| 1 | M | 87.9 | Confident | 93 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 16% | 0.163 | 31% | 0.312 | C | S | . | . | | | | 0 | 117.5 | 0 | -61.6 | -166.5 | 84.8 | 0 | 0 | 114.2 | C16 G17 G19 V135 A136 L139 D141 | M1-C16 HydrophobicContact CB-CB 3.84Å; M1-C16 PolarHBondContact O-N 3.21Å; M1-G17 PolarHBondContact N-O 3.41Å; M1-G19 WeakPolarHBondContact SD-CA 3Å; M1-V135 HydrophobicContact CE-CG1 3.49Å; M1-V135 VanDerWaalsContact CE-CG1 3.49Å; M1-V135 HydrophobicContact SD-CG1 3.84Å; M1-A136 HydrophobicContact SD-CB 3.99Å; M1-L139 HydrophobicContact CE-CB 4.14Å; M1-L139 WeakPolarHBondContact CE-O 3.43Å; M1-D141 WeakPolarHBondContact CA-OD1 3.18Å; M1-D141 WeakPolarHBondContact CA-OD2 3.37Å; M1-D141 WeakPolarHBondContact CG-OD1 3.32Å; M1-D141 PolarHBondContact N-OD1 2.8Å; M1-D141 PolarHBondContact N-OD2 3.16Å |
| 2 | K | 91.6 | Very high | 93.2 | Very high | 137 Ų | 137 | 57.8 Ų | 57.8 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.6 | 155 | -66.3 | 175.8 | -177.6 | 173.2 | 0 | 107.7 | V13 V14 D141 | K2-V13 HydrophobicContact CB-CG1 4.21Å; K2-V14 WeakPolarHBondContact CA-O 3.49Å; K2-D141 PolarHBondContact N-OD2 3.48Å; K2-D141 CarbonylContact O-C 3.59Å |
| 3 | V | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 143.9 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 109 | V5 V14 L26 V135 L139 L145 | V3-V5 HydrophobicContact CG1-CG2 4.22Å; V3-V14 PolarHBondContact N-O 3.47Å; V3-V14 PolarHBondContact O-N 3.2Å; V3-L26 HydrophobicContact CB-CD1 4.18Å; V3-L26 HydrophobicContact CG1-CD2 4.42Å; V3-L26 HydrophobicContact CG2-CD1 4.48Å; V3-V135 HydrophobicContact CG2-CG1 4.18Å; V3-L139 HydrophobicContact CG1-CD1 4.34Å; V3-L139 HydrophobicContact CG2-CD1 4.29Å; V3-L145 HydrophobicContact CG1-CD1 3.86Å; V3-L145 HydrophobicContact CG1-CG 3.95Å |
| 4 | T | 95.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.7 | 174.4 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | K11 E143 L144 L145 | T4-K11 HydrophobicContact CG2-CB 4.22Å; T4-E143 PolarHBondContact N-O 2.77Å; T4-L144 HydrophobicContact CG2-CD1 3.84Å; T4-L144 HydrophobicContact CG2-CG 4.49Å; T4-L144 CarbonylContact O-C 3.54Å; T4-L144 WeakPolarHBondContact O-CA 3.49Å; T4-L145 PolarHBondContact O-N 3.27Å |
| 5 | V | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.8 | -177.7 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | V3 F7 V12 V14 A30 L120 L145 V147 | V3-V5 HydrophobicContact CG1-CG2 4.22Å; V5-F7 HydrophobicContact CB-CE2 4.36Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE2 3.8Å; V5-F7 HydrophobicContact CG1-CZ 4.31Å; V5-V12 PolarHBondContact N-O 3.34Å; V5-V12 WeakPolarHBondContact O-CA 3.1Å; V5-V12 WeakPolarHBondContact O-CB 2.67Å; V5-V12 PolarHBondContact O-N 2.76Å; V5-V14 HydrophobicContact CG2-CG2 4.05Å; V5-A30 HydrophobicContact CB-CB 3.99Å; V5-A30 HydrophobicContact CG1-CB 3.89Å; V5-A30 HydrophobicContact CG2-CB 4.01Å; V5-L120 HydrophobicContact CG1-CD2 3.9Å; V5-L145 HydrophobicContact CG1-CB 4.49Å; V5-L145 HydrophobicContact CG2-CB 4.47Å; V5-L145 HydrophobicContact CG2-CD1 4.46Å; V5-V147 HydrophobicContact CG1-CB 4.45Å; V5-V147 HydrophobicContact CG1-CG2 3.32Å |
| 6 | C | 95.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.5 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | V10 L145 V147 | C6-V10 WeakPolarHBondContact CA-O 3.23Å; C6-L145 WeakPolarHBondContact CB-O 3.23Å; C6-L145 PolarHBondContact N-O 3.35Å; C6-V147 PolarHBondContact O-N 3.19Å |
| 7 | F | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 99.2 | 168.2 | -66 | -100.7 | 0 | 0 | 0 | 106.5 | V5 D9 V10 V12 A30 L31 F34 V117 V147 F149 | V5-F7 HydrophobicContact CB-CE2 4.36Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE2 3.8Å; V5-F7 HydrophobicContact CG1-CZ 4.31Å; F7-D9 PolarHBondContact O-N 2.69Å; F7-V10 PolarHBondContact N-O 3.28Å; F7-V10 WeakPolarHBondContact O-CB 2.98Å; F7-V10 PolarHBondContact O-N 2.78Å; F7-V12 HydrophobicContact CD2-CG2 3.9Å; F7-V12 HydrophobicContact CE2-CB 4.48Å; F7-V12 HydrophobicContact CE2-CG2 4.24Å; F7-A30 HydrophobicContact CE2-CB 3.79Å; F7-A30 HydrophobicContact CZ-CB 3.76Å; F7-L31 HydrophobicContact CD1-CD1 4.5Å; F7-L31 HydrophobicContact CE1-CD1 3.63Å; F7-L31 HydrophobicContact CZ-CB 4.44Å; F7-L31 HydrophobicContact CZ-CD1 4.21Å; F7-F34 HydrophobicContact CB-CD1 4.45Å; F7-F34 HydrophobicContact CB-CD2 3.37Å; F7-F34 HydrophobicContact CB-CE1 4.43Å; F7-F34 HydrophobicContact CB-CE2 3.34Å; F7-F34 HydrophobicContact CB-CG 3.95Å; F7-F34 HydrophobicContact CB-CZ 3.9Å; F7-F34 HydrophobicContact CD1-CB 4.29Å; F7-F34 AromaticContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD2 4.24Å; F7-F34 HydrophobicContact CD1-CE1 4.32Å; F7-F34 AromaticContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD2-CB 3.72Å; F7-F34 AromaticContact CD2-CD2 3.86Å; F7-F34 HydrophobicContact CD2-CD2 3.86Å; F7-F34 AromaticContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CