContact CD1-CD1 4.01Å; F1020-L1139 HydrophobicContact CD1-CD2 4.33Å; F1020-L1139 HydrophobicContact CG-CD1 4.5Å; F1020-L1139 HydrophobicContact CG-CD2 3.99Å |
| 1021 | S | 36 | Very low | 31.2 | Very low | 28 Ų | 28 | 133.8 Ų | 133.8 | 20% | 0.196 | 65% | 0.649 | C | S | . | * | G | 310 helix | trans | -44.7 | -37.8 | 174.9 | -21.8 | 0 | 0 | 0 | 0 | 113.7 | S1019 Y1023 I1024 | S1019-S1021 PolarHBondContact O-N 3.02Å; S1019-S1021 PolarHBondContact OG-OG 3.26Å; S1021-Y1023 PolarHBondContact O-N 3.01Å; S1021-Y1023 VanDerWaalsContact O-N 3.11Å; S1021-I1024 PolarHBondContact O-N 3.08Å; S1021-I1024 VanDerWaalsContact O-N 3.08Å |
| 1022 | Q | 36.4 | Very low | 31.1 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 44% | 0.435 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -67.2 | -13.7 | -172.3 | -171.2 | 159.6 | 75.7 | 0 | 0 | 114.4 | Q1018 S1019 F1020 N1026 | Q1018-Q1022 VanDerWaalsContact NE2-OE1 3.1Å; S1019-Q1022 PolarHBondContact O-N 2.94Å; F1020-Q1022 PolarHBondContact O-N 3.41Å; F1020-Q1022 VanDerWaalsContact O-N 3.08Å; Q1022-N1026 PolarHBondContact O-ND2 3.43Å |
| 1023 | Y | 35.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -82 | -18.1 | 173.4 | -80.9 | -77.4 | 0 | 0 | 0 | 114.4 | F1020 S1021 | F1020-Y1023 PolarHBondContact O-N 3.24Å; S1021-Y1023 PolarHBondContact O-N 3.01Å; S1021-Y1023 VanDerWaalsContact O-N 3.11Å |
| 1024 | I | 37.1 | Very low | 31 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 54% | 0.538 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -32.8 | 178.6 | -59.2 | -64.3 | 0 | 0 | 0 | 111.8 | S1021 N1026 Y1073 | S1021-I1024 PolarHBondContact O-N 3.08Å; S1021-I1024 VanDerWaalsContact O-N 3.08Å; I1024-N1026 VanDerWaalsContact C-N 3.33Å; I1024-N1026 PolarHBondContact O-N 3.39Å; I1024-Y1073 HydrophobicContact CD1-CE1 4.24Å |
| 1025 | E | 30.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -77.1 | -10.4 | -160.5 | -154.9 | 168.3 | -140.7 | 0 | 0 | 115.2 | R1027 | E1025-R1027 PolarHBondContact O-N 3.4Š|
| 1026 | N | 28.1 | Very low | 30.9 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | -99.1 | 68.5 | -171.2 | -75 | -77.2 | 0 | 0 | 0 | 113.7 | Q1022 I1024 | Q1022-N1026 PolarHBondContact O-ND2 3.43Å; I1024-N1026 VanDerWaalsContact C-N 3.33Å; I1024-N1026 PolarHBondContact O-N 3.39Å | ||
| 1027 | R | 27.9 | Very low | 30.8 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | trans | -122.5 | 127.9 | 171.2 | -163.5 | -179.5 | -167.4 | -170.5 | 6 | 111.6 | E1025 | E1025-R1027 PolarHBondContact O-N 3.4Š| ||
| 1028 | P | 30.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -75.1 | 132.4 | -178.5 | 29.3 | -34.3 | 0 | 0 | 0 | 112.6 | M1030 | P1028-M1030 PolarHBondContact O-N 3.38Š| ||
| 1029 | E | 28.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -68.1 | 123 | 174.8 | -64.4 | -172.3 | 132.4 | 0 | 0 | 112.3 | ||||
| 1030 | M | 26.3 | Very low | 30.7 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -94.9 | 105.6 | 168.2 | -81.1 | -167.9 | 162.8 | 0 | 0 | 111.5 | P1028 R1032 | P1028-M1030 PolarHBondContact O-N 3.38Å; M1030-R1032 PolarHBondContact O-N 3.09Å; M1030-R1032 VanDerWaalsContact O-N 3.13Å | ||
| 1031 | K | 33.7 | Very low | 30.4 | Very low | 194 Ų | 194 | 160.7 Ų | 160.7 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -67.1 | 105 | 173.4 | -64.6 | 176.6 | -178.6 | 176.4 | 0 | 110.6 | ||||
| 1032 | R | 28 | Very low | 30.3 | Very low | 242 Ų | 242 | 169.4 Ų | 169.4 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128.3 | 168.1 | -69.2 | -172.3 | 178.8 | -175.6 | 0.6 | 110.1 | M1030 | M1030-R1032 PolarHBondContact O-N 3.09Å; M1030-R1032 VanDerWaalsContact O-N 3.13Å |
| 1033 | Q | 28.5 | Very low | 29.8 | Very low | 191 Ų | 191 | 168.6 Ų | 168.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 152.1 | 172 | -71.7 | 170.2 | -97.7 | 0 | 0 | 110.7 | ||
| 1034 | R | 27 | Very low | 29.5 | Very low | 245 Ų | 245 | 165.8 Ų | 165.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141 | 169.6 | -90.4 | -179.6 | -85.1 | -153 | -6.8 | 110.8 | ||
| 1035 | S | 23.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 168.7 Ų | 168.7 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 166 | 148.3 | -163.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1036 | I | 30.7 | Very low | 29.4 | Very low | 152 Ų | 152 | 168.9 Ų | 168.9 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -121 | 131.3 | -159.3 | -61.5 | 162.2 | 0 | 0 | 0 | 110.7 | ||||
| 1037 | Q | 27.5 | Very low | 29.6 | Very low | 180 Ų | 180 | 170.6 Ų | 170.6 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -173 | 125.7 | 138.1 | -111.2 | 170.6 | -6.2 | 0 | 0 | 111.9 | ||||
| 1038 | E | 26.9 | Very low | 29.7 | Very low | 197 Ų | 197 | 164.7 Ų | 164.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -165 | 150.5 | 137.7 | -123.1 | 175.4 | -163.3 | 0 | 0 | 110 | ||||
| 1039 | D | 29.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -117.4 | 124.8 | -161.2 | -112.3 | -41.8 | 0 | 0 | 0 | 114.4 | ||||
| 1040 | T | 31.9 | Very low | 29.9 | Very low | 111 Ų | 111 | 163.2 Ų | 163.2 | 68% | 0.681 | 82% | 0.823 | S | S | * | * | trans | 41 | 116.3 | 154.3 | 65.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1041 | K | 33.5 | Very low | 30.2 | Very low | 199 Ų | 199 | 160.8 Ų | 160.8 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | -177.6 | 130 | 101.4 | -98.8 | 162 | -174.2 | 167.2 | 0 | 116.6 | |||||
| 1042 | K | 33.8 | Very low | 30.1 | Very low | 211 Ų | 211 | 159.8 Ų | 159.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -0.1 | 130.5 | 157.2 | -62.5 | -174.9 | 173.2 | -171.6 | 0 | 121.9 | ||||
| 1043 | G | 26.9 | Very low | 30.3 | Very low | 76 Ų | 76 | 154.2 Ų | 154.2 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | 129 | 152.5 | 122 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1044 | N | 28.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | cis | -169.9 | 119.2 | -22.9 | 177.2 | 78.8 | 0 | 0 | 0 | 109.3 | ||||
| 1045 | E | 33.8 | Very low | 31.1 | Very low | 167 Ų | 167 | 153 Ų | 153 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 61.2 | 158.5 | 169.2 | -65.3 | 170.8 | 134.9 | 0 | 0 | 116.1 | ||||
| 1046 | E | 31.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 156.5 Ų | 156.5 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | cis | -136.4 | -155.3 | 10.3 | -141.5 | -148.2 | 139.6 | 0 | 0 | 114 | ||||
| 1047 | K | 33 | Very low | 31.9 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 172.8 | -168.8 | -58 | 179.7 | -160.6 | 89.5 | 0 | 112 | ||||
| 1048 | A | 29 | Very low | 32.5 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | cis | -154.6 | 180 | 27.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1049 | A | 30.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -101.8 | 154.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1050 | I | 33 | Very low | 34.4 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -132.1 | 148.4 | 160.1 | -57.6 | -179.2 | 0 | 0 | 0 | 108.1 | ||||
| 1051 | T | 33.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 126.4 | -168.7 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1052 | E | 29.8 | Very low | 35.8 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -89.6 | 104.8 | 167.3 | -171.3 | -176.6 | 178.6 | 0 | 0 | 111.3 | ||||
| 1053 | T | 33 | Very low | 36.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -90.8 | 110.6 | 164.9 | -58 | 0 | 0 | 0 | 0 | 108.2 | R1055 | T1053-R1055 PolarHBondContact O-N 2.94Š| ||
| 1054 | Q | 35.7 | Very low | 37.6 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -57 | 109.1 | -178.4 | -78.1 | -166.5 | -2.8 | 0 | 0 | 112.1 | ||||
| 1055 | R | 35.9 | Very low | 38.7 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 117.7 | 168.7 | -165.7 | 174.7 | -168.5 | 153.3 | 2.1 | 107.6 | T1053 | T1053-R1055 PolarHBondContact O-N 2.94Š|
| 1056 | K | 38.7 | Very low | 39.5 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 134.6 | 171.9 | -66.2 | -177.5 | 179.2 | -177.6 | 0 | 108.8 | ||
| 1057 | P | 34 | Very low | 40.2 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 62% | 0.617 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142.4 | 169.7 | 28.1 | -33.8 | 0 | 0 | 0 | 109.5 | E1061 | P1057-E1061 WeakPolarHBondContact CB-OE2 3.45Š|
| 1058 | S | 40.5 | Very low | 41.3 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 151.4 | 177.6 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | D1060 E1061 | S1058-D1060 PolarHBondContact O-N 2.79Å; S1058-D1060 VanDerWaalsContact O-N 3.11Å; S1058-E1061 WeakPolarHBondContact O-CB 3.44Å; S1058-E1061 PolarHBondContact O-N 3.32Å |
| 1059 | E | 48.6 | Very low | 43 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -57.9 | -30.3 | -175 | -61.5 | 177.1 | 153.9 | 0 | 0 | 112.8 | E1061 V1062 L1063 | E1059-E1061 PolarHBondContact O-N 2.66Å; E1059-V1062 PolarHBondContact O-N 2.88Å; E1059-V1062 VanDerWaalsContact O-N 3.11Å; E1059-L1063 PolarHBondContact O-N 2.73Å |
| 1060 | D | 46.7 | Very low | 44.8 | Very low | 116 Ų | 116 | 123 Ų | 123 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.2 | -31.9 | 172.3 | -72.1 | -18.2 | 0 | 0 | 0 | 114.1 | S1058 N1064 | S1058-D1060 PolarHBondContact O-N 2.79Å; S1058-D1060 VanDerWaalsContact O-N 3.11Å; D1060-N1064 VanDerWaalsContact O-CB 3.29Å; D1060-N1064 WeakPolarHBondContact O-CB 3.45Å; D1060-N1064 PolarHBondContact O-N 3.43Å; D1060-N1064 PolarHBondContact O-ND2 3.08Å |
| 1061 | E | 46.9 | Very low | 46.8 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.2 | -27 | 179.6 | -66.1 | -169.2 | 118.1 | 0 | 0 | 112.6 | P1057 S1058 E1059 K1065 | P1057-E1061 WeakPolarHBondContact CB-OE2 3.45Å; S1058-E1061 WeakPolarHBondContact O-CB 3.44Å; S1058-E1061 PolarHBondContact O-N 3.32Å; E1059-E1061 PolarHBondContact O-N 2.66Å; E1061-K1065 PolarHBondContact O-N 3.4Å |
| 1062 | V | 48.5 | Very low | 49.1 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 63% | 0.63 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.1 | -46.7 | -177.4 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | E1059 N1064 K1065 | E1059-V1062 PolarHBondContact O-N 2.88Å; E1059-V1062 VanDerWaalsContact O-N 3.11Å; V1062-N1064 VanDerWaalsContact C-N 3.3Å; V1062-N1064 PolarHBondContact O-N 3.44Å; V1062-K1065 PolarHBondContact O-N 3.49Å |
| 1063 | L | 49.8 | Very low | 51.8 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.4 | -37.2 | 173.3 | -73.7 | 167.8 | 0 | 0 | 0 | 111.8 | E1059 K1065 G1066 | E1059-L1063 PolarHBondContact O-N 2.73Å; L1063-K1065 PolarHBondContact O-N 2.95Å; L1063-K1065 VanDerWaalsContact O-N 3.16Å; L1063-G1066 PolarHBondContact O-N 2.88Å |
| 1064 | N | 49.4 | Very low | 54.3 | Low | 64 Ų | 64 | 108.4 Ų | 108.4 | 34% | 0.342 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -10.3 | 176.6 | -99.1 | -89.1 | 0 | 0 | 0 | 115 | D1060 V1062 K1068 | D1060-N1064 VanDerWaalsContact O-CB 3.29Å; D1060-N1064 WeakPolarHBondContact O-CB 3.45Å; D1060-N1064 PolarHBondContact O-N 3.43Å; D1060-N1064 PolarHBondContact O-ND2 3.08Å; V1062-N1064 VanDerWaalsContact C-N 3.3Å; V1062-N1064 PolarHBondContact O-N 3.44Å; N1064-K1068 WeakPolarHBondContact O-CD 3.37Å; N1064-K1068 WeakPolarHBondContact O-CE 3.41Å; N1064-K1068 VanDerWaalsContact O-CG 3.24Å; N1064-K1068 WeakPolarHBondContact O-CG 3.42Å |
| 1065 | K | 51.2 | Low | 56.6 | Low | 147 Ų | 147 | 103.5 Ų | 103.5 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -83 | -50.7 | 170.9 | -81.2 | -164.6 | 169.4 | -165 | 0 | 112.3 | E1061 V1062 L1063 F1067 K1068 D1069 | E1061-K1065 PolarHBondContact O-N 3.4Å; V1062-K1065 PolarHBondContact O-N 3.49Å; L1063-K1065 PolarHBondContact O-N 2.95Å; L1063-K1065 VanDerWaalsContact O-N 3.16Å; K1065-F1067 VanDerWaalsContact C-N 3.32Å; K1065-F1067 PolarHBondContact O-N 2.96Å; K1065-K1068 WeakPolarHBondContact O-CA 3.43Å; K1065-K1068 WeakPolarHBondContact O-CB 3.31Å; K1065-K1068 PolarHBondContact O-N 3.22Å; K1065-D1069 PolarHBondContact O-N 3.45Å |
| 1066 | G | 49.6 | Very low | 59.1 | Low | 35 Ų | 35 | 94.4 Ų | 94.4 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.8 | -44.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1063 K1068 D1069 T1070 | L1063-G1066 PolarHBondContact O-N 2.88Å; G1066-K1068 VanDerWaalsContact C-N 3.31Å; G1066-K1068 PolarHBondContact O-N 3.11Å; G1066-D1069 PolarHBondContact O-N 2.76Å; G1066-T1070 PolarHBondContact O-N 3.23Å; G1066-T1070 VanDerWaalsContact O-N 3.12Å; G1066-T1070 PolarHBondContact O-OG1 3.29Å |
| 1067 | F | 47.3 | Very low | 61.5 | Low | 94 Ų | 94 | 86.8 Ų | 86.8 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.3 | -24.8 | 176.1 | -81.4 | -79 | 0 | 0 | 0 | 114.6 | K1065 T1070 S1071 | K1065-F1067 VanDerWaalsContact C-N 3.32Å; K1065-F1067 PolarHBondContact O-N 2.96Å; F1067-T1070 PolarHBondContact O-OG1 3.15Å; F1067-S1071 WeakPolarHBondContact O-CB 3.24Å; F1067-S1071 PolarHBondContact O-N 2.9Å |
| 1068 | K | 55 | Low | 64.1 | Low | 119 Ų | 119 | 83.4 Ų | 83.4 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -77.5 | -45.6 | 174.9 | -72.2 | 172.1 | -165.9 | 162.4 | 0 | 110.3 | N1064 K1065 G1066 T1070 S1071 Q1072 | N1064-K1068 WeakPolarHBondContact O-CD 3.37Å; N1064-K1068 WeakPolarHBondContact O-CE 3.41Å; N1064-K1068 VanDerWaalsContact O-CG 3.24Å; N1064-K1068 WeakPolarHBondContact O-CG 3.42Å; K1065-K1068 WeakPolarHBondContact O-CA 3.43Å; K1065-K1068 WeakPolarHBondContact O-CB 3.31Å; K1065-K1068 PolarHBondContact O-N 3.22Å; G1066-K1068 VanDerWaalsContact C-N 3.31Å; G1066-K1068 PolarHBondContact O-N 3.11Å; K1068-T1070 PolarHBondContact O-N 3.29Å; K1068-S1071 PolarHBondContact O-N 3.45Å; K1068-Q1072 WeakPolarHBondContact O-CB 3.47Å; K1068-Q1072 PolarHBondContact O-N 3.03Å |
| 1069 | D | 65.9 | Low | 66.4 | Low | 104 Ų | 104 | 82.8 Ų | 82.8 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | -178.7 | -62.8 | -16.4 | 0 | 0 | 0 | 111.4 | K1065 G1066 Y1073 | K1065-D1069 PolarHBondContact O-N 3.45Å; G1066-D1069 PolarHBondContact O-N 2.76Å; D1069-Y1073 WeakPolarHBondContact O-CB 3.36Å; D1069-Y1073 PolarHBondContact O-N 3.18Å |
| 1070 | T | 67.6 | Low | 68.4 | Low | 31 Ų | 31 | 77.6 Ų | 77.6 | 19% | 0.19 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 175 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | G1066 F1067 K1068 Q1072 Y1073 V1074 | G1066-T1070 PolarHBondContact O-N 3.23Å; G1066-T1070 VanDerWaalsContact O-N 3.12Å; G1066-T1070 PolarHBondContact O-OG1 3.29Å; F1067-T1070 PolarHBondContact O-OG1 3.15Å; K1068-T1070 PolarHBondContact O-N 3.29Å; T1070-Q1072 VanDerWaalsContact C-N 3.32Å; T1070-Q1072 PolarHBondContact O-N 3.42Å; T1070-Y1073 PolarHBondContact O-N 3.36Å; T1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; T1070-V1074 PolarHBondContact O-N 3.39Å; T1070-V1074 VanDerWaalsContact O-N 3.09Å |
| 1071 | S | 76.5 | Confident | 70.4 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | F1067 K1068 V1075 | F1067-S1071 WeakPolarHBondContact O-CB 3.24Å; F1067-S1071 PolarHBondContact O-N 2.9Å; K1068-S1071 PolarHBondContact O-N 3.45Å; S1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; S1071-V1075 PolarHBondContact O-N 2.92Å |
| 1072 | Q | 81.3 | Confident | 72.4 | Confident | 144 Ų | 144 | 73.8 Ų | 73.8 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.2 | -34.1 | 178.5 | -170.7 | 165.7 | 6.4 | 0 | 0 | 111.6 | K1068 T1070 G1076 | K1068-Q1072 WeakPolarHBondContact O-CB 3.47Å; K1068-Q1072 PolarHBondContact O-N 3.03Å; T1070-Q1072 VanDerWaalsContact C-N 3.32Å; T1070-Q1072 PolarHBondContact O-N 3.42Å; Q1072-G1076 PolarHBondContact O-N 3.2Å |
| 1073 | Y | 85.8 | Confident | 74.4 | Confident | 119 Ų | 119 | 73 Ų | 73 | 47% | 0.467 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 169.7 | 177 | -103.3 | 0 | 0 | 0 | 112.1 | I1024 D1069 T1070 V1075 G1076 E1077 | I1024-Y1073 HydrophobicContact CD1-CE1 4.24Å; D1069-Y1073 WeakPolarHBondContact O-CB 3.36Å; D1069-Y1073 PolarHBondContact O-N 3.18Å; T1070-Y1073 PolarHBondContact O-N 3.36Å; Y1073-V1075 PolarHBondContact O-N 2.93Å; Y1073-G1076 PolarHBondContact O-N 3.36Å; Y1073-E1077 WeakPolarHBondContact CE1-OE2 3.32Å; Y1073-E1077 PolarHBondContact O-N 2.87Å; Y1073-E1077 PolarHBondContact OH-OE2 3.38Å |
| 1074 | V | 85.9 | Confident | 76.3 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | -179.9 | 170 | 0 | 0 | 0 | 0 | 111.8 | T1070 E1077 L1078 L1136 L1139 E1140 | T1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; T1070-V1074 PolarHBondContact O-N 3.39Å; T1070-V1074 VanDerWaalsContact O-N 3.09Å; V1074-E1077 PolarHBondContact O-N 2.75Å; V1074-L1078 HydrophobicContact CG1-CD1 4.15Å; V1074-L1078 WeakPolarHBondContact O-CB 3.18Å; V1074-L1078 WeakPolarHBondContact O-CG 3.1Å; V1074-L1078 PolarHBondContact O-N 2.95Å; V1074-L1136 HydrophobicContact CB-CD2 4.44Å; V1074-L1136 HydrophobicContact CG1-CB 4.26Å; V1074-L1136 HydrophobicContact CG1-CD2 4.17Å; V1074-L1136 VanDerWaalsContact CG1-O 3.28Å; V1074-L1136 WeakPolarHBondContact CG1-O 3.41Å; V1074-L1136 HydrophobicContact CG2-CD2 4.22Å; V1074-L1139 HydrophobicContact CG1-CB 4.11Å; V1074-L1139 HydrophobicContact CG2-CB 3.94Å; V1074-L1139 HydrophobicContact CG2-CD1 4.25Å; V1074-E1140 HydrophobicContact CG1-CB 4.24Å |
| 1075 | V | 83.8 | Confident | 78.2 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | S1071 Y1073 A1079 | S1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; S1071-V1075 PolarHBondContact O-N 2.92Å; Y1073-V1075 PolarHBondContact O-N 2.93Å; V1075-A1079 PolarHBondContact O-N 2.95Å; V1075-A1079 VanDerWaalsContact O-N 3.1Å |
| 1076 | G | 88.6 | Confident | 80.1 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1072 Y1073 A1080 | Q1072-G1076 PolarHBondContact O-N 3.2Å; Y1073-G1076 PolarHBondContact O-N 3.36Å; G1076-A1080 PolarHBondContact O-N 3.11Å; G1076-A1080 VanDerWaalsContact O-N 3.17Å |
| 1077 | E | 88.4 | Confident | 82.1 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 176.4 | -160.6 | -175.4 | 160.2 | 0 | 0 | 111.5 | Y1073 V1074 A1079 A1080 L1081 R1132 L1136 | Y1073-E1077 WeakPolarHBondContact CE1-OE2 3.32Å; Y1073-E1077 PolarHBondContact O-N 2.87Å; Y1073-E1077 PolarHBondContact OH-OE2 3.38Å; V1074-E1077 PolarHBondContact O-N 2.75Å; E1077-A1079 PolarHBondContact O-N 3.44Å; E1077-A1080 WeakPolarHBondContact O-CB 3.29Å; E1077-A1080 PolarHBondContact O-N 2.9Å; E1077-A1080 VanDerWaalsContact O-N 3.17Å; E1077-L1081 HydrophobicContact CG-CD1 4.03Å; E1077-L1081 HydrophobicContact CG-CG 4.41Å; E1077-L1081 VanDerWaalsContact O-CG 3.26Å; E1077-L1081 WeakPolarHBondContact O-CG 3.39Å; E1077-L1081 PolarHBondContact O-N 3.39Å; E1077-R1132 IonicContact OE1-CZ 3.5Å; E1077-R1132 IonicContact OE1-NE 2.6Å; E1077-R1132 PolarHBondContact OE1-NE 3.01Å; E1077-R1132 IonicContact OE1-NH2 2.86Å; E1077-R1132 PolarHBondContact OE1-NH2 2.96Å; E1077-R1132 IonicContact OE2-CZ 2.71Å; E1077-R1132 IonicContact OE2-NE 2.92Å; E1077-R1132 IonicContact OE2-NH2 2.83Å; E1077-R1132 PolarHBondContact OE2-NH2 2.94Å; E1077-L1136 HydrophobicContact CB-CD1 3.98Å; E1077-L1136 HydrophobicContact CB-CD2 4.34Å; E1077-L1136 HydrophobicContact CG-CD1 3.77Å |
| 1078 | L | 88.2 | Confident | 84.1 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 172.6 | -79.5 | 168.1 | 0 | 0 | 0 | 112.2 | V1074 A1080 L1081 E1082 M1133 L1136 E1140 | V1074-L1078 HydrophobicContact CG1-CD1 4.15Å; V1074-L1078 WeakPolarHBondContact O-CB 3.18Å; V1074-L1078 WeakPolarHBondContact O-CG 3.1Å; V1074-L1078 PolarHBondContact O-N 2.95Å; L1078-A1080 VanDerWaalsContact C-N 3.31Å; L1078-A1080 PolarHBondContact O-N 3.19Å; L1078-L1081 PolarHBondContact O-N 3.34Å; L1078-E1082 WeakPolarHBondContact O-CB 3.27Å; L1078-E1082 PolarHBondContact O-N 3.46Å; L1078-M1133 HydrophobicContact CD2-CG 3.78Å; L1078-L1136 HydrophobicContact CD1-CB 4.3Å; L1078-L1136 HydrophobicContact CD2-CB 3.62Å; L1078-L1136 HydrophobicContact CG-CB 3.73Å; L1078-E1140 HydrophobicContact CD1-CB 4.5Å |
| 1079 | A | 89.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V1075 E1077 N1083 | V1075-A1079 PolarHBondContact O-N 2.95Å; V1075-A1079 VanDerWaalsContact O-N 3.1Å; E1077-A1079 PolarHBondContact O-N 3.44Å; A1079-N1083 PolarHBondContact O-N 2.92Å |
| 1080 | A | 90.3 | Very high | 87.1 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 49% | 0.488 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1076 E1077 L1078 N1083 E1084 | G1076-A1080 PolarHBondContact O-N 3.11Å; G1076-A1080 VanDerWaalsContact O-N 3.17Å; E1077-A1080 WeakPolarHBondContact O-CB 3.29Å; E1077-A1080 PolarHBondContact O-N 2.9Å; E1077-A1080 VanDerWaalsContact O-N 3.17Å; L1078-A1080 VanDerWaalsContact C-N 3.31Å; L1078-A1080 PolarHBondContact O-N 3.19Å; A1080-N1083 PolarHBondContact O-N 3.01Å; A1080-E1084 PolarHBondContact O-N 3.34Å |
| 1081 | L | 88.9 | Confident | 88.2 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 179.5 | -64.8 | 163.9 | 0 | 0 | 0 | 112.5 | E1077 L1078 N1083 E1084 Q1085 L1129 R1132 L1136 | E1077-L1081 HydrophobicContact CG-CD1 4.03Å; E1077-L1081 HydrophobicContact CG-CG 4.41Å; E1077-L1081 VanDerWaalsContact O-CG 3.26Å; E1077-L1081 WeakPolarHBondContact O-CG 3.39Å; E1077-L1081 PolarHBondContact O-N 3.39Å; L1078-L1081 PolarHBondContact O-N 3.34Å; L1081-N1083 VanDerWaalsContact C-N 3.34Å; L1081-E1084 PolarHBondContact O-N 2.66Å; L1081-Q1085 WeakPolarHBondContact O-CB 3.28Å; L1081-Q1085 PolarHBondContact O-N 3.08Å; L1081-L1129 HydrophobicContact CD2-CD2 3.56Å; L1081-R1132 HydrophobicContact CD1-CB 4.35Å; L1081-R1132 HydrophobicContact CD1-CG 3.64Å; L1081-R1132 HydrophobicContact CD2-CG 4.22Å; L1081-L1136 HydrophobicContact CD1-CD1 3.23Å |
| 1082 | E | 88.7 | Confident | 88.7 | Confident | 133 Ų | 133 | 68 Ų | 68 | 62% | 0.621 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 172.2 | -175 | -175.8 | -159.8 | 0 | 0 | 110.8 | L1078 Q1085 K1086 | L1078-E1082 WeakPolarHBondContact O-CB 3.27Å; L1078-E1082 PolarHBondContact O-N 3.46Å; E1082-Q1085 PolarHBondContact O-N 3.26Å; E1082-K1086 WeakPolarHBondContact O-CB 3.4Å; E1082-K1086 PolarHBondContact O-N 2.83Å |
| 1083 | N | 90.9 | Very high | 89.2 | Confident | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -36.2 | 175.3 | -177.7 | 52.1 | 0 | 0 | 0 | 112.5 | A1079 A1080 L1081 Q1087 | A1079-N1083 PolarHBondContact O-N 2.92Å; A1080-N1083 PolarHBondContact O-N 3.01Å; L1081-N1083 VanDerWaalsContact C-N 3.34Å; N1083-Q1087 PolarHBondContact ND2-NE2 3.45Å; N1083-Q1087 WeakPolarHBondContact O-CG 3.38Å; N1083-Q1087 PolarHBondContact O-N 2.56Å; N1083-Q1087 VanDerWaalsContact O-N 3.13Å; N1083-Q1087 PolarHBondContact O-NE2 2.66Å |
| 1084 | E | 89.8 | Confident | 89.6 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 173.9 | -163.4 | 178.1 | -178 | 0 | 0 | 111.8 | A1080 L1081 K1086 Q1087 I1088 K1125 L1129 | A1080-E1084 PolarHBondContact O-N 3.34Å; L1081-E1084 PolarHBondContact O-N 2.66Å; E1084-K1086 VanDerWaalsContact C-N 3.3Å; E1084-K1086 PolarHBondContact O-N 3.03Å; E1084-Q1087 WeakPolarHBondContact O-CB 3.44Å; E1084-Q1087 PolarHBondContact O-N 3.42Å; E1084-Q1087 VanDerWaalsContact O-N 3.08Å; E1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; E1084-I1088 PolarHBondContact O-N 3.29Å; E1084-K1125 WeakPolarHBondContact OE1-CE 3.48Å; E1084-K1125 IonicContact OE1-NZ 2.72Å; E1084-K1125 PolarHBondContact OE1-NZ 2.9Å; E1084-L1129 HydrophobicContact CB-CD1 3.96Å; E1084-L1129 HydrophobicContact CG-CD1 3.97Å |
| 1085 | Q | 88.3 | Confident | 89.8 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 19% | 0.192 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 174 | -178.6 | -178.4 | -26.2 | 0 | 0 | 110.7 | L1081 E1082 Q1087 I1088 D1089 L1129 M1133 | L1081-Q1085 WeakPolarHBondContact O-CB 3.28Å; L1081-Q1085 PolarHBondContact O-N 3.08Å; E1082-Q1085 PolarHBondContact O-N 3.26Å; Q1085-Q1087 VanDerWaalsContact C-N 3.3Å; Q1085-Q1087 PolarHBondContact O-N 3.38Å; Q1085-I1088 PolarHBondContact O-N 2.81Å; Q1085-D1089 WeakPolarHBondContact O-CB 3.47Å; Q1085-D1089 PolarHBondContact O-N 3Å; Q1085-L1129 HydrophobicContact CB-CD1 3.96Å; Q1085-M1133 VanDerWaalsContact OE1-CE 3.28Å |
| 1086 | K | 91.2 | Very high | 90.1 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.6 | -35.7 | 174.7 | -175 | 178.2 | -179.4 | 179.2 | 0 | 112.6 | E1082 E1084 T1090 | E1082-K1086 WeakPolarHBondContact O-CB 3.4Å; E1082-K1086 PolarHBondContact O-N 2.83Å; E1084-K1086 VanDerWaalsContact C-N 3.3Å; E1084-K1086 PolarHBondContact O-N 3.03Å; K1086-T1090 WeakPolarHBondContact O-CB 3.29Å; K1086-T1090 WeakPolarHBondContact O-CG2 3.31Å; K1086-T1090 PolarHBondContact O-N 2.95Å; K1086-T1090 PolarHBondContact O-OG1 2.89Å |
| 1087 | Q | 92 | Very high | 90.2 | Very high | 110 Ų | 110 | 65 Ų | 65 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | 173.2 | -72.3 | 171.8 | 61.2 | 0 | 0 | 112 | N1083 E1084 Q1085 T1090 R1091 | N1083-Q1087 PolarHBondContact ND2-NE2 3.45Å; N1083-Q1087 WeakPolarHBondContact O-CG 3.38Å; N1083-Q1087 PolarHBondContact O-N 2.56Å; N1083-Q1087 VanDerWaalsContact O-N 3.13Å; N1083-Q1087 PolarHBondContact O-NE2 2.66Å; E1084-Q1087 WeakPolarHBondContact O-CB 3.44Å; E1084-Q1087 PolarHBondContact O-N 3.42Å; E1084-Q1087 VanDerWaalsContact O-N 3.08Å; Q1085-Q1087 VanDerWaalsContact C-N 3.3Å; Q1085-Q1087 PolarHBondContact O-N 3.38Å; Q1087-T1090 WeakPolarHBondContact CA-OG1 3.39Å; Q1087-T1090 PolarHBondContact O-OG1 2.72Å; Q1087-T1090 VanDerWaalsContact O-OG1 3.11Å; Q1087-R1091 VanDerWaalsContact O-CB 3.31Å; Q1087-R1091 WeakPolarHBondContact O-CB 3.47Å; Q1087-R1091 PolarHBondContact O-N 2.72Å |
| 1088 | I | 90.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 174.2 | -65.1 | 179.6 | 0 | 0 | 0 | 110.7 | E1084 Q1085 T1090 R1091 A1092 L1122 K1125 K1126 L1129 | E1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; E1084-I1088 PolarHBondContact O-N 3.29Å; Q1085-I1088 PolarHBondContact O-N 2.81Å; I1088-T1090 PolarHBondContact O-N 2.87Å; I1088-R1091 PolarHBondContact O-N 2.88Å; I1088-A1092 WeakPolarHBondContact O-CB 3.45Å; I1088-A1092 PolarHBondContact O-N 2.9Å; I1088-L1122 HydrophobicContact CG2-CB 4.3Å; I1088-L1122 HydrophobicContact CG2-CD2 4.08Å; I1088-K1125 HydrophobicContact CD1-CB 3.91Å; I1088-K1125 HydrophobicContact CD1-CD 3.55Å; I1088-K1125 HydrophobicContact CD1-CG 3.52Å; I1088-K1125 HydrophobicContact CG1-CD 4.26Å; I1088-K1126 HydrophobicContact CG2-CB 4Å; I1088-L1129 HydrophobicContact CD1-CD1 3.46Å; I1088-L1129 VanDerWaalsContact CD1-CD1 3.46Å; I1088-L1129 HydrophobicContact CD1-CG 4.08Å; I1088-L1129 HydrophobicContact CG1-CD1 4.38Å |
| 1089 | D | 88.6 | Confident | 90.2 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | -178.5 | -81.2 | -24.1 | 0 | 0 | 0 | 112.6 | Q1085 A1093 K1126 | Q1085-D1089 WeakPolarHBondContact O-CB 3.47Å; Q1085-D1089 PolarHBondContact O-N 3Å; D1089-A1093 VanDerWaalsContact O-CB 3.28Å; D1089-A1093 WeakPolarHBondContact O-CB 3.32Å; D1089-A1093 PolarHBondContact O-N 2.88Å; D1089-K1126 VanDerWaalsContact CG-NZ 3.32Å; D1089-K1126 WeakPolarHBondContact OD1-CD 3.48Å; D1089-K1126 WeakPolarHBondContact OD1-CE 3.38Å; D1089-K1126 IonicContact OD1-NZ 2.67Å; D1089-K1126 PolarHBondContact OD1-NZ 3.1Å; D1089-K1126 IonicContact OD2-NZ 3.15Å; D1089-K1126 PolarHBondContact OD2-NZ 2.89Å |
| 1090 | T | 93.9 | Very high | 90 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 173 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | K1086 Q1087 I1088 L1094 | K1086-T1090 WeakPolarHBondContact O-CB 3.29Å; K1086-T1090 WeakPolarHBondContact O-CG2 3.31Å; K1086-T1090 PolarHBondContact O-N 2.95Å; K1086-T1090 PolarHBondContact O-OG1 2.89Å; Q1087-T1090 WeakPolarHBondContact CA-OG1 3.39Å; Q1087-T1090 PolarHBondContact O-OG1 2.72Å; Q1087-T1090 VanDerWaalsContact O-OG1 3.11Å; I1088-T1090 PolarHBondContact O-N 2.87Å; T1090-L1094 WeakPolarHBondContact O-CG 3.39Å; T1090-L1094 PolarHBondContact O-N 3.31Å |
| 1091 | R | 91.9 | Very high | 89.8 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 174.2 | -174.7 | 66.5 | -171.5 | -178.5 | 5.9 | 111.5 | Q1087 I1088 A1093 L1094 V1095 E1118 L1122 | Q1087-R1091 VanDerWaalsContact O-CB 3.31Å; Q1087-R1091 WeakPolarHBondContact O-CB 3.47Å; Q1087-R1091 PolarHBondContact O-N 2.72Å; I1088-R1091 PolarHBondContact O-N 2.88Å; R1091-A1093 VanDerWaalsContact C-N 3.35Å; R1091-A1093 PolarHBondContact O-N 2.79Å; R1091-L1094 WeakPolarHBondContact O-CB 3.41Å; R1091-L1094 PolarHBondContact O-N 2.86Å; R1091-L1094 VanDerWaalsContact O-N 3.07Å; R1091-V1095 HydrophobicContact CG-CG2 4.37Å; R1091-V1095 WeakPolarHBondContact O-CG2 3.34Å; R1091-V1095 PolarHBondContact O-N 3.46Å; R1091-E1118 IonicContact CZ-OE1 2.76Å; R1091-E1118 IonicContact CZ-OE2 3.18Å; R1091-E1118 IonicContact NE-OE1 3.72Å; R1091-E1118 PolarHBondContact NE-OE1 2.85Å; R1091-E1118 IonicContact NE-OE2 2.66Å; R1091-E1118 IonicContact NH2-OE1 3.96Å; R1091-E1118 PolarHBondContact NH2-OE1 3.16Å; R1091-E1118 IonicContact NH2-OE2 2.94Å; R1091-E1118 PolarHBondContact NH2-OE2 3.37Å; R1091-L1122 HydrophobicContact CB-CD1 4.4Å; R1091-L1122 HydrophobicContact CB-CD2 4.3Å; R1091-L1122 HydrophobicContact CG-CD1 3.81Å; R1091-L1122 HydrophobicContact CG-CD2 4.06Å |
| 1092 | A | 87.7 | Confident | 89.6 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I1088 L1094 V1095 E1096 W1119 L1122 | I1088-A1092 WeakPolarHBondContact O-CB 3.45Å; I1088-A1092 PolarHBondContact O-N 2.9Å; A1092-L1094 VanDerWaalsContact C-N 3.26Å; A1092-L1094 PolarHBondContact O-N 3.4Å; A1092-V1095 PolarHBondContact O-N 2.89Å; A1092-E1096 VanDerWaalsContact O-CB 3.25Å; A1092-E1096 WeakPolarHBondContact O-CB 3.26Å; A1092-E1096 PolarHBondContact O-N 2.85Å; A1092-W1119 HydrophobicContact CB-CZ3 4Å; A1092-L1122 HydrophobicContact CB-CB 4.5Å; A1092-L1122 HydrophobicContact CB-CD1 4.41Å |
| 1093 | A | 91 | Very high | 89.1 | Confident | 37 Ų | 37 | 65 Ų | 65 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -26 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | D1089 R1091 K1097 | D1089-A1093 VanDerWaalsContact O-CB 3.28Å; D1089-A1093 WeakPolarHBondContact O-CB 3.32Å; D1089-A1093 PolarHBondContact O-N 2.88Å; R1091-A1093 VanDerWaalsContact C-N 3.35Å; R1091-A1093 PolarHBondContact O-N 2.79Å; A1093-K1097 WeakPolarHBondContact O-CB 3.46Å; A1093-K1097 VanDerWaalsContact O-CD 3.27Å; A1093-K1097 WeakPolarHBondContact O-CD 3.33Å; A1093-K1097 WeakPolarHBondContact O-CG 3.46Å; A1093-K1097 PolarHBondContact O-N 3.38Å |
| 1094 | L | 93.1 | Very high | 88.7 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 56% | 0.555 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -77 | -46.6 | 171.1 | -69.7 | 170.3 | 0 | 0 | 0 | 111.4 | T1090 R1091 A1092 E1096 K1097 R1098 | T1090-L1094 WeakPolarHBondContact O-CG 3.39Å; T1090-L1094 PolarHBondContact O-N 3.31Å; R1091-L1094 WeakPolarHBondContact O-CB 3.41Å; R1091-L1094 PolarHBondContact O-N 2.86Å; R1091-L1094 VanDerWaalsContact O-N 3.07Å; A1092-L1094 VanDerWaalsContact C-N 3.26Å; A1092-L1094 PolarHBondContact O-N 3.4Å; L1094-E1096 VanDerWaalsContact C-N 3.34Å; L1094-E1096 PolarHBondContact O-N 2.9Å; L1094-K1097 PolarHBondContact O-N 3.09Å; L1094-R1098 PolarHBondContact O-N 2.92Å |
| 1095 | V | 90.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | R1091 A1092 R1098 L1099 M1115 E1118 W1119 L1122 | R1091-V1095 HydrophobicContact CG-CG2 4.37Å; R1091-V1095 WeakPolarHBondContact O-CG2 3.34Å; R1091-V1095 PolarHBondContact O-N 3.46Å; A1092-V1095 PolarHBondContact O-N 2.89Å; V1095-R1098 PolarHBondContact O-N 2.99Å; V1095-L1099 WeakPolarHBondContact O-CB 3.24Å; V1095-L1099 PolarHBondContact O-N 3.11Å; V1095-M1115 HydrophobicContact CB-CE 3.9Å; V1095-M1115 HydrophobicContact CG1-CE 3.82Å; V1095-M1115 VanDerWaalsContact CG1-O 3.31Å; V1095-M1115 WeakPolarHBondContact CG1-O 3.47Å; V1095-M1115 HydrophobicContact CG2-CE 3.67Å; V1095-E1118 VanDerWaalsContact CG2-CD 3.48Å; V1095-E1118 HydrophobicContact CG2-CG 4.05Å; V1095-E1118 WeakPolarHBondContact CG2-OE2 3.12Å; V1095-W1119 HydrophobicContact CG1-CB 3.83Å; V1095-W1119 HydrophobicContact CG1-CE3 4.11Å; V1095-L1122 HydrophobicContact CB-CD1 4.21Å; V1095-L1122 HydrophobicContact CG2-CD1 3.69Å |
| 1096 | E | 90.9 | Very high | 87.6 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 178.2 | -158.2 | -151.2 | 169.1 | 0 | 0 | 111.7 | L534 A1092 L1094 R1098 L1099 R1100 W1119 | L534-E1096 HydrophobicContact CD2-CG 3.52Å; A1092-E1096 VanDerWaalsContact O-CB 3.25Å; A1092-E1096 WeakPolarHBondContact O-CB 3.26Å; A1092-E1096 PolarHBondContact O-N 2.85Å; L1094-E1096 VanDerWaalsContact C-N 3.34Å; L1094-E1096 PolarHBondContact O-N 2.9Å; E1096-R1098 VanDerWaalsContact C-N 3.33Å; E1096-R1098 PolarHBondContact O-N 3.08Å; E1096-L1099 PolarHBondContact O-N 3.19Å; E1096-R1100 WeakPolarHBondContact O-CB 3.37Å; E1096-R1100 WeakPolarHBondContact O-CG 3.48Å; E1096-R1100 PolarHBondContact O-N 2.64Å; E1096-R1100 IonicContact OE1-CZ 3.12Å; E1096-R1100 IonicContact OE1-NE 2.73Å; E1096-R1100 PolarHBondContact OE1-NE 3.5Å; E1096-R1100 IonicContact OE1-NH2 3.16Å; E1096-R1100 PolarHBondContact OE1-NH2 3.09Å; E1096-R1100 IonicContact OE2-CZ 2.69Å; E1096-R1100 IonicContact OE2-NH2 3.52Å; E1096-R1100 PolarHBondContact OE2-NH2 2.84Å; E1096-W1119 HydrophobicContact CB-CE3 4.29Å; E1096-W1119 HydrophobicContact CB-CH2 4.15Å; E1096-W1119 HydrophobicContact CB-CZ3 3.69Å; E1096-W1119 HydrophobicContact CG-CH2 3.88Å; E1096-W1119 HydrophobicContact CG-CZ3 3.93Å |
| 1097 | K | 90.7 | Very high | 86.6 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 176.8 | -75.4 | 170 | -172.1 | 171.3 | 0 | 111.8 | A1093 L1094 Y1101 | A1093-K1097 WeakPolarHBondContact O-CB 3.46Å; A1093-K1097 VanDerWaalsContact O-CD 3.27Å; A1093-K1097 WeakPolarHBondContact O-CD 3.33Å; A1093-K1097 WeakPolarHBondContact O-CG 3.46Å; A1093-K1097 PolarHBondContact O-N 3.38Å; L1094-K1097 PolarHBondContact O-N 3.09Å; K1097-Y1101 WeakPolarHBondContact O-CB 3.43Å; K1097-Y1101 PolarHBondContact O-N 2.75Å; K1097-Y1101 VanDerWaalsContact O-N 3.09Å |
| 1098 | R | 89.2 | Confident | 85.8 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 177.1 | -179 | 57 | 177 | -165.4 | 0.6 | 111.5 | L1094 V1095 E1096 Y1101 L1102 E1111 M1115 | L1094-R1098 PolarHBondContact O-N 2.92Å; V1095-R1098 PolarHBondContact O-N 2.99Å; E1096-R1098 VanDerWaalsContact C-N 3.33Å; E1096-R1098 PolarHBondContact O-N 3.08Å; R1098-Y1101 WeakPolarHBondContact O-CB 3.38Å; R1098-Y1101 PolarHBondContact O-N 2.78Å; R1098-L1102 HydrophobicContact CG-CD1 3.96Å; R1098-L1102 HydrophobicContact CG-CG 4.49Å; R1098-L1102 VanDerWaalsContact O-CG 3.3Å; R1098-L1102 WeakPolarHBondContact O-CG 3.45Å; R1098-L1102 PolarHBondContact O-N 3.41Å; R1098-E1111 IonicContact CZ-OE2 3.07Å; R1098-E1111 IonicContact NE-OE2 2.81Å; R1098-E1111 IonicContact NH2-OE2 2.91Å; R1098-E1111 PolarHBondContact NH2-OE2 2.8Å; R1098-M1115 HydrophobicContact CB-CE 4.06Å; R1098-M1115 HydrophobicContact CB-SD 4.48Å; R1098-M1115 HydrophobicContact CG-CE 4.07Å; R1098-M1115 HydrophobicContact CG-CG 3.96Å; R1098-M1115 HydrophobicContact CG-SD 3.83Å |
| 1099 | L | 86.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 179.5 | -175.3 | 54.9 | 0 | 0 | 0 | 111 | L534 V1095 E1096 Y1101 L1102 M1103 E1112 M1115 M1116 W1119 | L534-L1099 HydrophobicContact CD1-CD2 3.63Å; L534-L1099 HydrophobicContact CD1-CG 4.28Å; L534-L1099 HydrophobicContact CD2-CD2 4.33Å; V1095-L1099 WeakPolarHBondContact O-CB 3.24Å; V1095-L1099 PolarHBondContact O-N 3.11Å; E1096-L1099 PolarHBondContact O-N 3.19Å; L1099-Y1101 PolarHBondContact O-N 3.38Å; L1099-L1102 PolarHBondContact O-N 3.1Å; L1099-M1103 HydrophobicContact CD1-CG 4.27Å; L1099-M1103 HydrophobicContact CD1-SD 4.12Å; L1099-M1103 HydrophobicContact CG-CG 4.49Å; L1099-M1103 HydrophobicContact CG-SD 3.77Å; L1099-M1103 WeakPolarHBondContact O-CB 3.11Å; L1099-M1103 WeakPolarHBondContact O-CG 3.43Å; L1099-M1103 PolarHBondContact O-N 2.76Å; L1099-E1112 HydrophobicContact CD1-CG 4.33Å; L1099-M1115 HydrophobicContact CB-CB 4.46Å; L1099-M1115 HydrophobicContact CD1-CB 4.27Å; L1099-M1116 HydrophobicContact CD1-CB 4.17Å; L1099-M1116 HydrophobicContact CD2-CB 4.3Å; L1099-W1119 HydrophobicContact CD2-CB 4.18Å; L1099-W1119 HydrophobicContact CD2-CG 4.29Å |
| 1100 | R | 85.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 70 Ų | 70 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 171.1 | -67.3 | -162.7 | -127.9 | 127.8 | -14.1 | 111.6 | E1096 L1102 M1103 D1104 | E1096-R1100 WeakPolarHBondContact O-CB 3.37Å; E1096-R1100 WeakPolarHBondContact O-CG 3.48Å; E1096-R1100 PolarHBondContact O-N 2.64Å; E1096-R1100 IonicContact OE1-CZ 3.12Å; E1096-R1100 IonicContact OE1-NE 2.73Å; E1096-R1100 PolarHBondContact OE1-NE 3.5Å; E1096-R1100 IonicContact OE1-NH2 3.16Å; E1096-R1100 PolarHBondContact OE1-NH2 3.09Å; E1096-R1100 IonicContact OE2-CZ 2.69Å; E1096-R1100 IonicContact OE2-NH2 3.52Å; E1096-R1100 PolarHBondContact OE2-NH2 2.84Å; R1100-L1102 VanDerWaalsContact C-N 3.33Å; R1100-L1102 PolarHBondContact O-N 3.28Å; R1100-M1103 PolarHBondContact O-N 3.08Å; R1100-D1104 WeakPolarHBondContact O-CB 3.47Å; R1100-D1104 VanDerWaalsContact O-CG 3.27Å; R1100-D1104 PolarHBondContact O-N 2.89Å |
| 1101 | Y | 86.9 | Confident | 84.1 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 43% | 0.431 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 176 | 175 | -89.7 | 0 | 0 | 0 | 113.2 | K1097 R1098 L1099 T1105 R1107 | K1097-Y1101 WeakPolarHBondContact O-CB 3.43Å; K1097-Y1101 PolarHBondContact O-N 2.75Å; K1097-Y1101 VanDerWaalsContact O-N 3.09Å; R1098-Y1101 WeakPolarHBondContact O-CB 3.38Å; R1098-Y1101 PolarHBondContact O-N 2.78Å; L1099-Y1101 PolarHBondContact O-N 3.38Å; Y1101-T1105 HydrophobicContact CD2-CG2 4.3Å; Y1101-T1105 HydrophobicContact CE1-CG2 4.17Å; Y1101-T1105 HydrophobicContact CE2-CG2 3.91Å; Y1101-T1105 WeakPolarHBondContact O-CB 3.38Å; Y1101-T1105 WeakPolarHBondContact O-CG2 3.37Å; Y1101-T1105 PolarHBondContact O-N 3.21Å; Y1101-T1105 PolarHBondContact O-OG1 3.41Å; Y1101-R1107 PolarHBondContact OH-NH2 3.2Å |
| 1102 | L | 84.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.5 | -43.9 | 177 | -70.5 | 168.2 | 0 | 0 | 0 | 111.5 | R1098 L1099 R1100 D1104 T1105 G1106 N1108 E1111 E1112 M1115 | R1098-L1102 HydrophobicContact CG-CD1 3.96Å; R1098-L1102 HydrophobicContact CG-CG 4.49Å; R1098-L1102 VanDerWaalsContact O-CG 3.3Å; R1098-L1102 WeakPolarHBondContact O-CG 3.45Å; R1098-L1102 PolarHBondContact O-N 3.41Å; L1099-L1102 PolarHBondContact O-N 3.1Å; R1100-L1102 VanDerWaalsContact C-N 3.33Å; R1100-L1102 PolarHBondContact O-N 3.28Å; L1102-D1104 PolarHBondContact O-N 3.08Å; L1102-T1105 PolarHBondContact O-N 3.11Å; L1102-G1106 WeakPolarHBondContact O-CA 3.35Å; L1102-G1106 PolarHBondContact O-N 3.23Å; L1102-N1108 HydrophobicContact CD2-CB 4.02Å; L1102-E1111 HydrophobicContact CD1-CB 3.79Å; L1102-E1111 HydrophobicContact CD2-CB 4.21Å; L1102-E1112 HydrophobicContact CB-CB 4.33Å; L1102-M1115 HydrophobicContact CD1-CB 4.46Å; L1102-M1115 HydrophobicContact CD1-CG 3.78Å |
| 1103 | M | 77.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -21.8 | 175.8 | -72 | 163.9 | 51.9 | 0 | 0 | 114.4 | K533 L534 M537 L1099 R1100 | K533-M1103 HydrophobicContact CB-CE 4.4Å; K533-M1103 HydrophobicContact CD-CE 3.72Å; K533-M1103 HydrophobicContact CG-CE 3.66Å; K533-M1103 PolarHBondContact NZ-O 3.42Å; L534-M1103 HydrophobicContact CB-CE 4.41Å; L534-M1103 HydrophobicContact CD1-SD 4.15Å; M537-M1103 HydrophobicContact CE-CE 3.39Å; M537-M1103 HydrophobicContact CE-CG 4.06Å; M537-M1103 HydrophobicContact CE-SD 3.45Å; M537-M1103 WeakPolarHBondContact CE-SD 3.43Å; M537-M1103 HydrophobicContact SD-CE 4.14Å; L1099-M1103 HydrophobicContact CD1-CG 4.27Å; L1099-M1103 HydrophobicContact CD1-SD 4.12Å; L1099-M1103 HydrophobicContact CG-CG 4.49Å; L1099-M1103 HydrophobicContact CG-SD 3.77Å; L1099-M1103 WeakPolarHBondContact O-CB 3.11Å; L1099-M1103 WeakPolarHBondContact O-CG 3.43Å; L1099-M1103 PolarHBondContact O-N 2.76Å; R1100-M1103 PolarHBondContact O-N 3.08Å |
| 1104 | D | 81.5 | Confident | 82.5 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -99.5 | -26.8 | 179.8 | -67.9 | -16.9 | 0 | 0 | 0 | 112.5 | K533 R1100 L1102 | K533-D1104 IonicContact NZ-OD1 3.77Å; K533-D1104 PolarHBondContact NZ-OD1 2.81Å; R1100-D1104 WeakPolarHBondContact O-CB 3.47Å; R1100-D1104 VanDerWaalsContact O-CG 3.27Å; R1100-D1104 PolarHBondContact O-N 2.89Å; L1102-D1104 PolarHBondContact O-N 3.08Å |
| 1105 | T | 80.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -90.5 | -27.2 | 173.4 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | Y1101 L1102 R1107 | Y1101-T1105 HydrophobicContact CD2-CG2 4.3Å; Y1101-T1105 HydrophobicContact CE1-CG2 4.17Å; Y1101-T1105 HydrophobicContact CE2-CG2 3.91Å; Y1101-T1105 WeakPolarHBondContact O-CB 3.38Å; Y1101-T1105 WeakPolarHBondContact O-CG2 3.37Å; Y1101-T1105 PolarHBondContact O-N 3.21Å; Y1101-T1105 PolarHBondContact O-OG1 3.41Å; L1102-T1105 PolarHBondContact O-N 3.11Å; T1105-R1107 WeakPolarHBondContact O-CG 3.35Å; T1105-R1107 PolarHBondContact O-N 2.89Å; T1105-R1107 VanDerWaalsContact O-N 3.12Å |
| 1106 | G | 74 | Confident | 81.7 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | trans | 63.1 | 14.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1102 | L1102-G1106 WeakPolarHBondContact O-CA 3.35Å; L1102-G1106 PolarHBondContact O-N 3.23Å | ||
| 1107 | R | 71.1 | Confident | 81 | Confident | 150 Ų | 150 | 64.5 Ų | 64.5 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | trans | -83.2 | -50.8 | -170.9 | -68.8 | -170.8 | -75.2 | -152.8 | 0.8 | 113.3 | Y1101 T1105 | Y1101-R1107 PolarHBondContact OH-NH2 3.2Å; T1105-R1107 WeakPolarHBondContact O-CG 3.35Å; T1105-R1107 PolarHBondContact O-N 2.89Å; T1105-R1107 VanDerWaalsContact O-N 3.12Å | ||
| 1108 | N | 75.5 | Confident | 80.7 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -111.6 | 93.7 | -167.6 | -58.6 | 12.4 | 0 | 0 | 0 | 109.4 | L1102 E1111 E1112 | L1102-N1108 HydrophobicContact CD2-CB 4.02Å; N1108-E1111 HydrophobicContact CB-CB 4.14Å; N1108-E1111 HydrophobicContact CB-CG 4.11Å; N1108-E1111 PolarHBondContact ND2-OE1 2.78Å; N1108-E1112 PolarHBondContact O-N 3.28Å; N1108-E1112 VanDerWaalsContact O-N 3.13Å | ||
| 1109 | T | 75.1 | Confident | 80.5 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.6 | -26.5 | -166.8 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | N444 E1113 | N444-T1109 HydrophobicContact CB-CG2 3.4Å; T1109-E1113 PolarHBondContact O-N 2.65Å |
| 1110 | E | 78.1 | Confident | 80 | Confident | 153 Ų | 153 | 59.3 Ų | 59.3 | 72% | 0.715 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -79.4 | -38 | 178.8 | -171 | 159.6 | -133.7 | 0 | 0 | 110.8 | E1113 A1114 | E1110-E1113 PolarHBondContact O-N 3.37Å; E1110-A1114 WeakPolarHBondContact O-CB 3.33Å; E1110-A1114 PolarHBondContact O-N 3.25Å |
| 1111 | E | 82.6 | Confident | 79.5 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 166.8 | -65.7 | 177.6 | -140.1 | 0 | 0 | 112 | R1098 L1102 N1108 E1113 A1114 M1115 | R1098-E1111 IonicContact CZ-OE2 3.07Å; R1098-E1111 IonicContact NE-OE2 2.81Å; R1098-E1111 IonicContact NH2-OE2 2.91Å; R1098-E1111 PolarHBondContact NH2-OE2 2.8Å; L1102-E1111 HydrophobicContact CD1-CB 3.79Å; L1102-E1111 HydrophobicContact CD2-CB 4.21Å; N1108-E1111 HydrophobicContact CB-CB 4.14Å; N1108-E1111 HydrophobicContact CB-CG 4.11Å; N1108-E1111 PolarHBondContact ND2-OE1 2.78Å; E1111-E1113 PolarHBondContact O-N 3.29Å; E1111-A1114 PolarHBondContact O-N 3.2Å; E1111-M1115 WeakPolarHBondContact O-CB 3.41Å; E1111-M1115 WeakPolarHBondContact O-CG 3.47Å; E1111-M1115 PolarHBondContact O-N 3.33Å |
| 1112 | E | 80.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 176.1 | -175 | -169.1 | 151.1 | 0 | 0 | 111.4 | N444 S446 L1099 L1102 N1108 M1116 | N444-E1112 PolarHBondContact ND2-OE1 3.13Å; N444-E1112 PolarHBondContact ND2-OE2 2.99Å; S446-E1112 WeakPolarHBondContact CB-OE1 3.47Å; S446-E1112 PolarHBondContact N-OE1 2.92Å; S446-E1112 VanDerWaalsContact N-OE1 3.08Å; S446-E1112 PolarHBondContact OG-OE1 3.39Å; L1099-E1112 HydrophobicContact CD1-CG 4.33Å; L1102-E1112 HydrophobicContact CB-CB 4.33Å; N1108-E1112 PolarHBondContact O-N 3.28Å; N1108-E1112 VanDerWaalsContact O-N 3.13Å; E1112-M1116 HydrophobicContact CG-CE 4.38Å; E1112-M1116 WeakPolarHBondContact O-CB 3.32Å; E1112-M1116 PolarHBondContact O-N 2.78Å |
| 1113 | E | 77.8 | Confident | 79.2 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 177.4 | -168.1 | 168.5 | 176.5 | 0 | 0 | 112.1 | L552 T1109 E1110 E1111 M1116 Q1117 | L552-E1113 HydrophobicContact CD2-CG 4.15Å; T1109-E1113 PolarHBondContact O-N 2.65Å; E1110-E1113 PolarHBondContact O-N 3.37Å; E1111-E1113 PolarHBondContact O-N 3.29Å; E1113-M1116 WeakPolarHBondContact O-CB 3.15Å; E1113-M1116 PolarHBondContact O-N 3.4Å; E1113-Q1117 WeakPolarHBondContact O-CG 3.32Å; E1113-Q1117 PolarHBondContact O-N 3.24Å |
| 1114 | A | 80.1 | Confident | 79.1 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E1110 E1111 M1116 Q1117 E1118 | E1110-A1114 WeakPolarHBondContact O-CB 3.33Å; E1110-A1114 PolarHBondContact O-N 3.25Å; E1111-A1114 PolarHBondContact O-N 3.2Å; A1114-M1116 PolarHBondContact O-N 2.95Å; A1114-Q1117 PolarHBondContact O-N 2.91Å; A1114-E1118 PolarHBondContact O-N 3.35Å |
| 1115 | M | 84.9 | Confident | 79 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 17% | 0.167 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -28.7 | 176.1 | -63.9 | -62 | -35.9 | 0 | 0 | 111.9 | V1095 R1098 L1099 L1102 E1111 W1119 | V1095-M1115 HydrophobicContact CB-CE 3.9Å; V1095-M1115 HydrophobicContact CG1-CE 3.82Å; V1095-M1115 VanDerWaalsContact CG1-O 3.31Å; V1095-M1115 WeakPolarHBondContact CG1-O 3.47Å; V1095-M1115 HydrophobicContact CG2-CE 3.67Å; R1098-M1115 HydrophobicContact CB-CE 4.06Å; R1098-M1115 HydrophobicContact CB-SD 4.48Å; R1098-M1115 HydrophobicContact CG-CE 4.07Å; R1098-M1115 HydrophobicContact CG-CG 3.96Å; R1098-M1115 HydrophobicContact CG-SD 3.83Å; L1099-M1115 HydrophobicContact CB-CB 4.46Å; L1099-M1115 HydrophobicContact CD1-CB 4.27Å; L1102-M1115 HydrophobicContact CD1-CB 4.46Å; L1102-M1115 HydrophobicContact CD1-CG 3.78Å; E1111-M1115 WeakPolarHBondContact O-CB 3.41Å; E1111-M1115 WeakPolarHBondContact O-CG 3.47Å; E1111-M1115 PolarHBondContact O-N 3.33Å; M1115-W1119 WeakPolarHBondContact O-CB 3.47Å; M1115-W1119 PolarHBondContact O-N 2.88Å |
| 1116 | M | 80.7 | Confident | 79 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.3 | -38.1 | 176.6 | -172.2 | -170.9 | -51 | 0 | 0 | 112.3 | A445 M537 Y541 L552 L1099 E1112 E1113 A1114 E1118 W1119 F1120 | A445-M1116 HydrophobicContact CB-CE 3.77Å; M537-M1116 HydrophobicContact CE-CE 4.43Å; Y541-M1116 HydrophobicContact CD2-SD 3.7Å; Y541-M1116 HydrophobicContact CE1-SD 4.15Å; Y541-M1116 HydrophobicContact CE2-CE 3.76Å; Y541-M1116 HydrophobicContact CE2-SD 3.2Å; Y541-M1116 WeakPolarHBondContact CE2-SD 3.35Å; Y541-M1116 HydrophobicContact CG-SD 4.37Å; L552-M1116 HydrophobicContact CD1-SD 4.31Å; L1099-M1116 HydrophobicContact CD1-CB 4.17Å; L1099-M1116 HydrophobicContact CD2-CB 4.3Å; E1112-M1116 HydrophobicContact CG-CE 4.38Å; E1112-M1116 WeakPolarHBondContact O-CB 3.32Å; E1112-M1116 PolarHBondContact O-N 2.78Å; E1113-M1116 WeakPolarHBondContact O-CB 3.15Å; E1113-M1116 PolarHBondContact O-N 3.4Å; A1114-M1116 PolarHBondContact O-N 2.95Å; M1116-E1118 VanDerWaalsContact C-N 3.33Å; M1116-W1119 WeakPolarHBondContact O-CB 3.17Å; M1116-W1119 PolarHBondContact O-N 3.13Å; M1116-F1120 HydrophobicContact CG-CD2 4.22Å; M1116-F1120 HydrophobicContact CG-CE2 3.86Å; M1116-F1120 WeakPolarHBondContact O-CD2 2.96Å; M1116-F1120 PolarHBondContact O-N 3.23Å; M1116-F1120 HydrophobicContact SD-CE2 4.38Å |
| 1117 | Q | 76.3 | Confident | 79.1 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 169.5 | -69.2 | 177.8 | 10.4 | 0 | 0 | 110.9 | L552 N553 E1113 A1114 W1119 F1120 M1121 | L552-Q1117 HydrophobicContact CB-CG 4.42Å; L552-Q1117 HydrophobicContact CD1-CG 4.49Å; N553-Q1117 PolarHBondContact O-NE2 3.13Å; E1113-Q1117 WeakPolarHBondContact O-CG 3.32Å; E1113-Q1117 PolarHBondContact O-N 3.24Å; A1114-Q1117 PolarHBondContact O-N 2.91Å; Q1117-W1119 PolarHBondContact O-N 3.23Å; Q1117-F1120 PolarHBondContact O-N 2.92Å; Q1117-M1121 WeakPolarHBondContact O-CG 3.28Å; Q1117-M1121 PolarHBondContact O-N 2.97Å |
| 1118 | E | 84.9 | Confident | 79.3 | Confident | 40 Ų | 40 | 58 Ų | 58 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.7 | -169 | -178.5 | -179 | 0 | 0 | 112.1 | R1091 V1095 A1114 M1116 F1120 M1121 L1122 | R1091-E1118 IonicContact CZ-OE1 2.76Å; R1091-E1118 IonicContact CZ-OE2 3.18Å; R1091-E1118 IonicContact NE-OE1 3.72Å; R1091-E1118 PolarHBondContact NE-OE1 2.85Å; R1091-E1118 IonicContact NE-OE2 2.66Å; R1091-E1118 IonicContact NH2-OE1 3.96Å; R1091-E1118 PolarHBondContact NH2-OE1 3.16Å; R1091-E1118 IonicContact NH2-OE2 2.94Å; R1091-E1118 PolarHBondContact NH2-OE2 3.37Å; V1095-E1118 VanDerWaalsContact CG2-CD 3.48Å; V1095-E1118 HydrophobicContact CG2-CG 4.05Å; V1095-E1118 WeakPolarHBondContact CG2-OE2 3.12Å; A1114-E1118 PolarHBondContact O-N 3.35Å; M1116-E1118 VanDerWaalsContact C-N 3.33Å; E1118-F1120 PolarHBondContact O-N 3.46Å; E1118-M1121 PolarHBondContact O-N 3.46Å; E1118-L1122 HydrophobicContact CG-CD1 3.93Å; E1118-L1122 HydrophobicContact CG-CG 4.38Å; E1118-L1122 WeakPolarHBondContact O-CG 3.24Å; E1118-L1122 PolarHBondContact O-N 3.44Å |
| 1119 | W | 84.6 | Confident | 79.4 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 174.6 | 178 | -108.6 | 0 | 0 | 0 | 112.2 | L534 A1092 V1095 E1096 L1099 M1115 M1116 Q1117 M1121 L1122 V1123 | L534-W1119 HydrophobicContact CD2-CD2 4.48Å; L534-W1119 HydrophobicContact CD2-CH2 4.46Å; L534-W1119 HydrophobicContact CD2-CZ2 3.95Å; A1092-W1119 HydrophobicContact CB-CZ3 4Å; V1095-W1119 HydrophobicContact CG1-CB 3.83Å; V1095-W1119 HydrophobicContact CG1-CE3 4.11Å; E1096-W1119 HydrophobicContact CB-CE3 4.29Å; E1096-W1119 HydrophobicContact CB-CH2 4.15Å; E1096-W1119 HydrophobicContact CB-CZ3 3.69Å; E1096-W1119 HydrophobicContact CG-CH2 3.88Å; E1096-W1119 HydrophobicContact CG-CZ3 3.93Å; L1099-W1119 HydrophobicContact CD2-CB 4.18Å; L1099-W1119 HydrophobicContact CD2-CG 4.29Å; M1115-W1119 WeakPolarHBondContact O-CB 3.47Å; M1115-W1119 PolarHBondContact O-N 2.88Å; M1116-W1119 WeakPolarHBondContact O-CB 3.17Å; M1116-W1119 PolarHBondContact O-N 3.13Å; Q1117-W1119 PolarHBondContact O-N 3.23Å; W1119-M1121 PolarHBondContact O-N 2.88Å; W1119-L1122 PolarHBondContact O-N 3.39Å; W1119-V1123 HydrophobicContact CD2-CG2 4.35Å; W1119-V1123 HydrophobicContact CZ2-CG2 4.32Å; W1119-V1123 WeakPolarHBondContact O-CG2 3.48Å; W1119-V1123 PolarHBondContact O-N 2.63Å |
| 1120 | F | 75.9 | Confident | 79.6 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 175.6 | -78.3 | -66 | 0 | 0 | 0 | 112.8 | T538 Y541 L552 M1116 Q1117 E1118 L1122 V1123 N1124 | T538-F1120 HydrophobicContact CG2-CD1 4.24Å; T538-F1120 HydrophobicContact CG2-CE1 3.42Å; T538-F1120 VanDerWaalsContact CG2-CE1 3.42Å; T538-F1120 HydrophobicContact CG2-CZ 3.83Å; Y541-F1120 HydrophobicContact CD2-CZ 4.45Å; Y541-F1120 HydrophobicContact CG-CZ 4.43Å; L552-F1120 HydrophobicContact CD1-CD2 4.36Å; L552-F1120 HydrophobicContact CD1-CE2 4.13Å; M1116-F1120 HydrophobicContact CG-CD2 4.22Å; M1116-F1120 HydrophobicContact CG-CE2 3.86Å; M1116-F1120 WeakPolarHBondContact O-CD2 2.96Å; M1116-F1120 PolarHBondContact O-N 3.23Å; M1116-F1120 HydrophobicContact SD-CE2 4.38Å; Q1117-F1120 PolarHBondContact O-N 2.92Å; E1118-F1120 PolarHBondContact O-N 3.46Å; F1120-L1122 PolarHBondContact O-N 3.43Å; F1120-V1123 PolarHBondContact O-N 3.34Å; F1120-N1124 WeakPolarHBondContact O-CB 3.44Å; F1120-N1124 PolarHBondContact O-N 2.91Å |
| 1121 | M | 76.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.4 | -67.6 | -163.1 | -60.3 | 0 | 0 | 112 | V554 Q1117 E1118 W1119 N1124 K1125 | V554-M1121 HydrophobicContact CG1-CG 4.32Å; V554-M1121 HydrophobicContact CG1-SD 3.88Å; Q1117-M1121 WeakPolarHBondContact O-CG 3.28Å; Q1117-M1121 PolarHBondContact O-N 2.97Å; E1118-M1121 PolarHBondContact O-N 3.46Å; W1119-M1121 PolarHBondContact O-N 2.88Å; M1121-N1124 PolarHBondContact O-N 3.48Å; M1121-K1125 VanDerWaalsContact O-CB 3.26Å; M1121-K1125 WeakPolarHBondContact O-CB 3.29Å; M1121-K1125 PolarHBondContact O-N 3Å |
| 1122 | L | 83.3 | Confident | 79.4 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -39 | 179.8 | -69.5 | 166.2 | 0 | 0 | 0 | 112.3 | I1088 R1091 A1092 V1095 E1118 W1119 F1120 K1126 | I1088-L1122 HydrophobicContact CG2-CB 4.3Å; I1088-L1122 HydrophobicContact CG2-CD2 4.08Å; R1091-L1122 HydrophobicContact CB-CD1 4.4Å; R1091-L1122 HydrophobicContact CB-CD2 4.3Å; R1091-L1122 HydrophobicContact CG-CD1 3.81Å; R1091-L1122 HydrophobicContact CG-CD2 4.06Å; A1092-L1122 HydrophobicContact CB-CB 4.5Å; A1092-L1122 HydrophobicContact CB-CD1 4.41Å; V1095-L1122 HydrophobicContact CB-CD1 4.21Å; V1095-L1122 HydrophobicContact CG2-CD1 3.69Å; E1118-L1122 HydrophobicContact CG-CD1 3.93Å; E1118-L1122 HydrophobicContact CG-CG 4.38Å; E1118-L1122 WeakPolarHBondContact O-CG 3.24Å; E1118-L1122 PolarHBondContact O-N 3.44Å; W1119-L1122 PolarHBondContact O-N 3.39Å; F1120-L1122 PolarHBondContact O-N 3.43Å; L1122-K1126 VanDerWaalsContact O-CB 3.28Å; L1122-K1126 WeakPolarHBondContact O-CB 3.41Å; L1122-K1126 PolarHBondContact O-N 3.16Å |
| 1123 | V | 80.4 | Confident | 79.3 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 173.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | W1119 F1120 K1125 K1126 N1127 | W1119-V1123 HydrophobicContact CD2-CG2 4.35Å; W1119-V1123 HydrophobicContact CZ2-CG2 4.32Å; W1119-V1123 WeakPolarHBondContact O-CG2 3.48Å; W1119-V1123 PolarHBondContact O-N 2.63Å; F1120-V1123 PolarHBondContact O-N 3.34Å; V1123-K1125 PolarHBondContact O-N 2.92Å; V1123-K1126 PolarHBondContact O-N 3.13Å; V1123-N1127 VanDerWaalsContact O-CG 3.27Å; V1123-N1127 PolarHBondContact O-N 3.26Å; V1123-N1127 PolarHBondContact O-OD1 2.93Å |
| 1124 | N | 75.2 | Confident | 79.4 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.3 | -71.5 | -7.4 | 0 | 0 | 0 | 111.7 | F1120 M1121 N1127 A1128 | F1120-N1124 WeakPolarHBondContact O-CB 3.44Å; F1120-N1124 PolarHBondContact O-N 2.91Å; M1121-N1124 PolarHBondContact O-N 3.48Å; N1124-N1127 PolarHBondContact O-N 3.5Å; N1124-A1128 PolarHBondContact O-N 2.81Å |
| 1125 | K | 79.6 | Confident | 79.5 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 177.9 | -164.2 | -174.3 | 174.8 | -169.1 | 0 | 112 | E1084 I1088 M1121 V1123 A1128 L1129 | E1084-K1125 WeakPolarHBondContact OE1-CE 3.48Å; E1084-K1125 IonicContact OE1-NZ 2.72Å; E1084-K1125 PolarHBondContact OE1-NZ 2.9Å; I1088-K1125 HydrophobicContact CD1-CB 3.91Å; I1088-K1125 HydrophobicContact CD1-CD 3.55Å; I1088-K1125 HydrophobicContact CD1-CG 3.52Å; I1088-K1125 HydrophobicContact CG1-CD 4.26Å; M1121-K1125 VanDerWaalsContact O-CB 3.26Å; M1121-K1125 WeakPolarHBondContact O-CB 3.29Å; M1121-K1125 PolarHBondContact O-N 3Å; V1123-K1125 PolarHBondContact O-N 2.92Å; K1125-A1128 PolarHBondContact O-N 3.3Å; K1125-L1129 PolarHBondContact O-N 3.37Å |
| 1126 | K | 81.6 | Confident | 79.4 | Confident | 63 Ų | 63 | 53 Ų | 53 | 27% | 0.274 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 172.1 | -179.3 | 166.7 | 179.7 | 163.8 | 0 | 111.7 | I1088 D1089 L1122 V1123 A1128 L1129 I1130 | I1088-K1126 HydrophobicContact CG2-CB 4Å; D1089-K1126 VanDerWaalsContact CG-NZ 3.32Å; D1089-K1126 WeakPolarHBondContact OD1-CD 3.48Å; D1089-K1126 WeakPolarHBondContact OD1-CE 3.38Å; D1089-K1126 IonicContact OD1-NZ 2.67Å; D1089-K1126 PolarHBondContact OD1-NZ 3.1Å; D1089-K1126 IonicContact OD2-NZ 3.15Å; D1089-K1126 PolarHBondContact OD2-NZ 2.89Å; L1122-K1126 VanDerWaalsContact O-CB 3.28Å; L1122-K1126 WeakPolarHBondContact O-CB 3.41Å; L1122-K1126 PolarHBondContact O-N 3.16Å; V1123-K1126 PolarHBondContact O-N 3.13Å; K1126-A1128 VanDerWaalsContact C-N 3.32Å; K1126-A1128 PolarHBondContact O-N 3.12Å; K1126-L1129 PolarHBondContact O-N 3.04Å; K1126-I1130 HydrophobicContact CG-CD1 3.82Å; K1126-I1130 HydrophobicContact CG-CG1 4.44Å; K1126-I1130 WeakPolarHBondContact O-CG1 3.37Å; K1126-I1130 PolarHBondContact O-N 2.83Å |
| 1127 | N | 75.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 179 | -66.6 | -8.4 | 0 | 0 | 0 | 111.5 | V1123 N1124 I1130 R1131 | V1123-N1127 VanDerWaalsContact O-CG 3.27Å; V1123-N1127 PolarHBondContact O-N 3.26Å; V1123-N1127 PolarHBondContact O-OD1 2.93Å; N1124-N1127 PolarHBondContact O-N 3.5Å; N1127-I1130 PolarHBondContact O-N 2.79Å; N1127-R1131 PolarHBondContact O-N 2.88Å; N1127-R1131 VanDerWaalsContact O-N 3.09Å |
| 1128 | A | 74.9 | Confident | 79.7 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1124 K1125 K1126 R1131 R1132 | N1124-A1128 PolarHBondContact O-N 2.81Å; K1125-A1128 PolarHBondContact O-N 3.3Å; K1126-A1128 VanDerWaalsContact C-N 3.32Å; K1126-A1128 PolarHBondContact O-N 3.12Å; A1128-R1131 PolarHBondContact O-N 2.87Å; A1128-R1132 PolarHBondContact O-N 2.77Å; A1128-R1132 VanDerWaalsContact O-N 3.08Å |
| 1129 | L | 79.3 | Confident | 79.6 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.1 | -72.7 | -170.3 | 0 | 0 | 0 | 112.3 | L1081 E1084 Q1085 I1088 K1125 K1126 R1131 R1132 M1133 | L1081-L1129 HydrophobicContact CD2-CD2 3.56Å; E1084-L1129 HydrophobicContact CB-CD1 3.96Å; E1084-L1129 HydrophobicContact CG-CD1 3.97Å; Q1085-L1129 HydrophobicContact CB-CD1 3.96Å; I1088-L1129 HydrophobicContact CD1-CD1 3.46Å; I1088-L1129 VanDerWaalsContact CD1-CD1 3.46Å; I1088-L1129 HydrophobicContact CD1-CG 4.08Å; I1088-L1129 HydrophobicContact CG1-CD1 4.38Å; K1125-L1129 PolarHBondContact O-N 3.37Å; K1126-L1129 PolarHBondContact O-N 3.04Å; L1129-R1131 VanDerWaalsContact C-N 3.32Å; L1129-R1131 PolarHBondContact O-N 2.86Å; L1129-R1132 PolarHBondContact O-N 2.89Å; L1129-M1133 VanDerWaalsContact O-CB 3.29Å; L1129-M1133 WeakPolarHBondContact O-CB 3.22Å; L1129-M1133 PolarHBondContact O-N 2.82Å |
| 1130 | I | 78.4 | Confident | 79.6 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 179.2 | -70 | 165.7 | 0 | 0 | 0 | 110.6 | K1126 N1127 M1133 N1134 | K1126-I1130 HydrophobicContact CG-CD1 3.82Å; K1126-I1130 HydrophobicContact CG-CG1 4.44Å; K1126-I1130 WeakPolarHBondContact O-CG1 3.37Å; K1126-I1130 PolarHBondContact O-N 2.83Å; N1127-I1130 PolarHBondContact O-N 2.79Å; I1130-M1133 PolarHBondContact O-N 2.87Å; I1130-N1134 WeakPolarHBondContact O-CB 3.5Å; I1130-N1134 PolarHBondContact O-N 3.13Å; I1130-N1134 PolarHBondContact O-OD1 3.21Å |
| 1131 | R | 77.4 | Confident | 80 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.4 | -71.4 | -179.8 | 179.4 | 171 | -2 | 112.2 | N1127 A1128 L1129 N1134 Q1135 E1206 D1207 | N1127-R1131 PolarHBondContact O-N 2.88Å; N1127-R1131 VanDerWaalsContact O-N 3.09Å; A1128-R1131 PolarHBondContact O-N 2.87Å; L1129-R1131 VanDerWaalsContact C-N 3.32Å; L1129-R1131 PolarHBondContact O-N 2.86Å; R1131-N1134 PolarHBondContact O-N 3.37Å; R1131-Q1135 PolarHBondContact O-N 2.63Å; R1131-Q1135 VanDerWaalsContact O-N 3.1Å; R1131-E1206 IonicContact CZ-OE2 3.25Å; R1131-E1206 IonicContact NE-OE2 2.69Å; R1131-E1206 IonicContact NH2-OE2 3.15Å; R1131-E1206 PolarHBondContact NH2-OE2 2.96Å; R1131-D1207 IonicContact CZ-OD1 2.77Å; R1131-D1207 VanDerWaalsContact CZ-OD1 3.29Å; R1131-D1207 IonicContact CZ-OD2 2.67Å; R1131-D1207 IonicContact NH1-OD1 2.67Å; R1131-D1207 PolarHBondContact NH1-OD1 2.97Å; R1131-D1207 IonicContact NH1-OD2 3.26Å; R1131-D1207 PolarHBondContact NH1-OD2 3.08Å; R1131-D1207 IonicContact NH2-OD1 2.66Å; R1131-D1207 PolarHBondContact NH2-OD1 2.98Å |
| 1132 | R | 80.2 | Confident | 80.4 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.4 | -175.6 | 60.9 | 178.8 | 169.8 | 1.2 | 112.4 | E1077 L1081 A1128 L1129 Q1135 L1136 | E1077-R1132 IonicContact OE1-CZ 3.5Å; E1077-R1132 IonicContact OE1-NE 2.6Å; E1077-R1132 PolarHBondContact OE1-NE 3.01Å; E1077-R1132 IonicContact OE1-NH2 2.86Å; E1077-R1132 PolarHBondContact OE1-NH2 2.96Å; E1077-R1132 IonicContact OE2-CZ 2.71Å; E1077-R1132 IonicContact OE2-NE 2.92Å; E1077-R1132 IonicContact OE2-NH2 2.83Å; E1077-R1132 PolarHBondContact OE2-NH2 2.94Å; L1081-R1132 HydrophobicContact CD1-CB 4.35Å; L1081-R1132 HydrophobicContact CD1-CG 3.64Å; L1081-R1132 HydrophobicContact CD2-CG 4.22Å; A1128-R1132 PolarHBondContact O-N 2.77Å; A1128-R1132 VanDerWaalsContact O-N 3.08Å; L1129-R1132 PolarHBondContact O-N 2.89Å; R1132-Q1135 PolarHBondContact O-N 3.24Å; R1132-L1136 HydrophobicContact CG-CD1 4.05Å; R1132-L1136 PolarHBondContact O-N 2.97Å; R1132-L1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | M | 77.9 | Confident | 80.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 176.6 | -174.1 | 174.1 | 64.9 | 0 | 0 | 111.9 | L1078 Q1085 L1129 I1130 L1136 S1137 | L1078-M1133 HydrophobicContact CD2-CG 3.78Å; Q1085-M1133 VanDerWaalsContact OE1-CE 3.28Å; L1129-M1133 VanDerWaalsContact O-CB 3.29Å; L1129-M1133 WeakPolarHBondContact O-CB 3.22Å; L1129-M1133 PolarHBondContact O-N 2.82Å; I1130-M1133 PolarHBondContact O-N 2.87Å; M1133-L1136 PolarHBondContact O-N 3.34Å; M1133-S1137 WeakPolarHBondContact O-CB 3.4Å; M1133-S1137 PolarHBondContact O-N 3.04Å |
| 1134 | N | 80.5 | Confident | 80.7 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.3 | -73.8 | -10.4 | 0 | 0 | 0 | 111.5 | I1130 R1131 L1136 S1137 L1138 Q1199 | I1130-N1134 WeakPolarHBondContact O-CB 3.5Å; I1130-N1134 PolarHBondContact O-N 3.13Å; I1130-N1134 PolarHBondContact O-OD1 3.21Å; R1131-N1134 PolarHBondContact O-N 3.37Å; N1134-L1136 PolarHBondContact O-N 2.83Å; N1134-S1137 PolarHBondContact O-N 3.45Å; N1134-L1138 PolarHBondContact O-N 3.42Å; N1134-Q1199 PolarHBondContact ND2-NE2 3.45Å |
| 1135 | Q | 80.8 | Confident | 81.3 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 177.5 | -173.1 | 177.3 | 55.4 | 0 | 0 | 111.7 | R1131 R1132 L1138 L1139 | R1131-Q1135 PolarHBondContact O-N 2.63Å; R1131-Q1135 VanDerWaalsContact O-N 3.1Å; R1132-Q1135 PolarHBondContact O-N 3.24Å; Q1135-L1138 PolarHBondContact O-N 3.02Å; Q1135-L1139 PolarHBondContact O-N 2.95Å; Q1135-L1139 VanDerWaalsContact O-N 3.14Å |
| 1136 | L | 83.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.8 | -38.7 | 179.4 | -70.2 | 158.1 | 0 | 0 | 0 | 113.2 | V1074 E1077 L1078 L1081 R1132 M1133 N1134 L1138 L1139 E1140 | V1074-L1136 HydrophobicContact CB-CD2 4.44Å; V1074-L1136 HydrophobicContact CG1-CB 4.26Å; V1074-L1136 HydrophobicContact CG1-CD2 4.17Å; V1074-L1136 VanDerWaalsContact CG1-O 3.28Å; V1074-L1136 WeakPolarHBondContact CG1-O 3.41Å; V1074-L1136 HydrophobicContact CG2-CD2 4.22Å; E1077-L1136 HydrophobicContact CB-CD1 3.98Å; E1077-L1136 HydrophobicContact CB-CD2 4.34Å; E1077-L1136 HydrophobicContact CG-CD1 3.77Å; L1078-L1136 HydrophobicContact CD1-CB 4.3Å; L1078-L1136 HydrophobicContact CD2-CB 3.62Å; L1078-L1136 HydrophobicContact CG-CB 3.73Å; L1081-L1136 HydrophobicContact CD1-CD1 3.23Å; R1132-L1136 HydrophobicContact CG-CD1 4.05Å; R1132-L1136 PolarHBondContact O-N 2.97Å; R1132-L1136 VanDerWaalsContact O-N 3.08Å; M1133-L1136 PolarHBondContact O-N 3.34Å; N1134-L1136 PolarHBondContact O-N 2.83Å; L1136-L1138 PolarHBondContact O-N 3.27Å; L1136-L1139 HydrophobicContact CD2-CD1 4.37Å; L1136-L1139 PolarHBondContact O-N 3.06Å; L1136-E1140 PolarHBondContact O-N 3.03Å |
| 1137 | S | 82.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 49 Ų | 49 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -25.7 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | M1133 N1134 K1141 | M1133-S1137 WeakPolarHBondContact O-CB 3.4Å; M1133-S1137 PolarHBondContact O-N 3.04Å; N1134-S1137 PolarHBondContact O-N 3.45Å; S1137-K1141 VanDerWaalsContact O-CD 3.29Å; S1137-K1141 WeakPolarHBondContact O-CD 3.49Å; S1137-K1141 WeakPolarHBondContact O-CE 3.5Å; S1137-K1141 VanDerWaalsContact O-CG 3.24Å; S1137-K1141 WeakPolarHBondContact O-CG 3.38Å; S1137-K1141 PolarHBondContact O-N 3.44Å; S1137-K1141 WeakPolarHBondContact OG-CE 3.49Å; S1137-K1141 PolarHBondContact OG-NZ 3.08Å |
| 1138 | L | 80.9 | Confident | 82.6 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78.4 | -41.8 | 169.3 | -175.7 | 132 | 0 | 0 | 0 | 113.3 | N1134 Q1135 L1136 E1140 K1141 E1142 L1192 L1196 | N1134-L1138 PolarHBondContact O-N 3.42Å; Q1135-L1138 PolarHBondContact O-N 3.02Å; L1136-L1138 PolarHBondContact O-N 3.27Å; L1138-E1140 PolarHBondContact O-N 3.36Å; L1138-K1141 CarbonylContact O-C 3.59Å; L1138-K1141 WeakPolarHBondContact O-CA 3.28Å; L1138-K1141 WeakPolarHBondContact O-CB 3.4Å; L1138-K1141 PolarHBondContact O-N 3.02Å; L1138-E1142 PolarHBondContact O-N 2.84Å; L1138-L1192 HydrophobicContact CD1-CB 4.2Å; L1138-L1192 HydrophobicContact CD1-CD2 4.43Å; L1138-L1196 HydrophobicContact CB-CD2 4.48Å; L1138-L1196 HydrophobicContact CD1-CD1 3.77Å; L1138-L1196 HydrophobicContact CD1-CD2 3.67Å; L1138-L1196 HydrophobicContact CD1-CG 3.41Å; L1138-L1196 VanDerWaalsContact CD1-CG 3.41Å; L1138-L1196 HydrophobicContact CD2-CD1 3.37Å; L1138-L1196 HydrophobicContact CD2-CD2 3.95Å; L1138-L1196 HydrophobicContact CD2-CG 3.91Å; L1138-L1196 HydrophobicContact CG-CD1 4.16Å; L1138-L1196 HydrophobicContact CG-CD2 4.2Å; L1138-L1196 HydrophobicContact CG-CG 4.2Å |
| 1139 | L | 82 | Confident | 83.3 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -33.6 | 174.7 | -64.5 | 176.9 | 0 | 0 | 0 | 111.6 | F1020 V1074 Q1135 L1136 H1143 | F1020-L1139 HydrophobicContact CB-CD2 3.45Å; F1020-L1139 VanDerWaalsContact CB-CD2 3.45Å; F1020-L1139 HydrophobicContact CD1-CD1 4.01Å; F1020-L1139 HydrophobicContact CD1-CD2 4.33Å; F1020-L1139 HydrophobicContact CG-CD1 4.5Å; F1020-L1139 HydrophobicContact CG-CD2 3.99Å; V1074-L1139 HydrophobicContact CG1-CB 4.11Å; V1074-L1139 HydrophobicContact CG2-CB 3.94Å; V1074-L1139 HydrophobicContact CG2-CD1 4.25Å; Q1135-L1139 PolarHBondContact O-N 2.95Å; Q1135-L1139 VanDerWaalsContact O-N 3.14Å; L1136-L1139 HydrophobicContact CD2-CD1 4.37Å; L1136-L1139 PolarHBondContact O-N 3.06Å; L1139-H1143 WeakPolarHBondContact O-CB 3.22Å; L1139-H1143 PolarHBondContact O-N 3.4Å; L1139-H1143 PolarHBondContact O-ND1 3.14Å |
| 1140 | E | 85 | Confident | 83.8 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 168.6 | -178 | 179.5 | -144.4 | 0 | 0 | 112.7 | V1074 L1078 L1136 L1138 H1143 D1144 | V1074-E1140 HydrophobicContact CG1-CB 4.24Å; L1078-E1140 HydrophobicContact CD1-CB 4.5Å; L1136-E1140 PolarHBondContact O-N 3.03Å; L1138-E1140 PolarHBondContact O-N 3.36Å; E1140-H1143 PolarHBondContact O-N 3.06Å; E1140-D1144 WeakPolarHBondContact O-CB 3.4Å; E1140-D1144 PolarHBondContact O-N 3.09Å |
| 1141 | K | 85 | Confident | 84.4 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 177.1 | -68.7 | 160 | -164.5 | 148.5 | 0 | 112.5 | S1137 L1138 D1144 L1145 L1192 | S1137-K1141 VanDerWaalsContact O-CD 3.29Å; S1137-K1141 WeakPolarHBondContact O-CD 3.49Å; S1137-K1141 WeakPolarHBondContact O-CE 3.5Å; S1137-K1141 VanDerWaalsContact O-CG 3.24Å; S1137-K1141 WeakPolarHBondContact O-CG 3.38Å; S1137-K1141 PolarHBondContact O-N 3.44Å; S1137-K1141 WeakPolarHBondContact OG-CE 3.49Å; S1137-K1141 PolarHBondContact OG-NZ 3.08Å; L1138-K1141 CarbonylContact O-C 3.59Å; L1138-K1141 WeakPolarHBondContact O-CA 3.28Å; L1138-K1141 WeakPolarHBondContact O-CB 3.4Å; L1138-K1141 PolarHBondContact O-N 3.02Å; K1141-D1144 PolarHBondContact O-N 3.47Å; K1141-L1145 WeakPolarHBondContact O-CG 3.46Å; K1141-L1145 PolarHBondContact O-N 3.17Å; K1141-L1192 HydrophobicContact CB-CD1 3.92Å |
| 1142 | E | 83.7 | Confident | 85.1 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 173.9 | -177 | 167.6 | -132.6 | 0 | 0 | 110.3 | L1138 D1144 L1145 E1146 R1189 | L1138-E1142 PolarHBondContact O-N 2.84Å; E1142-D1144 VanDerWaalsContact C-N 3.27Å; E1142-D1144 PolarHBondContact O-N 2.95Å; E1142-L1145 PolarHBondContact O-N 3.41Å; E1142-E1146 HydrophobicContact CG-CG 4.41Å; E1142-E1146 WeakPolarHBondContact O-CB 3.29Å; E1142-E1146 WeakPolarHBondContact O-CG 3.38Å; E1142-E1146 PolarHBondContact O-N 2.93Å; E1142-R1189 IonicContact OE1-CZ 3.92Å; E1142-R1189 VanDerWaalsContact OE1-CZ 3.25Å; E1142-R1189 IonicContact OE1-NE 2.81Å; E1142-R1189 PolarHBondContact OE1-NE 3.02Å; E1142-R1189 VanDerWaalsContact OE1-NE 3.12Å; E1142-R1189 IonicContact OE1-NH2 2.93Å; E1142-R1189 PolarHBondContact OE1-NH2 2.84Å |
| 1143 | H | 84.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -29.1 | 176.2 | -67.7 | 157.9 | 0 | 0 | 0 | 113.5 | L1139 E1140 R1147 | L1139-H1143 WeakPolarHBondContact O-CB 3.22Å; L1139-H1143 PolarHBondContact O-N 3.4Å; L1139-H1143 PolarHBondContact O-ND1 3.14Å; E1140-H1143 PolarHBondContact O-N 3.06Å; H1143-R1147 WeakPolarHBondContact O-CB 3.38Å; H1143-R1147 WeakPolarHBondContact O-CG 3.32Å; H1143-R1147 PolarHBondContact O-N 3.42Å; H1143-R1147 VanDerWaalsContact O-N 3.16Å; H1143-R1147 PolarHBondContact O-NE 3.26Å |
| 1144 | D | 86.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.9 | -47.9 | 171.5 | -177.7 | 52.3 | 0 | 0 | 0 | 112 | E1140 K1141 E1142 E1146 R1147 R1148 | E1140-D1144 WeakPolarHBondContact O-CB 3.4Å; E1140-D1144 PolarHBondContact O-N 3.09Å; K1141-D1144 PolarHBondContact O-N 3.47Å; E1142-D1144 VanDerWaalsContact C-N 3.27Å; E1142-D1144 PolarHBondContact O-N 2.95Å; D1144-E1146 VanDerWaalsContact C-N 3.29Å; D1144-E1146 PolarHBondContact O-N 3.43Å; D1144-R1147 PolarHBondContact O-N 2.98Å; D1144-R1148 WeakPolarHBondContact O-CG 3.27Å; D1144-R1148 PolarHBondContact O-N 3.2Å; D1144-R1148 IonicContact OD1-NE 3.89Å; D1144-R1148 PolarHBondContact OD1-NE 3.17Å; D1144-R1148 IonicContact OD1-NH2 3.32Å; D1144-R1148 IonicContact OD2-CZ 3.75Å; D1144-R1148 IonicContact OD2-NE 2.62Å; D1144-R1148 PolarHBondContact OD2-NE 3.1Å; D1144-R1148 IonicContact OD2-NH2 3.85Å; D1144-R1148 PolarHBondContact OD2-NH2 3.2Å |
| 1145 | L | 87.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 174.3 | -72.2 | -179.4 | 0 | 0 | 0 | 112.5 | K1141 E1142 Y1149 L1185 K1188 R1189 L1192 | K1141-L1145 WeakPolarHBondContact O-CG 3.46Å; K1141-L1145 PolarHBondContact O-N 3.17Å; E1142-L1145 PolarHBondContact O-N 3.41Å; L1145-Y1149 VanDerWaalsContact O-CB 3.24Å; L1145-Y1149 WeakPolarHBondContact O-CB 3.11Å; L1145-Y1149 PolarHBondContact O-N 3.18Å; L1145-L1185 HydrophobicContact CD2-CD2 3.77Å; L1145-K1188 HydrophobicContact CD1-CB 4.18Å; L1145-K1188 HydrophobicContact CD2-CB 4.22Å; L1145-R1189 HydrophobicContact CD1-CB 4.04Å; L1145-L1192 HydrophobicContact CD1-CD1 3.67Å |
| 1146 | E | 85.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 175.9 | -72.4 | -160.9 | 134 | 0 | 0 | 112.6 | E1142 D1144 Y1149 E1150 R1189 | E1142-E1146 HydrophobicContact CG-CG 4.41Å; E1142-E1146 WeakPolarHBondContact O-CB 3.29Å; E1142-E1146 WeakPolarHBondContact O-CG 3.38Å; E1142-E1146 PolarHBondContact O-N 2.93Å; D1144-E1146 VanDerWaalsContact C-N 3.29Å; D1144-E1146 PolarHBondContact O-N 3.43Å; E1146-Y1149 PolarHBondContact O-N 2.88Å; E1146-E1150 WeakPolarHBondContact O-CB 3.48Å; E1146-E1150 PolarHBondContact O-N 3.4Å; E1146-R1189 IonicContact OE1-CZ 3.63Å; E1146-R1189 IonicContact OE1-NH1 3.22Å; E1146-R1189 PolarHBondContact OE1-NH1 3.34Å; E1146-R1189 IonicContact OE1-NH2 2.66Å; E1146-R1189 PolarHBondContact OE1-NH2 2.86Å |
| 1147 | R | 88.4 | Confident | 87.9 | Confident | 114 Ų | 114 | 65.3 Ų | 65.3 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 172.7 | -78.7 | 176.7 | -71.3 | 177.9 | -1.5 | 112.1 | H1143 D1144 E1150 L1151 | H1143-R1147 WeakPolarHBondContact O-CB 3.38Å; H1143-R1147 WeakPolarHBondContact O-CG 3.32Å; H1143-R1147 PolarHBondContact O-N 3.42Å; H1143-R1147 VanDerWaalsContact O-N 3.16Å; H1143-R1147 PolarHBondContact O-NE 3.26Å; D1144-R1147 PolarHBondContact O-N 2.98Å; R1147-E1150 PolarHBondContact O-N 3.14Å; R1147-L1151 WeakPolarHBondContact O-CG 3.26Å; R1147-L1151 PolarHBondContact O-N 3.41Å; R1147-L1151 VanDerWaalsContact O-N 3.09Å |
| 1148 | R | 89.3 | Confident | 88.3 | Confident | 135 Ų | 135 | 67 Ų | 67 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.5 | -67.5 | 175.7 | -163.2 | -129.2 | 10.6 | 111.2 | D1144 E1150 L1151 L1152 L1185 | D1144-R1148 WeakPolarHBondContact O-CG 3.27Å; D1144-R1148 PolarHBondContact O-N 3.2Å; D1144-R1148 IonicContact OD1-NE 3.89Å; D1144-R1148 PolarHBondContact OD1-NE 3.17Å; D1144-R1148 IonicContact OD1-NH2 3.32Å; D1144-R1148 IonicContact OD2-CZ 3.75Å; D1144-R1148 IonicContact OD2-NE 2.62Å; D1144-R1148 PolarHBondContact OD2-NE 3.1Å; D1144-R1148 IonicContact OD2-NH2 3.85Å; D1144-R1148 PolarHBondContact OD2-NH2 3.2Å; R1148-E1150 VanDerWaalsContact C-N 3.34Å; R1148-E1150 PolarHBondContact O-N 3.42Å; R1148-L1151 PolarHBondContact O-N 2.87Å; R1148-L1152 VanDerWaalsContact O-CB 3.24Å; R1148-L1152 WeakPolarHBondContact O-CB 3.24Å; R1148-L1152 PolarHBondContact O-N 3.16Å; R1148-L1185 HydrophobicContact CB-CD1 3.87Å; R1148-L1185 HydrophobicContact CB-CD2 4.07Å |
| 1149 | Y | 89.6 | Confident | 88.6 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 176 | 175.5 | -78.2 | 0 | 0 | 0 | 111.3 | K1014 L1145 E1146 L1152 N1153 L1182 V1186 | K1014-Y1149 WeakPolarHBondContact CE-OH 3.38Å; L1145-Y1149 VanDerWaalsContact O-CB 3.24Å; L1145-Y1149 WeakPolarHBondContact O-CB 3.11Å; L1145-Y1149 PolarHBondContact O-N 3.18Å; E1146-Y1149 PolarHBondContact O-N 2.88Å; Y1149-L1152 PolarHBondContact O-N 2.69Å; Y1149-N1153 HydrophobicContact CD1-CB 4.41Å; Y1149-N1153 HydrophobicContact CE1-CB 4.03Å; Y1149-N1153 WeakPolarHBondContact O-CB 3.46Å; Y1149-N1153 PolarHBondContact O-N 3.02Å; Y1149-L1182 HydrophobicContact CD2-CD1 3.57Å; Y1149-L1182 HydrophobicContact CE2-CD1 3.57Å; Y1149-L1182 HydrophobicContact CE2-CG 4.33Å; Y1149-L1182 HydrophobicContact CG-CD1 4.34Å; Y1149-V1186 HydrophobicContact CE2-CG2 4.33Å |
| 1150 | E | 90.6 | Very high | 89 | Confident | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | -178.7 | -170.3 | -174.4 | 160.4 | 0 | 0 | 111.8 | E1146 R1147 R1148 R1154 | E1146-E1150 WeakPolarHBondContact O-CB 3.48Å; E1146-E1150 PolarHBondContact O-N 3.4Å; R1147-E1150 PolarHBondContact O-N 3.14Å; R1148-E1150 VanDerWaalsContact C-N 3.34Å; R1148-E1150 PolarHBondContact O-N 3.42Å; E1150-R1154 VanDerWaalsContact O-CB 3.27Å; E1150-R1154 WeakPolarHBondContact O-CB 3.47Å; E1150-R1154 PolarHBondContact O-N 2.67Å |
| 1151 | L | 90.7 | Very high | 89.3 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 176.8 | -68.1 | 171.8 | 0 | 0 | 0 | 111.6 | R1147 R1148 R1154 E1155 | R1147-L1151 WeakPolarHBondContact O-CG 3.26Å; R1147-L1151 PolarHBondContact O-N 3.41Å; R1147-L1151 VanDerWaalsContact O-N 3.09Å; R1148-L1151 PolarHBondContact O-N 2.87Å; L1151-R1154 WeakPolarHBondContact O-CB 3.29Å; L1151-R1154 PolarHBondContact O-N 3.26Å; L1151-E1155 PolarHBondContact O-N 2.96Å |
| 1152 | L | 92.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -45.3 | -179.1 | -168.9 | 73 | 0 | 0 | 0 | 112.2 | R1148 Y1149 R1154 E1155 L1156 L1178 E1181 L1182 L1185 | R1148-L1152 VanDerWaalsContact O-CB 3.24Å; R1148-L1152 WeakPolarHBondContact O-CB 3.24Å; R1148-L1152 PolarHBondContact O-N 3.16Å; Y1149-L1152 PolarHBondContact O-N 2.69Å; L1152-R1154 VanDerWaalsContact C-N 3.27Å; L1152-R1154 PolarHBondContact O-N 2.77Å; L1152-E1155 PolarHBondContact O-N 2.93Å; L1152-L1156 VanDerWaalsContact O-CB 3.31Å; L1152-L1156 WeakPolarHBondContact O-CB 3.36Å; L1152-L1156 PolarHBondContact O-N 3.24Å; L1152-L1178 HydrophobicContact CD1-CB 4.44Å; L1152-L1178 HydrophobicContact CD1-CD2 3.42Å; L1152-L1178 VanDerWaalsContact CD1-CD2 3.42Å; L1152-E1181 HydrophobicContact CD1-CB 4.44Å; L1152-E1181 HydrophobicContact CD1-CG 4.43Å; L1152-E1181 HydrophobicContact CD2-CB 3.94Å; L1152-E1181 HydrophobicContact CD2-CG 3.87Å; L1152-L1182 HydrophobicContact CD2-CB 3.78Å; L1152-L1182 HydrophobicContact CD2-CD1 3.94Å; L1152-L1182 HydrophobicContact CG-CD1 4.46Å; L1152-L1185 HydrophobicContact CB-CD1 4.44Å; L1152-L1185 HydrophobicContact CD2-CD1 3.67Å |
| 1153 | N | 90.8 | Very high | 90.1 | Very high | 31 Ų | 31 | 72.9 Ų | 72.9 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -29.4 | 174.3 | 163.1 | 72.9 | 0 | 0 | 0 | 111.9 | Y1149 R1157 | Y1149-N1153 HydrophobicContact CD1-CB 4.41Å; Y1149-N1153 HydrophobicContact CE1-CB 4.03Å; Y1149-N1153 WeakPolarHBondContact O-CB 3.46Å; Y1149-N1153 PolarHBondContact O-N 3.02Å; N1153-R1157 PolarHBondContact ND2-NE 2.99Å; N1153-R1157 VanDerWaalsContact O-CB 3.29Å; N1153-R1157 WeakPolarHBondContact O-CB 3.45Å; N1153-R1157 WeakPolarHBondContact O-CD 3.41Å; N1153-R1157 WeakPolarHBondContact O-CG 3.48Å; N1153-R1157 PolarHBondContact O-N 3.32Å; N1153-R1157 PolarHBondContact OD1-NE 2.91Å |
| 1154 | R | 92.6 | Very high | 90.4 | Very high | 180 Ų | 180 | 77.4 Ų | 77.4 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.2 | -44.1 | 171.9 | 178.7 | 178.3 | 174.7 | 167.9 | 0.4 | 111.9 | E1150 L1151 L1152 A1158 | E1150-R1154 VanDerWaalsContact O-CB 3.27Å; E1150-R1154 WeakPolarHBondContact O-CB 3.47Å; E1150-R1154 PolarHBondContact O-N 2.67Å; L1151-R1154 WeakPolarHBondContact O-CB 3.29Å; L1151-R1154 PolarHBondContact O-N 3.26Å; L1152-R1154 VanDerWaalsContact C-N 3.27Å; L1152-R1154 PolarHBondContact O-N 2.77Å; R1154-A1158 PolarHBondContact O-N 3.23Å; R1154-A1158 VanDerWaalsContact O-N 3.14Å |
| 1155 | E | 92.6 | Very high | 90.7 | Very high | 69 Ų | 69 | 84.2 Ų | 84.2 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 175.1 | -173.5 | 173.3 | 143.5 | 0 | 0 | 111.4 | L1151 L1152 R1157 A1158 M1159 R1174 L1178 | L1151-E1155 PolarHBondContact O-N 2.96Å; L1152-E1155 PolarHBondContact O-N 2.93Å; E1155-R1157 VanDerWaalsContact C-N 3.31Å; E1155-R1157 PolarHBondContact O-N 3.08Å; E1155-A1158 WeakPolarHBondContact O-CA 3.35Å; E1155-A1158 WeakPolarHBondContact O-CB 3.43Å; E1155-A1158 PolarHBondContact O-N 3.12Å; E1155-M1159 WeakPolarHBondContact O-CG 3.41Å; E1155-M1159 PolarHBondContact O-N 2.96Å; E1155-R1174 VanDerWaalsContact CD-NH2 3.35Å; E1155-R1174 IonicContact OE1-CZ 2.78Å; E1155-R1174 IonicContact OE1-NE 2.68Å; E1155-R1174 PolarHBondContact OE1-NE 3.19Å; E1155-R1174 IonicContact OE1-NH2 2.87Å; E1155-R1174 PolarHBondContact OE1-NH2 3.04Å; E1155-R1174 IonicContact OE2-NH2 2.69Å; E1155-R1174 PolarHBondContact OE2-NH2 3.5Å; E1155-L1178 HydrophobicContact CG-CD1 3.91Å; E1155-L1178 HydrophobicContact CG-CD2 4.3Å; E1155-L1178 WeakPolarHBondContact OE1-CD1 3.29Å |
| 1156 | L | 92.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 88 Ų | 88 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 178.1 | -179.3 | 62.2 | 0 | 0 | 0 | 112.1 | L1152 A1158 M1159 L1160 E1175 L1178 L1179 L1182 | L1152-L1156 VanDerWaalsContact O-CB 3.31Å; L1152-L1156 WeakPolarHBondContact O-CB 3.36Å; L1152-L1156 PolarHBondContact O-N 3.24Å; L1156-A1158 VanDerWaalsContact C-N 3.34Å; L1156-A1158 PolarHBondContact O-N 3.35Å; L1156-M1159 PolarHBondContact O-N 3.13Å; L1156-L1160 HydrophobicContact CD1-CD1 4.14Å; L1156-L1160 HydrophobicContact CD1-CG 4.3Å; L1156-L1160 HydrophobicContact CD2-CD1 4.48Å; L1156-L1160 HydrophobicContact CG-CD1 3.84Å; L1156-L1160 HydrophobicContact CG-CG 4.45Å; L1156-L1160 WeakPolarHBondContact O-CB 3.42Å; L1156-L1160 WeakPolarHBondContact O-CG 3.33Å; L1156-L1160 PolarHBondContact O-N 3.23Å; L1156-E1175 HydrophobicContact CD1-CG 3.89Å; L1156-L1178 HydrophobicContact CB-CB 4.49Å; L1156-L1178 HydrophobicContact CD1-CB 4.15Å; L1156-L1179 HydrophobicContact CD1-CD2 4.32Å; L1156-L1179 HydrophobicContact CD1-CG 3.96Å; L1156-L1179 HydrophobicContact CD2-CD2 3.68Å; L1156-L1179 HydrophobicContact CD2-CG 4.11Å; L1156-L1182 HydrophobicContact CD2-CD2 3.83Å |
| 1157 | R | 92.8 | Very high | 91.4 | Very high | 163 Ų | 163 | 87.1 Ų | 87.1 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.2 | -34.9 | 172.3 | -77.9 | 170.5 | -175.2 | -156.3 | -3.3 | 113.2 | N1153 E1155 A1161 | N1153-R1157 PolarHBondContact ND2-NE 2.99Å; N1153-R1157 VanDerWaalsContact O-CB 3.29Å; N1153-R1157 WeakPolarHBondContact O-CB 3.45Å; N1153-R1157 WeakPolarHBondContact O-CD 3.41Å; N1153-R1157 WeakPolarHBondContact O-CG 3.48Å; N1153-R1157 PolarHBondContact O-N 3.32Å; N1153-R1157 PolarHBondContact OD1-NE 2.91Å; E1155-R1157 VanDerWaalsContact C-N 3.31Å; E1155-R1157 PolarHBondContact O-N 3.08Å; R1157-A1161 WeakPolarHBondContact O-CB 3.13Å; R1157-A1161 PolarHBondContact O-N 2.99Å; R1157-A1161 VanDerWaalsContact O-N 3.07Å |
| 1158 | A | 91.8 | Very high | 91.7 | Very high | 65 Ų | 65 | 85.4 Ų | 85.4 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1154 E1155 L1156 | R1154-A1158 PolarHBondContact O-N 3.23Å; R1154-A1158 VanDerWaalsContact O-N 3.14Å; E1155-A1158 WeakPolarHBondContact O-CA 3.35Å; E1155-A1158 WeakPolarHBondContact O-CB 3.43Å; E1155-A1158 PolarHBondContact O-N 3.12Å; L1156-A1158 VanDerWaalsContact C-N 3.34Å; L1156-A1158 PolarHBondContact O-N 3.35Å |
| 1159 | M | 88.1 | Confident | 92 | Very high | 20 Ų | 20 | 84 Ų | 84 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.7 | -47.3 | 173 | -65.2 | -72.2 | -69.6 | 0 | 0 | 111.9 | E1155 L1156 A1161 I1162 K1167 Q1171 R1174 E1175 L1178 | E1155-M1159 WeakPolarHBondContact O-CG 3.41Å; E1155-M1159 PolarHBondContact O-N 2.96Å; L1156-M1159 PolarHBondContact O-N 3.13Å; M1159-A1161 PolarHBondContact O-N 2.67Å; M1159-I1162 WeakPolarHBondContact O-CB 3.39Å; M1159-I1162 PolarHBondContact O-N 2.79Å; M1159-I1162 VanDerWaalsContact O-N 3.15Å; M1159-K1167 WeakPolarHBondContact O-CE 3.49Å; M1159-Q1171 HydrophobicContact CE-CB 3.73Å; M1159-Q1171 HydrophobicContact CE-CG 4.07Å; M1159-Q1171 WeakPolarHBondContact CE-O 3.48Å; M1159-R1174 HydrophobicContact CE-CB 3.97Å; M1159-R1174 HydrophobicContact CE-CG 4.14Å; M1159-E1175 HydrophobicContact CE-CB 4.2Å; M1159-L1178 HydrophobicContact CG-CD1 3.97Å |
| 1160 | L | 88.9 | Confident | 92.1 | Very high | 97 Ų | 97 | 85 Ų | 85 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -15.5 | 177 | -76.8 | 166.6 | 0 | 0 | 0 | 114.2 | L1156 I1162 E1175 | L1156-L1160 HydrophobicContact CD1-CD1 4.14Å; L1156-L1160 HydrophobicContact CD1-CG 4.3Å; L1156-L1160 HydrophobicContact CD2-CD1 4.48Å; L1156-L1160 HydrophobicContact CG-CD1 3.84Å; L1156-L1160 HydrophobicContact CG-CG 4.45Å; L1156-L1160 WeakPolarHBondContact O-CB 3.42Å; L1156-L1160 WeakPolarHBondContact O-CG 3.33Å; L1156-L1160 PolarHBondContact O-N 3.23Å; L1160-I1162 VanDerWaalsContact C-N 3.28Å; L1160-E1175 WeakPolarHBondContact CD2-OE1 3.47Å |
| 1161 | A | 92.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 83.2 Ų | 83.2 | 69% | 0.694 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1157 M1159 | R1157-A1161 WeakPolarHBondContact O-CB 3.13Å; R1157-A1161 PolarHBondContact O-N 2.99Å; R1157-A1161 VanDerWaalsContact O-N 3.07Å; M1159-A1161 PolarHBondContact O-N 2.67Å |
| 1162 | I | 91.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -88.1 | 139.9 | 171.8 | -55.9 | 172.8 | 0 | 0 | 0 | 108 | M1159 L1160 Q1166 K1167 | M1159-I1162 WeakPolarHBondContact O-CB 3.39Å; M1159-I1162 PolarHBondContact O-N 2.79Å; M1159-I1162 VanDerWaalsContact O-N 3.15Å; L1160-I1162 VanDerWaalsContact C-N 3.28Å; I1162-Q1166 HydrophobicContact CG2-CB 3.75Å; I1162-K1167 HydrophobicContact CB-CG 4.15Å; I1162-K1167 HydrophobicContact CG2-CG 3.82Å; I1162-K1167 WeakPolarHBondContact O-CE 3.16Å |
| 1163 | E | 92.9 | Very high | 92.4 | Very high | 114 Ų | 114 | 88.1 Ų | 88.1 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | trans | -78.4 | 144.9 | -179.3 | -60.7 | -175.6 | 171.5 | 0 | 0 | 111.6 | W1165 Q1166 K1167 | E1163-W1165 PolarHBondContact O-N 2.8Å; E1163-W1165 PolarHBondContact OE2-NE1 3.35Å; E1163-Q1166 HydrophobicContact CB-CG 4.37Å; E1163-Q1166 WeakPolarHBondContact O-CA 3.49Å; E1163-Q1166 WeakPolarHBondContact O-CB 3.22Å; E1163-Q1166 PolarHBondContact O-N 2.95Å; E1163-K1167 PolarHBondContact O-N 3.24Å; E1163-K1167 VanDerWaalsContact O-N 3.1Å | ||
| 1164 | D | 91.1 | Very high | 92.4 | Very high | 104 Ų | 104 | 92.9 Ų | 92.9 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.2 | -168.9 | -68.2 | -41.7 | 0 | 0 | 0 | 115.7 | K1167 K1172 | D1164-K1167 WeakPolarHBondContact OD1-CD 3.47Å; D1164-K1167 VanDerWaalsContact OD1-CE 3.25Å; D1164-K1167 WeakPolarHBondContact OD1-CE 3.1Å; D1164-K1167 IonicContact OD1-NZ 3.19Å; D1164-K1167 PolarHBondContact OD1-NZ 3Å; D1164-K1172 WeakPolarHBondContact O-CE 3.17Å; D1164-K1172 PolarHBondContact O-NZ 3.23Å |
| 1165 | W | 91.8 | Very high | 92.5 | Very high | 197 Ų | 197 | 85.2 Ų | 85.2 | 75% | 0.746 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.7 | 173.2 | 66.1 | -89.4 | 0 | 0 | 0 | 113 | E1163 | E1163-W1165 PolarHBondContact O-N 2.8Å; E1163-W1165 PolarHBondContact OE2-NE1 3.35Å |
| 1166 | Q | 92.5 | Very high | 92.5 | Very high | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -24.9 | 173 | -57.9 | 177 | -12.1 | 0 | 0 | 111.9 | I1162 E1163 T1168 | I1162-Q1166 HydrophobicContact CG2-CB 3.75Å; E1163-Q1166 HydrophobicContact CB-CG 4.37Å; E1163-Q1166 WeakPolarHBondContact O-CA 3.49Å; E1163-Q1166 WeakPolarHBondContact O-CB 3.22Å; E1163-Q1166 PolarHBondContact O-N 2.95Å; Q1166-T1168 PolarHBondContact O-N 3.29Å |
| 1167 | K | 94.9 | Very high | 92.6 | Very high | 12 Ų | 12 | 92 Ų | 92 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -67 | 120.3 | 176.8 | -65.6 | -179.7 | -168 | 169.3 | 0 | 111.3 | M1159 I1162 E1163 D1164 Q1171 K1172 E1175 | M1159-K1167 WeakPolarHBondContact O-CE 3.49Å; I1162-K1167 HydrophobicContact CB-CG 4.15Å; I1162-K1167 HydrophobicContact CG2-CG 3.82Å; I1162-K1167 WeakPolarHBondContact O-CE 3.16Å; E1163-K1167 PolarHBondContact O-N 3.24Å; E1163-K1167 VanDerWaalsContact O-N 3.1Å; D1164-K1167 WeakPolarHBondContact OD1-CD 3.47Å; D1164-K1167 VanDerWaalsContact OD1-CE 3.25Å; D1164-K1167 WeakPolarHBondContact OD1-CE 3.1Å; D1164-K1167 IonicContact OD1-NZ 3.19Å; D1164-K1167 PolarHBondContact OD1-NZ 3Å; K1167-Q1171 HydrophobicContact CB-CB 4.4Å; K1167-K1172 HydrophobicContact CB-CG 3.97Å; K1167-K1172 HydrophobicContact CD-CG 4.37Å; K1167-K1172 VanDerWaalsContact O-CE 3.3Å; K1167-K1172 WeakPolarHBondContact O-CE 3.45Å; K1167-E1175 WeakPolarHBondContact CD-OE2 3.44Å; K1167-E1175 WeakPolarHBondContact CE-OE2 3.24Å; K1167-E1175 IonicContact NZ-OE1 2.67Å; K1167-E1175 PolarHBondContact NZ-OE1 3.02Å; K1167-E1175 IonicContact NZ-OE2 3.12Å; K1167-E1175 PolarHBondContact NZ-OE2 2.81Å |
| 1168 | T | 95.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 84.9 Ų | 84.9 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | trans | -62.4 | 156.8 | 165.6 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | Q1166 A1170 Q1171 K1172 | Q1166-T1168 PolarHBondContact O-N 3.29Å; T1168-A1170 PolarHBondContact O-N 3.23Å; T1168-Q1171 WeakPolarHBondContact O-CA 3.24Å; T1168-Q1171 WeakPolarHBondContact O-CB 3.39Å; T1168-Q1171 PolarHBondContact O-N 2.99Å; T1168-Q1171 WeakPolarHBondContact OG1-CG 3.33Å; T1168-Q1171 PolarHBondContact OG1-N 3.45Å; T1168-Q1171 PolarHBondContact OG1-OE1 3.12Å; T1168-K1172 PolarHBondContact O-N 3.45Å | ||
| 1169 | E | 94.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 84.9 Ų | 84.9 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.6 | -34.5 | 176.4 | 178.3 | 58.4 | -167.5 | 0 | 0 | 112.9 | K1172 R1173 | E1169-K1172 PolarHBondContact O-N 3.38Å; E1169-R1173 VanDerWaalsContact CG-NH2 3.31Å; E1169-R1173 WeakPolarHBondContact O-CG 3.44Å; E1169-R1173 PolarHBondContact O-N 3.21Å; E1169-R1173 VanDerWaalsContact O-N 3.08Å; E1169-R1173 IonicContact OE1-CZ 2.72Å; E1169-R1173 IonicContact OE1-NE 2.77Å; E1169-R1173 PolarHBondContact OE1-NE 3.32Å; E1169-R1173 IonicContact OE1-NH2 2.73Å; E1169-R1173 PolarHBondContact OE1-NH2 3.35Å |
| 1170 | A | 93.2 | Very high | 93 | Very high | 73 Ų | 73 | 87.7 Ų | 87.7 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.5 | -36.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1168 R1174 | T1168-A1170 PolarHBondContact O-N 3.23Å; A1170-R1174 PolarHBondContact O-N 3.42Å |
| 1171 | Q | 92.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 88 Ų | 88 | 27% | 0.271 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 174.1 | -75.4 | 161.7 | -55.6 | 0 | 0 | 111.6 | M1159 K1167 T1168 R1173 R1174 E1175 | M1159-Q1171 HydrophobicContact CE-CB 3.73Å; M1159-Q1171 HydrophobicContact CE-CG 4.07Å; M1159-Q1171 WeakPolarHBondContact CE-O 3.48Å; K1167-Q1171 HydrophobicContact CB-CB 4.4Å; T1168-Q1171 WeakPolarHBondContact O-CA 3.24Å; T1168-Q1171 WeakPolarHBondContact O-CB 3.39Å; T1168-Q1171 PolarHBondContact O-N 2.99Å; T1168-Q1171 WeakPolarHBondContact OG1-CG 3.33Å; T1168-Q1171 PolarHBondContact OG1-N 3.45Å; T1168-Q1171 PolarHBondContact OG1-OE1 3.12Å; Q1171-R1173 VanDerWaalsContact C-N 3.34Å; Q1171-R1173 PolarHBondContact O-N 3.25Å; Q1171-R1174 PolarHBondContact O-N 3.47Å; Q1171-E1175 WeakPolarHBondContact O-CB 3.34Å; Q1171-E1175 PolarHBondContact O-N 3.43Å |
| 1172 | K | 92.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 85.3 Ų | 85.3 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176 | -67 | 176.3 | -179.1 | 175.2 | 0 | 112.1 | D1164 K1167 T1168 E1169 E1175 Q1176 | D1164-K1172 WeakPolarHBondContact O-CE 3.17Å; D1164-K1172 PolarHBondContact O-NZ 3.23Å; K1167-K1172 HydrophobicContact CB-CG 3.97Å; K1167-K1172 HydrophobicContact CD-CG 4.37Å; K1167-K1172 VanDerWaalsContact O-CE 3.3Å; K1167-K1172 WeakPolarHBondContact O-CE 3.45Å; T1168-K1172 PolarHBondContact O-N 3.45Å; E1169-K1172 PolarHBondContact O-N 3.38Å; K1172-E1175 PolarHBondContact O-N 3.4Å; K1172-Q1176 PolarHBondContact O-N 2.97Å |
| 1173 | R | 93.8 | Very high | 93.3 | Very high | 159 Ų | 159 | 86.8 Ų | 86.8 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 174.2 | -67 | 172.7 | -165.9 | -179.5 | 2.9 | 112.7 | E1169 Q1171 Q1176 L1177 | E1169-R1173 VanDerWaalsContact CG-NH2 3.31Å; E1169-R1173 WeakPolarHBondContact O-CG 3.44Å; E1169-R1173 PolarHBondContact O-N 3.21Å; E1169-R1173 VanDerWaalsContact O-N 3.08Å; E1169-R1173 IonicContact OE1-CZ 2.72Å; E1169-R1173 IonicContact OE1-NE 2.77Å; E1169-R1173 PolarHBondContact OE1-NE 3.32Å; E1169-R1173 IonicContact OE1-NH2 2.73Å; E1169-R1173 PolarHBondContact OE1-NH2 3.35Å; Q1171-R1173 VanDerWaalsContact C-N 3.34Å; Q1171-R1173 PolarHBondContact O-N 3.25Å; R1173-Q1176 PolarHBondContact O-N 2.94Å; R1173-L1177 WeakPolarHBondContact O-CG 3.33Å; R1173-L1177 PolarHBondContact O-N 3.14Å |
| 1174 | R | 92.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 83 Ų | 83 | 49% | 0.494 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 173.2 | -177.3 | 179.3 | -176.5 | 146.7 | 1.7 | 111.2 | E1155 M1159 A1170 Q1171 Q1176 L1177 L1178 | E1155-R1174 VanDerWaalsContact CD-NH2 3.35Å; E1155-R1174 IonicContact OE1-CZ 2.78Å; E1155-R1174 IonicContact OE1-NE 2.68Å; E1155-R1174 PolarHBondContact OE1-NE 3.19Å; E1155-R1174 IonicContact OE1-NH2 2.87Å; E1155-R1174 PolarHBondContact OE1-NH2 3.04Å; E1155-R1174 IonicContact OE2-NH2 2.69Å; E1155-R1174 PolarHBondContact OE2-NH2 3.5Å; M1159-R1174 HydrophobicContact CE-CB 3.97Å; M1159-R1174 HydrophobicContact CE-CG 4.14Å; A1170-R1174 PolarHBondContact O-N 3.42Å; Q1171-R1174 PolarHBondContact O-N 3.47Å; R1174-Q1176 PolarHBondContact O-N 3.35Å; R1174-L1177 PolarHBondContact O-N 2.94Å; R1174-L1178 HydrophobicContact CG-CD1 4.04Å; R1174-L1178 HydrophobicContact CG-CG 4.38Å; R1174-L1178 WeakPolarHBondContact O-CG 3.37Å; R1174-L1178 PolarHBondContact O-N 3.46Å |
| 1175 | E | 93.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 78.4 Ų | 78.4 | 9% | 0.093 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 177.7 | -175.4 | 175.5 | 167.9 | 0 | 0 | 112.6 | L1156 M1159 L1160 K1167 Q1171 K1172 L1178 L1179 | L1156-E1175 HydrophobicContact CD1-CG 3.89Å; M1159-E1175 HydrophobicContact CE-CB 4.2Å; L1160-E1175 WeakPolarHBondContact CD2-OE1 3.47Å; K1167-E1175 WeakPolarHBondContact CD-OE2 3.44Å; K1167-E1175 WeakPolarHBondContact CE-OE2 3.24Å; K1167-E1175 IonicContact NZ-OE1 2.67Å; K1167-E1175 PolarHBondContact NZ-OE1 3.02Å; K1167-E1175 IonicContact NZ-OE2 3.12Å; K1167-E1175 PolarHBondContact NZ-OE2 2.81Å; Q1171-E1175 WeakPolarHBondContact O-CB 3.34Å; Q1171-E1175 PolarHBondContact O-N 3.43Å; K1172-E1175 PolarHBondContact O-N 3.4Å; E1175-L1178 PolarHBondContact O-N 3Å; E1175-L1179 HydrophobicContact CG-CD1 4.48Å; E1175-L1179 WeakPolarHBondContact O-CG 3.46Å; E1175-L1179 PolarHBondContact O-N 2.69Å |
| 1176 | Q | 93.6 | Very high | 93.2 | Very high | 101 Ų | 101 | 72.4 Ų | 72.4 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.1 | -173.4 | 60.7 | 49.4 | 0 | 0 | 111.9 | K1172 R1173 R1174 L1178 L1179 D1180 | K1172-Q1176 PolarHBondContact O-N 2.97Å; R1173-Q1176 PolarHBondContact O-N 2.94Å; R1174-Q1176 PolarHBondContact O-N 3.35Å; Q1176-L1178 VanDerWaalsContact C-N 3.3Å; Q1176-L1178 PolarHBondContact O-N 3.05Å; Q1176-L1179 WeakPolarHBondContact O-CB 3.49Å; Q1176-L1179 PolarHBondContact O-N 3.12Å; Q1176-L1179 VanDerWaalsContact O-N 3.08Å; Q1176-D1180 PolarHBondContact NE2-OD1 3.34Å; Q1176-D1180 PolarHBondContact O-N 3.37Å |
| 1177 | L | 94.6 | Very high | 93.1 | Very high | 119 Ų | 119 | 72.1 Ų | 72.1 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.7 | -36.8 | 177.5 | -69.9 | 169.3 | 0 | 0 | 0 | 112.6 | R1173 R1174 D1180 E1181 | R1173-L1177 WeakPolarHBondContact O-CG 3.33Å; R1173-L1177 PolarHBondContact O-N 3.14Å; R1174-L1177 PolarHBondContact O-N 2.94Å; L1177-D1180 PolarHBondContact O-N 3.22Å; L1177-E1181 WeakPolarHBondContact O-CB 3.47Å; L1177-E1181 PolarHBondContact O-N 3.29Å |
| 1178 | L | 92.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 77 Ų | 77 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | 174.3 | -66.8 | 166.9 | 0 | 0 | 0 | 112.1 | L1152 E1155 L1156 M1159 R1174 E1175 Q1176 L1182 | L1152-L1178 HydrophobicContact CD1-CB 4.44Å; L1152-L1178 HydrophobicContact CD1-CD2 3.42Å; L1152-L1178 VanDerWaalsContact CD1-CD2 3.42Å; E1155-L1178 HydrophobicContact CG-CD1 3.91Å; E1155-L1178 HydrophobicContact CG-CD2 4.3Å; E1155-L1178 WeakPolarHBondContact OE1-CD1 3.29Å; L1156-L1178 HydrophobicContact CB-CB 4.49Å; L1156-L1178 HydrophobicContact CD1-CB 4.15Å; M1159-L1178 HydrophobicContact CG-CD1 3.97Å; R1174-L1178 HydrophobicContact CG-CD1 4.04Å; R1174-L1178 HydrophobicContact CG-CG 4.38Å; R1174-L1178 WeakPolarHBondContact O-CG 3.37Å; R1174-L1178 PolarHBondContact O-N 3.46Å; E1175-L1178 PolarHBondContact O-N 3Å; Q1176-L1178 VanDerWaalsContact C-N 3.3Å; Q1176-L1178 PolarHBondContact O-N 3.05Å; L1178-L1182 VanDerWaalsContact O-CB 3.29Å; L1178-L1182 WeakPolarHBondContact O-CB 3.42Å; L1178-L1182 PolarHBondContact O-N 3.43Å |
| 1179 | L | 93.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 76.6 Ų | 76.6 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 172.5 | -77.4 | 161.9 | 0 | 0 | 0 | 111.5 | L1156 E1175 Q1176 L1182 V1183 | L1156-L1179 HydrophobicContact CD1-CD2 4.32Å; L1156-L1179 HydrophobicContact CD1-CG 3.96Å; L1156-L1179 HydrophobicContact CD2-CD2 3.68Å; L1156-L1179 HydrophobicContact CD2-CG 4.11Å; E1175-L1179 HydrophobicContact CG-CD1 4.48Å; E1175-L1179 WeakPolarHBondContact O-CG 3.46Å; E1175-L1179 PolarHBondContact O-N 2.69Å; Q1176-L1179 WeakPolarHBondContact O-CB 3.49Å; Q1176-L1179 PolarHBondContact O-N 3.12Å; Q1176-L1179 VanDerWaalsContact O-N 3.08Å; L1179-L1182 WeakPolarHBondContact O-CB 3.33Å; L1179-L1182 PolarHBondContact O-N 3.05Å; L1179-L1182 VanDerWaalsContact O-N 3.15Å; L1179-V1183 WeakPolarHBondContact O-CG2 3.29Å; L1179-V1183 PolarHBondContact O-N 2.83Å |
| 1180 | D | 93.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 75 Ų | 75 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.3 | -62.2 | -24.3 | 0 | 0 | 0 | 111 | Q1176 L1177 L1182 V1183 A1184 | Q1176-D1180 PolarHBondContact NE2-OD1 3.34Å; Q1176-D1180 PolarHBondContact O-N 3.37Å; L1177-D1180 PolarHBondContact O-N 3.22Å; D1180-L1182 VanDerWaalsContact C-N 3.33Å; D1180-L1182 PolarHBondContact O-N 2.94Å; D1180-V1183 PolarHBondContact O-N 3.16Å; D1180-A1184 WeakPolarHBondContact O-CB 3.43Å; D1180-A1184 PolarHBondContact O-N 3.25Å |
| 1181 | E | 94.1 | Very high | 91.8 | Very high | 104 Ų | 104 | 73.1 Ų | 73.1 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 173.7 | -171.5 | 171.5 | -162.9 | 0 | 0 | 112.1 | L1152 L1177 A1184 L1185 | L1152-E1181 HydrophobicContact CD1-CB 4.44Å; L1152-E1181 HydrophobicContact CD1-CG 4.43Å; L1152-E1181 HydrophobicContact CD2-CB 3.94Å; L1152-E1181 HydrophobicContact CD2-CG 3.87Å; L1177-E1181 WeakPolarHBondContact O-CB 3.47Å; L1177-E1181 PolarHBondContact O-N 3.29Å; E1181-A1184 CarbonylContact O-C 3.59Å; E1181-A1184 PolarHBondContact O-N 3.38Å; E1181-L1185 WeakPolarHBondContact O-CG 3.16Å; E1181-L1185 PolarHBondContact O-N 3.16Å |
| 1182 | L | 92.7 | Very high | 91.5 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 177.2 | -170.9 | 70.9 | 0 | 0 | 0 | 111.3 | Y1149 L1152 L1156 L1178 L1179 D1180 A1184 L1185 V1186 | Y1149-L1182 HydrophobicContact CD2-CD1 3.57Å; Y1149-L1182 HydrophobicContact CE2-CD1 3.57Å; Y1149-L1182 HydrophobicContact CE2-CG 4.33Å; Y1149-L1182 HydrophobicContact CG-CD1 4.34Å; L1152-L1182 HydrophobicContact CD2-CB 3.78Å; L1152-L1182 HydrophobicContact CD2-CD1 3.94Å; L1152-L1182 HydrophobicContact CG-CD1 4.46Å; L1156-L1182 HydrophobicContact CD2-CD2 3.83Å; L1178-L1182 VanDerWaalsContact O-CB 3.29Å; L1178-L1182 WeakPolarHBondContact O-CB 3.42Å; L1178-L1182 PolarHBondContact O-N 3.43Å; L1179-L1182 WeakPolarHBondContact O-CB 3.33Å; L1179-L1182 PolarHBondContact O-N 3.05Å; L1179-L1182 VanDerWaalsContact O-N 3.15Å; D1180-L1182 VanDerWaalsContact C-N 3.33Å; D1180-L1182 PolarHBondContact O-N 2.94Å; L1182-A1184 VanDerWaalsContact C-N 3.33Å; L1182-L1185 PolarHBondContact O-N 2.93Å; L1182-V1186 WeakPolarHBondContact O-CG2 3.24Å; L1182-V1186 PolarHBondContact O-N 2.89Å |
| 1183 | V | 93.4 | Very high | 91 | Very high | 84 Ų | 84 | 71 Ų | 71 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 171.3 | 173 | 0 | 0 | 0 | 0 | 110.3 | L1179 D1180 L1185 V1186 N1187 | L1179-V1183 WeakPolarHBondContact O-CG2 3.29Å; L1179-V1183 PolarHBondContact O-N 2.83Å; D1180-V1183 PolarHBondContact O-N 3.16Å; V1183-L1185 PolarHBondContact O-N 3.36Å; V1183-V1186 PolarHBondContact O-N 3.43Å; V1183-N1187 WeakPolarHBondContact O-CB 3.45Å; V1183-N1187 PolarHBondContact O-N 3.21Å; V1183-N1187 PolarHBondContact O-OD1 3.45Å |
| 1184 | A | 93.2 | Very high | 90.6 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1180 E1181 L1182 K1188 | D1180-A1184 WeakPolarHBondContact O-CB 3.43Å; D1180-A1184 PolarHBondContact O-N 3.25Å; E1181-A1184 CarbonylContact O-C 3.59Å; E1181-A1184 PolarHBondContact O-N 3.38Å; L1182-A1184 VanDerWaalsContact C-N 3.33Å; A1184-K1188 WeakPolarHBondContact O-CB 3.39Å; A1184-K1188 WeakPolarHBondContact O-CD 3.29Å; A1184-K1188 WeakPolarHBondContact O-CG 3.12Å; A1184-K1188 PolarHBondContact O-N 3.49Å |
| 1185 | L | 91.6 | Very high | 90 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 173.6 | -73.9 | 177.6 | 0 | 0 | 0 | 112.3 | L1145 R1148 L1152 E1181 L1182 V1183 K1188 R1189 | L1145-L1185 HydrophobicContact CD2-CD2 3.77Å; R1148-L1185 HydrophobicContact CB-CD1 3.87Å; R1148-L1185 HydrophobicContact CB-CD2 4.07Å; L1152-L1185 HydrophobicContact CB-CD1 4.44Å; L1152-L1185 HydrophobicContact CD2-CD1 3.67Å; E1181-L1185 WeakPolarHBondContact O-CG 3.16Å; E1181-L1185 PolarHBondContact O-N 3.16Å; L1182-L1185 PolarHBondContact O-N 2.93Å; V1183-L1185 PolarHBondContact O-N 3.36Å; L1185-K1188 PolarHBondContact O-N 3.26Å; L1185-R1189 PolarHBondContact O-N 3.27Å |
| 1186 | V | 89.2 | Confident | 88.9 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | Y1149 L1182 V1183 K1188 R1189 D1190 | Y1149-V1186 HydrophobicContact CE2-CG2 4.33Å; L1182-V1186 WeakPolarHBondContact O-CG2 3.24Å; L1182-V1186 PolarHBondContact O-N 2.89Å; V1183-V1186 PolarHBondContact O-N 3.43Å; V1186-K1188 VanDerWaalsContact C-N 3.29Å; V1186-K1188 PolarHBondContact O-N 2.9Å; V1186-R1189 PolarHBondContact O-N 2.91Å; V1186-R1189 VanDerWaalsContact O-N 3.14Å; V1186-D1190 WeakPolarHBondContact O-CB 3.27Å; V1186-D1190 PolarHBondContact O-N 3.33Å |
| 1187 | N | 90 | Very high | 88.1 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 177.5 | -67.5 | -9.3 | 0 | 0 | 0 | 112.4 | V1183 A1191 | V1183-N1187 WeakPolarHBondContact O-CB 3.45Å; V1183-N1187 PolarHBondContact O-N 3.21Å; V1183-N1187 PolarHBondContact O-OD1 3.45Å; N1187-A1191 WeakPolarHBondContact O-CB 3.12Å; N1187-A1191 PolarHBondContact O-N 3.37Å |
| 1188 | K | 90.3 | Very high | 87.4 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 173.1 | -75.4 | 163.2 | -172.4 | 169.4 | 0 | 112.5 | L1145 A1184 L1185 V1186 L1192 | L1145-K1188 HydrophobicContact CD1-CB 4.18Å; L1145-K1188 HydrophobicContact CD2-CB 4.22Å; A1184-K1188 WeakPolarHBondContact O-CB 3.39Å; A1184-K1188 WeakPolarHBondContact O-CD 3.29Å; A1184-K1188 WeakPolarHBondContact O-CG 3.12Å; A1184-K1188 PolarHBondContact O-N 3.49Å; L1185-K1188 PolarHBondContact O-N 3.26Å; V1186-K1188 VanDerWaalsContact C-N 3.29Å; V1186-K1188 PolarHBondContact O-N 2.9Å; K1188-L1192 WeakPolarHBondContact O-CG 3.42Å; K1188-L1192 PolarHBondContact O-N 3.26Å; K1188-L1192 VanDerWaalsContact O-N 3.12Å |
| 1189 | R | 86.9 | Confident | 86.4 | Confident | 69 Ų | 69 | 72 Ų | 72 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 175 | -172.2 | -177.3 | -172 | 159.1 | 2.3 | 111.1 | E1142 L1145 E1146 L1185 V1186 A1191 L1192 V1193 | E1142-R1189 IonicContact OE1-CZ 3.92Å; E1142-R1189 VanDerWaalsContact OE1-CZ 3.25Å; E1142-R1189 IonicContact OE1-NE 2.81Å; E1142-R1189 PolarHBondContact OE1-NE 3.02Å; E1142-R1189 VanDerWaalsContact OE1-NE 3.12Å; E1142-R1189 IonicContact OE1-NH2 2.93Å; E1142-R1189 PolarHBondContact OE1-NH2 2.84Å; L1145-R1189 HydrophobicContact CD1-CB 4.04Å; E1146-R1189 IonicContact OE1-CZ 3.63Å; E1146-R1189 IonicContact OE1-NH1 3.22Å; E1146-R1189 PolarHBondContact OE1-NH1 3.34Å; E1146-R1189 IonicContact OE1-NH2 2.66Å; E1146-R1189 PolarHBondContact OE1-NH2 2.86Å; L1185-R1189 PolarHBondContact O-N 3.27Å; V1186-R1189 PolarHBondContact O-N 2.91Å; V1186-R1189 VanDerWaalsContact O-N 3.14Å; R1189-A1191 VanDerWaalsContact C-N 3.33Å; R1189-A1191 PolarHBondContact O-N 2.85Å; R1189-L1192 PolarHBondContact O-N 3.42Å; R1189-V1193 WeakPolarHBondContact O-CG2 3.41Å; R1189-V1193 PolarHBondContact O-N 2.69Å |
| 1190 | D | 86.1 | Confident | 85.5 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 177.7 | 172.2 | 66.2 | 0 | 0 | 0 | 112.6 | V1186 V1193 R1194 | V1186-D1190 WeakPolarHBondContact O-CB 3.27Å; V1186-D1190 PolarHBondContact O-N 3.33Å; D1190-V1193 PolarHBondContact O-N 3.44Å; D1190-R1194 PolarHBondContact O-N 3.43Å; D1190-R1194 IonicContact OD1-NH1 2.83Å; D1190-R1194 PolarHBondContact OD1-NH1 3.11Å; D1190-R1194 IonicContact OD2-CZ 3.9Å; D1190-R1194 IonicContact OD2-NH1 2.8Å; D1190-R1194 PolarHBondContact OD2-NH1 3.24Å; D1190-R1194 IonicContact OD2-NH2 2.76Å; D1190-R1194 PolarHBondContact OD2-NH2 2.95Å |
| 1191 | A | 88.9 | Confident | 84.6 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -51 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1187 R1189 V1193 R1194 D1195 | N1187-A1191 WeakPolarHBondContact O-CB 3.12Å; N1187-A1191 PolarHBondContact O-N 3.37Å; R1189-A1191 VanDerWaalsContact C-N 3.33Å; R1189-A1191 PolarHBondContact O-N 2.85Å; A1191-V1193 PolarHBondContact O-N 2.93Å; A1191-R1194 PolarHBondContact O-N 3.09Å; A1191-D1195 VanDerWaalsContact O-CG 3.31Å; A1191-D1195 PolarHBondContact O-N 3.27Å |
| 1192 | L | 84.3 | Confident | 83.7 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 177.8 | -71.3 | 178.8 | 0 | 0 | 0 | 112.9 | L1138 K1141 L1145 K1188 R1189 L1196 | L1138-L1192 HydrophobicContact CD1-CB 4.2Å; L1138-L1192 HydrophobicContact CD1-CD2 4.43Å; K1141-L1192 HydrophobicContact CB-CD1 3.92Å; L1145-L1192 HydrophobicContact CD1-CD1 3.67Å; K1188-L1192 WeakPolarHBondContact O-CG 3.42Å; K1188-L1192 PolarHBondContact O-N 3.26Å; K1188-L1192 VanDerWaalsContact O-N 3.12Å; R1189-L1192 PolarHBondContact O-N 3.42Å; L1192-L1196 WeakPolarHBondContact O-CB 3.36Å; L1192-L1196 WeakPolarHBondContact O-CG 3.21Å; L1192-L1196 PolarHBondContact O-N 3.45Å |
| 1193 | V | 82.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 30% | 0.303 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -33.8 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | L1017 R1189 D1190 A1191 L1196 D1197 | L1017-V1193 HydrophobicContact CD2-CG1 3.96Å; R1189-V1193 WeakPolarHBondContact O-CG2 3.41Å; R1189-V1193 PolarHBondContact O-N 2.69Å; D1190-V1193 PolarHBondContact O-N 3.44Å; A1191-V1193 PolarHBondContact O-N 2.93Å; V1193-L1196 WeakPolarHBondContact O-CB 3.39Å; V1193-D1197 PolarHBondContact O-N 2.79Å |
| 1194 | R | 85.2 | Confident | 81.1 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 171.6 | -79.4 | -170.5 | -69.5 | -86.7 | -9.8 | 112.7 | D1190 A1191 L1196 D1197 A1198 | D1190-R1194 PolarHBondContact O-N 3.43Å; D1190-R1194 IonicContact OD1-NH1 2.83Å; D1190-R1194 PolarHBondContact OD1-NH1 3.11Å; D1190-R1194 IonicContact OD2-CZ 3.9Å; D1190-R1194 IonicContact OD2-NH1 2.8Å; D1190-R1194 PolarHBondContact OD2-NH1 3.24Å; D1190-R1194 IonicContact OD2-NH2 2.76Å; D1190-R1194 PolarHBondContact OD2-NH2 2.95Å; A1191-R1194 PolarHBondContact O-N 3.09Å; R1194-L1196 PolarHBondContact O-N 3.11Å; R1194-D1197 PolarHBondContact O-N 2.94Å; R1194-A1198 PolarHBondContact O-N 3.15Å; R1194-A1198 VanDerWaalsContact O-N 3.11Å |
| 1195 | D | 79.6 | Confident | 80.1 | Confident | 104 Ų | 104 | 83.4 Ų | 83.4 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.1 | -32.8 | 179.8 | -63.2 | -16.3 | 0 | 0 | 0 | 110.8 | A1191 Q1199 | A1191-D1195 VanDerWaalsContact O-CG 3.31Å; A1191-D1195 PolarHBondContact O-N 3.27Å; D1195-Q1199 WeakPolarHBondContact O-CB 3.34Å; D1195-Q1199 PolarHBondContact O-N 2.92Å; D1195-Q1199 VanDerWaalsContact O-N 3.09Å |
| 1196 | L | 70.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 86.4 Ų | 86.4 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -57.2 | 167.9 | -86 | 172.7 | 0 | 0 | 0 | 113.8 | L1138 L1192 V1193 R1194 A1198 Q1199 E1200 | L1138-L1196 HydrophobicContact CB-CD2 4.48Å; L1138-L1196 HydrophobicContact CD1-CD1 3.77Å; L1138-L1196 HydrophobicContact CD1-CD2 3.67Å; L1138-L1196 HydrophobicContact CD1-CG 3.41Å; L1138-L1196 VanDerWaalsContact CD1-CG 3.41Å; L1138-L1196 HydrophobicContact CD2-CD1 3.37Å; L1138-L1196 HydrophobicContact CD2-CD2 3.95Å; L1138-L1196 HydrophobicContact CD2-CG 3.91Å; L1138-L1196 HydrophobicContact CG-CD1 4.16Å; L1138-L1196 HydrophobicContact CG-CD2 4.2Å; L1138-L1196 HydrophobicContact CG-CG 4.2Å; L1192-L1196 WeakPolarHBondContact O-CB 3.36Å; L1192-L1196 WeakPolarHBondContact O-CG 3.21Å; L1192-L1196 PolarHBondContact O-N 3.45Å; V1193-L1196 WeakPolarHBondContact O-CB 3.39Å; R1194-L1196 PolarHBondContact O-N 3.11Å; L1196-A1198 PolarHBondContact O-N 2.96Å; L1196-Q1199 CarbonylContact O-C 3.51Å; L1196-Q1199 PolarHBondContact O-N 3.25Å; L1196-E1200 WeakPolarHBondContact O-CB 3.31Å; L1196-E1200 PolarHBondContact O-N 2.93Å |
| 1197 | D | 76.3 | Confident | 77.3 | Confident | 115 Ų | 115 | 85.2 Ų | 85.2 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.5 | -35.7 | -174.6 | -174.4 | 82.5 | 0 | 0 | 0 | 110.4 | V1193 R1194 K1201 | V1193-D1197 PolarHBondContact O-N 2.79Å; R1194-D1197 PolarHBondContact O-N 2.94Å; D1197-K1201 WeakPolarHBondContact O-CB 3.36Å; D1197-K1201 PolarHBondContact O-N 3.03Å |
| 1198 | A | 80.4 | Confident | 76.1 | Confident | 63 Ų | 63 | 85.6 Ų | 85.6 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1194 L1196 Q1202 | R1194-A1198 PolarHBondContact O-N 3.15Å; R1194-A1198 VanDerWaalsContact O-N 3.11Å; L1196-A1198 PolarHBondContact O-N 2.96Å; A1198-Q1202 WeakPolarHBondContact O-CB 3.4Å; A1198-Q1202 PolarHBondContact O-N 3.34Å |
| 1199 | Q | 72 | Confident | 74.8 | Confident | 100 Ų | 100 | 81.9 Ų | 81.9 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.5 | -41.7 | -176.5 | -176.2 | 171.1 | 54.1 | 0 | 0 | 113.5 | N1134 D1195 L1196 Q1202 A1203 | N1134-Q1199 PolarHBondContact ND2-NE2 3.45Å; D1195-Q1199 WeakPolarHBondContact O-CB 3.34Å; D1195-Q1199 PolarHBondContact O-N 2.92Å; D1195-Q1199 VanDerWaalsContact O-N 3.09Å; L1196-Q1199 CarbonylContact O-C 3.51Å; L1196-Q1199 PolarHBondContact O-N 3.25Å; Q1199-Q1202 PolarHBondContact O-N 3.4Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.19Å; Q1199-A1203 PolarHBondContact O-N 2.99Å |
| 1200 | E | 74.1 | Confident | 73.5 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 54% | 0.542 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 177.7 | -177.4 | 163 | -147.4 | 0 | 0 | 110.3 | L1196 Q1202 A1203 E1204 | L1196-E1200 WeakPolarHBondContact O-CB 3.31Å; L1196-E1200 PolarHBondContact O-N 2.93Å; E1200-Q1202 PolarHBondContact O-N 3.25Å; E1200-A1203 PolarHBondContact O-N 3.49Å; E1200-E1204 PolarHBondContact O-N 2.86Å |
| 1201 | K | 75.5 | Confident | 71.9 | Confident | 134 Ų | 134 | 83.8 Ų | 83.8 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.4 | -39.2 | 175.6 | -175.7 | 179.2 | 178 | -176 | 0 | 113.3 | D1197 A1203 E1204 E1205 | D1197-K1201 WeakPolarHBondContact O-CB 3.36Å; D1197-K1201 PolarHBondContact O-N 3.03Å; K1201-A1203 VanDerWaalsContact C-N 3.35Å; K1201-E1204 PolarHBondContact O-N 3.04Å; K1201-E1205 WeakPolarHBondContact O-CB 3.35Å; K1201-E1205 PolarHBondContact O-N 2.96Å |
| 1202 | Q | 74.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 87.6 Ų | 87.6 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 173 | -170.9 | -167.6 | -49.2 | 0 | 0 | 110.9 | A1198 Q1199 E1200 E1205 E1206 | A1198-Q1202 WeakPolarHBondContact O-CB 3.4Å; A1198-Q1202 PolarHBondContact O-N 3.34Å; Q1199-Q1202 PolarHBondContact O-N 3.4Å; E1200-Q1202 PolarHBondContact O-N 3.25Å; Q1202-E1205 PolarHBondContact O-N 2.97Å; Q1202-E1206 PolarHBondContact NE2-OE1 2.89Å; Q1202-E1206 WeakPolarHBondContact O-CB 3.48Å; Q1202-E1206 VanDerWaalsContact O-CG 3.31Å; Q1202-E1206 WeakPolarHBondContact O-CG 3.16Å; Q1202-E1206 PolarHBondContact O-N 3.46Å |
| 1203 | A | 64.1 | Low | 69.1 | Low | 20 Ų | 20 | 86.4 Ų | 86.4 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1199 E1200 K1201 D1207 | Q1199-A1203 WeakPolarHBondContact O-CB 3.19Å; Q1199-A1203 PolarHBondContact O-N 2.99Å; E1200-A1203 PolarHBondContact O-N 3.49Å; K1201-A1203 VanDerWaalsContact C-N 3.35Å; A1203-D1207 WeakPolarHBondContact O-CB 3.36Å; A1203-D1207 PolarHBondContact O-N 2.8Å |
| 1204 | E | 67.2 | Low | 67.6 | Low | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 173.6 | -170.8 | 170.3 | -132.6 | 0 | 0 | 111.4 | E1200 K1201 D1207 E1208 | E1200-E1204 PolarHBondContact O-N 2.86Å; K1201-E1204 PolarHBondContact O-N 3.04Å; E1204-D1207 PolarHBondContact O-N 3.47Å; E1204-E1208 WeakPolarHBondContact O-CB 3.48Å; E1204-E1208 PolarHBondContact O-N 3.36Å |
| 1205 | E | 71.4 | Confident | 66.1 | Low | 129 Ų | 129 | 86.6 Ų | 86.6 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 174.1 | -175.2 | 165.2 | -158.1 | 0 | 0 | 112.2 | K1201 Q1202 H1209 | K1201-E1205 WeakPolarHBondContact O-CB 3.35Å; K1201-E1205 PolarHBondContact O-N 2.96Å; Q1202-E1205 PolarHBondContact O-N 2.97Å; E1205-H1209 WeakPolarHBondContact O-CB 3.49Å; E1205-H1209 PolarHBondContact O-N 3.35Å; E1205-H1209 VanDerWaalsContact O-N 3.08Å |
| 1206 | E | 64.4 | Low | 64.8 | Low | 71 Ų | 71 | 87.2 Ų | 87.2 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 171.3 | -76.4 | 169.8 | -167.3 | 0 | 0 | 112.7 | R1131 Q1202 H1209 L1210 | R1131-E1206 IonicContact CZ-OE2 3.25Å; R1131-E1206 IonicContact NE-OE2 2.69Å; R1131-E1206 IonicContact NH2-OE2 3.15Å; R1131-E1206 PolarHBondContact NH2-OE2 2.96Å; Q1202-E1206 PolarHBondContact NE2-OE1 2.89Å; Q1202-E1206 WeakPolarHBondContact O-CB 3.48Å; Q1202-E1206 VanDerWaalsContact O-CG 3.31Å; Q1202-E1206 WeakPolarHBondContact O-CG 3.16Å; Q1202-E1206 PolarHBondContact O-N 3.46Å; E1206-H1209 PolarHBondContact O-CE1 2.92Å; E1206-L1210 PolarHBondContact O-N 3.14Å; E1206-L1210 VanDerWaalsContact O-N 3.1Å |
| 1207 | D | 59 | Low | 63.7 | Low | 48 Ų | 48 | 85.1 Ų | 85.1 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -82.4 | -43.4 | -175.5 | -78.3 | 6.5 | 0 | 0 | 0 | 113 | R1131 A1203 E1204 H1209 L1210 E1211 | R1131-D1207 IonicContact CZ-OD1 2.77Å; R1131-D1207 VanDerWaalsContact CZ-OD1 3.29Å; R1131-D1207 IonicContact CZ-OD2 2.67Å; R1131-D1207 IonicContact NH1-OD1 2.67Å; R1131-D1207 PolarHBondContact NH1-OD1 2.97Å; R1131-D1207 IonicContact NH1-OD2 3.26Å; R1131-D1207 PolarHBondContact NH1-OD2 3.08Å; R1131-D1207 IonicContact NH2-OD1 2.66Å; R1131-D1207 PolarHBondContact NH2-OD1 2.98Å; A1203-D1207 WeakPolarHBondContact O-CB 3.36Å; A1203-D1207 PolarHBondContact O-N 2.8Å; E1204-D1207 PolarHBondContact O-N 3.47Å; D1207-H1209 PolarHBondContact O-N 2.86Å; D1207-L1210 PolarHBondContact O-N 3.34Å; D1207-L1210 VanDerWaalsContact O-N 3.13Å; D1207-E1211 PolarHBondContact O-N 2.99Å |
| 1208 | E | 63.9 | Low | 62.4 | Low | 99 Ų | 99 | 86.3 Ų | 86.3 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.9 | -39.2 | 168.3 | -79.4 | -157.6 | 167.9 | 0 | 0 | 110.3 | E1204 E1211 R1212 | E1204-E1208 WeakPolarHBondContact O-CB 3.48Å; E1204-E1208 PolarHBondContact O-N 3.36Å; E1208-E1211 PolarHBondContact O-N 3.46Å; E1208-R1212 VanDerWaalsContact O-CB 3.28Å; E1208-R1212 WeakPolarHBondContact O-CB 3.36Å; E1208-R1212 WeakPolarHBondContact O-CG 3.42Å; E1208-R1212 PolarHBondContact O-N 2.85Å; E1208-R1212 PolarHBondContact O-NE 3.49Å; E1208-R1212 IonicContact OE2-CZ 3.47Å; E1208-R1212 IonicContact OE2-NE 3.86Å; E1208-R1212 PolarHBondContact OE2-NE 3.27Å; E1208-R1212 IonicContact OE2-NH2 2.67Å; E1208-R1212 PolarHBondContact OE2-NH2 2.75Å |
| 1209 | H | 63.2 | Low | 60.7 | Low | 36 Ų | 36 | 85 Ų | 85 | 17% | 0.167 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.4 | 169.5 | -88.3 | 0 | 0 | 0 | 111.7 | G515 E1205 E1206 D1207 R1212 T1213 | G515-H1209 PolarHBondContact O-NE2 2.99Å; E1205-H1209 WeakPolarHBondContact O-CB 3.49Å; E1205-H1209 PolarHBondContact O-N 3.35Å; E1205-H1209 VanDerWaalsContact O-N 3.08Å; E1206-H1209 PolarHBondContact O-CE1 2.92Å; D1207-H1209 PolarHBondContact O-N 2.86Å; H1209-R1212 PolarHBondContact O-N 3.3Å; H1209-T1213 PolarHBondContact NE2-OG1 3.5Å; H1209-T1213 VanDerWaalsContact NE2-OG1 3.13Å; H1209-T1213 PolarHBondContact O-N 3.48Å; H1209-T1213 PolarHBondContact O-OG1 3Å |
| 1210 | L | 58.9 | Low | 59.6 | Low | 86 Ų | 86 | 84 Ų | 84 | 45% | 0.45 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.3 | -173.6 | 64.5 | 0 | 0 | 0 | 111.7 | E1206 D1207 T1213 L1214 | E1206-L1210 PolarHBondContact O-N 3.14Å; E1206-L1210 VanDerWaalsContact O-N 3.1Å; D1207-L1210 PolarHBondContact O-N 3.34Å; D1207-L1210 VanDerWaalsContact O-N 3.13Å; L1210-T1213 WeakPolarHBondContact O-CB 3.09Å; L1210-T1213 PolarHBondContact O-N 2.78Å; L1210-L1214 HydrophobicContact CG-CD1 4.25Å; L1210-L1214 WeakPolarHBondContact O-CG 3.47Å; L1210-L1214 PolarHBondContact O-N 3.44Å |
| 1211 | E | 52.7 | Low | 58.2 | Low | 96 Ų | 96 | 83 Ų | 83 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.6 | -172.5 | 162.4 | -129.8 | 0 | 0 | 111.2 | D1207 E1208 T1213 L1214 E1215 | D1207-E1211 PolarHBondContact O-N 2.99Å; E1208-E1211 PolarHBondContact O-N 3.46Å; E1211-T1213 VanDerWaalsContact C-N 3.29Å; E1211-T1213 PolarHBondContact O-N 2.69Å; E1211-L1214 PolarHBondContact O-N 3.39Å; E1211-L1214 VanDerWaalsContact O-N 3.15Å; E1211-E1215 WeakPolarHBondContact O-CG 3.25Å; E1211-E1215 PolarHBondContact O-N 3.05Å |
| 1212 | R | 60.3 | Low | 56.8 | Low | 112 Ų | 112 | 79.1 Ų | 79.1 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 174.4 | -74.3 | -179.1 | -108.9 | 121 | -10.7 | 112.3 | E1208 H1209 Q1216 | E1208-R1212 VanDerWaalsContact O-CB 3.28Å; E1208-R1212 WeakPolarHBondContact O-CB 3.36Å; E1208-R1212 WeakPolarHBondContact O-CG 3.42Å; E1208-R1212 PolarHBondContact O-N 2.85Å; E1208-R1212 PolarHBondContact O-NE 3.49Å; E1208-R1212 IonicContact OE2-CZ 3.47Å; E1208-R1212 IonicContact OE2-NE 3.86Å; E1208-R1212 PolarHBondContact OE2-NE 3.27Å; E1208-R1212 IonicContact OE2-NH2 2.67Å; E1208-R1212 PolarHBondContact OE2-NH2 2.75Å; H1209-R1212 PolarHBondContact O-N 3.3Å; R1212-Q1216 WeakPolarHBondContact O-CG 3.4Å; R1212-Q1216 PolarHBondContact O-N 2.85Å |
| 1213 | T | 55.6 | Low | 55.5 | Low | 20 Ų | 20 | 80.6 Ų | 80.6 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | H1209 L1210 E1211 Q1216 N1217 | H1209-T1213 PolarHBondContact NE2-OG1 3.5Å; H1209-T1213 VanDerWaalsContact NE2-OG1 3.13Å; H1209-T1213 PolarHBondContact O-N 3.48Å; H1209-T1213 PolarHBondContact O-OG1 3Å; L1210-T1213 WeakPolarHBondContact O-CB 3.09Å; L1210-T1213 PolarHBondContact O-N 2.78Å; E1211-T1213 VanDerWaalsContact C-N 3.29Å; E1211-T1213 PolarHBondContact O-N 2.69Å; T1213-Q1216 PolarHBondContact O-N 3.24Å; T1213-N1217 PolarHBondContact O-N 3.03Å |
| 1214 | L | 51.3 | Low | 54.6 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 179.1 | -68.7 | 166.5 | 0 | 0 | 0 | 112.3 | L1210 E1211 N1217 K1218 | L1210-L1214 HydrophobicContact CG-CD1 4.25Å; L1210-L1214 WeakPolarHBondContact O-CG 3.47Å; L1210-L1214 PolarHBondContact O-N 3.44Å; E1211-L1214 PolarHBondContact O-N 3.39Å; E1211-L1214 VanDerWaalsContact O-N 3.15Å; L1214-N1217 PolarHBondContact O-N 3.21Å; L1214-K1218 WeakPolarHBondContact O-CD 3.3Å; L1214-K1218 VanDerWaalsContact O-CG 3.28Å; L1214-K1218 WeakPolarHBondContact O-CG 3.09Å; L1214-K1218 PolarHBondContact O-N 3.24Å |
| 1215 | E | 52.1 | Low | 53.5 | Low | 128 Ų | 128 | 87 Ų | 87 | 60% | 0.598 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 174.9 | -71.9 | -154.8 | 134.1 | 0 | 0 | 112.4 | E1211 N1217 K1218 G1219 | E1211-E1215 WeakPolarHBondContact O-CG 3.25Å; E1211-E1215 PolarHBondContact O-N 3.05Å; E1215-N1217 VanDerWaalsContact C-N 3.28Å; E1215-N1217 PolarHBondContact O-N 3.15Å; E1215-K1218 PolarHBondContact O-N 2.84Å; E1215-G1219 PolarHBondContact O-N 2.67Å |
| 1216 | Q | 53.2 | Low | 52.3 | Low | 117 Ų | 117 | 88.4 Ų | 88.4 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 173.7 | -78.5 | -164 | 26.8 | 0 | 0 | 112.1 | R1212 T1213 G1219 K1220 | R1212-Q1216 WeakPolarHBondContact O-CG 3.4Å; R1212-Q1216 PolarHBondContact O-N 2.85Å; T1213-Q1216 PolarHBondContact O-N 3.24Å; Q1216-G1219 PolarHBondContact O-N 2.78Å; Q1216-K1220 WeakPolarHBondContact O-CD 3.37Å; Q1216-K1220 WeakPolarHBondContact O-CG 3.38Å; Q1216-K1220 PolarHBondContact O-N 2.99Å |
| 1217 | N | 47.5 | Very low | 51.3 | Low | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.027 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 178.3 | -75.3 | -8.4 | 0 | 0 | 0 | 112.6 | E551 T1213 L1214 E1215 G1219 K1220 M1221 | E551-N1217 WeakPolarHBondContact OE1-CB 3.02Å; E551-N1217 PolarHBondContact OE1-ND2 3.07Å; T1213-N1217 PolarHBondContact O-N 3.03Å; L1214-N1217 PolarHBondContact O-N 3.21Å; E1215-N1217 VanDerWaalsContact C-N 3.28Å; E1215-N1217 PolarHBondContact O-N 3.15Å; N1217-G1219 VanDerWaalsContact C-N 3.29Å; N1217-G1219 PolarHBondContact O-N 2.8Å; N1217-K1220 PolarHBondContact O-N 3.1Å; N1217-K1220 VanDerWaalsContact O-N 3.08Å; N1217-K1220 PolarHBondContact OD1-NZ 3.08Å; N1217-K1220 VanDerWaalsContact OD1-NZ 3.12Å; N1217-M1221 WeakPolarHBondContact O-CG 3.44Å; N1217-M1221 PolarHBondContact O-N 3.44Å |
| 1218 | K | 49 | Very low | 50.5 | Low | 140 Ų | 140 | 96.6 Ų | 96.6 | 61% | 0.609 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -55.5 | -44.2 | 170.9 | -69.5 | 163.1 | -173 | 169.5 | 0 | 111.4 | L1214 E1215 K1220 M1221 A1222 | L1214-K1218 WeakPolarHBondContact O-CD 3.3Å; L1214-K1218 VanDerWaalsContact O-CG 3.28Å; L1214-K1218 WeakPolarHBondContact O-CG 3.09Å; L1214-K1218 PolarHBondContact O-N 3.24Å; E1215-K1218 PolarHBondContact O-N 2.84Å; K1218-K1220 PolarHBondContact O-N 2.78Å; K1218-M1221 PolarHBondContact O-N 3.39Å; K1218-A1222 PolarHBondContact O-N 3.3Å; K1218-A1222 VanDerWaalsContact O-N 3.14Å |
| 1219 | G | 45.2 | Very low | 49.4 | Very low | 35 Ų | 35 | 97.9 Ų | 97.9 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -32.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1215 Q1216 N1217 K1223 | E1215-G1219 PolarHBondContact O-N 2.67Å; Q1216-G1219 PolarHBondContact O-N 2.78Å; N1217-G1219 VanDerWaalsContact C-N 3.29Å; N1217-G1219 PolarHBondContact O-N 2.8Å; G1219-K1223 WeakPolarHBondContact O-CG 3.48Å |
| 1220 | K | 48 | Very low | 48.4 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 34% | 0.339 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.7 | -33.7 | 173.6 | -68.6 | 161 | -160.5 | 162.5 | 0 | 112 | Q1216 N1217 K1218 K1224 | Q1216-K1220 WeakPolarHBondContact O-CD 3.37Å; Q1216-K1220 WeakPolarHBondContact O-CG 3.38Å; Q1216-K1220 PolarHBondContact O-N 2.99Å; N1217-K1220 PolarHBondContact O-N 3.1Å; N1217-K1220 VanDerWaalsContact O-N 3.08Å; N1217-K1220 PolarHBondContact OD1-NZ 3.08Å; N1217-K1220 VanDerWaalsContact OD1-NZ 3.12Å; K1218-K1220 PolarHBondContact O-N 2.78Å; K1220-K1224 PolarHBondContact O-N 2.72Å |
| 1221 | M | 44.9 | Very low | 47.1 | Very low | 97 Ų | 97 | 113 Ų | 113 | 48% | 0.478 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.6 | -48.5 | 179 | -72.2 | -65.5 | -77.7 | 0 | 0 | 112.3 | N1217 K1218 K1223 K1224 E1225 | N1217-M1221 WeakPolarHBondContact O-CG 3.44Å; N1217-M1221 PolarHBondContact O-N 3.44Å; K1218-M1221 PolarHBondContact O-N 3.39Å; M1221-K1223 VanDerWaalsContact C-N 3.25Å; M1221-K1223 PolarHBondContact O-N 2.68Å; M1221-K1224 WeakPolarHBondContact O-CA 3.02Å; M1221-K1224 WeakPolarHBondContact O-CB 3.41Å; M1221-K1224 PolarHBondContact O-N 3.02Å; M1221-E1225 PolarHBondContact O-N 2.77Å |
| 1222 | A | 45.5 | Very low | 46.8 | Very low | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -55.7 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1218 K1224 E1225 E1226 | K1218-A1222 PolarHBondContact O-N 3.3Å; K1218-A1222 VanDerWaalsContact O-N 3.14Å; A1222-K1224 VanDerWaalsContact C-N 3.26Å; A1222-K1224 PolarHBondContact O-N 2.87Å; A1222-E1225 PolarHBondContact O-N 2.74Å; A1222-E1226 PolarHBondContact O-N 2.97Å |
| 1223 | K | 47.6 | Very low | 46.1 | Very low | 147 Ų | 147 | 113.9 Ų | 113.9 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.8 | -11.5 | 175.8 | -71.4 | 177.4 | 179.7 | 176.8 | 0 | 114.9 | G1219 M1221 | G1219-K1223 WeakPolarHBondContact O-CG 3.48Å; M1221-K1223 VanDerWaalsContact C-N 3.25Å; M1221-K1223 PolarHBondContact O-N 2.68Å |
| 1224 | K | 46.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -87 | -37.5 | 169.3 | -81 | 177 | 178 | 169.7 | 0 | 111.4 | K1220 M1221 A1222 K1227 | K1220-K1224 PolarHBondContact O-N 2.72Å; M1221-K1224 WeakPolarHBondContact O-CA 3.02Å; M1221-K1224 WeakPolarHBondContact O-CB 3.41Å; M1221-K1224 PolarHBondContact O-N 3.02Å; A1222-K1224 VanDerWaalsContact C-N 3.26Å; A1222-K1224 PolarHBondContact O-N 2.87Å; K1224-K1227 PolarHBondContact O-N 2.72Å |
| 1225 | E | 43 | Very low | 45.3 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -44.7 | 177.4 | -64.8 | -174.7 | 152.1 | 0 | 0 | 111.5 | M1221 A1222 K1227 C1228 | M1221-E1225 PolarHBondContact O-N 2.77Å; A1222-E1225 PolarHBondContact O-N 2.74Å; E1225-K1227 PolarHBondContact O-N 3.34Å; E1225-K1227 VanDerWaalsContact O-N 3.13Å; E1225-C1228 PolarHBondContact O-N 3.24Å; E1225-C1228 VanDerWaalsContact O-N 3.07Å |
| 1226 | E | 46.8 | Very low | 44.8 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -21 | 174.5 | -69.7 | -170.2 | 142.9 | 0 | 0 | 114.2 | A1222 | A1222-E1226 PolarHBondContact O-N 2.97Š|
| 1227 | K | 43.3 | Very low | 44.3 | Very low | 180 Ų | 180 | 122.5 Ų | 122.5 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -0 | 177.9 | -75.3 | -172.5 | 174.8 | -175.1 | 0 | 114 | K1224 E1225 V1229 | K1224-K1227 PolarHBondContact O-N 2.72Å; E1225-K1227 PolarHBondContact O-N 3.34Å; E1225-K1227 VanDerWaalsContact O-N 3.13Å; K1227-V1229 VanDerWaalsContact C-N 3.32Å; K1227-V1229 PolarHBondContact O-N 2.59Å |
| 1228 | C | 42.8 | Very low | 44 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 75% | 0.75 | 66% | 0.662 | S | S | * | * | trans | -94.9 | 49.7 | 178.1 | -151.1 | 0 | 0 | 0 | 0 | 112.5 | E1225 | E1225-C1228 PolarHBondContact O-N 3.24Å; E1225-C1228 VanDerWaalsContact O-N 3.07Å | ||
| 1229 | V | 39.2 | Very low | 43.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -105.1 | 128.9 | 167.2 | -178 | 0 | 0 | 0 | 0 | 107.7 | K1227 | K1227-V1229 VanDerWaalsContact C-N 3.32Å; K1227-V1229 PolarHBondContact O-N 2.59Å |
| 1230 | L | 42 | Very low | 43.5 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 92% | 0.916 | 69% | 0.691 | S | S | * | * | trans | -59.3 | 144.4 | -167.2 | -71.9 | 85.8 | 0 | 0 | 0 | 113.8 | ||||
| 1231 | Q | 32.8 | Very low | 43.1 | Very low | 265 Ų | 265 | 143.6 Ų | 143.6 | 100% | 1.238 | 72% | 0.723 | S | S | * | * | trans | -131.3 | 0 | 160.3 | -173.5 | 171.6 | 21.5 | 0 | 0 | 109.8 |
Retrieved 1,231 of 1,231 residues in 1613.9 ms
(Link to these results)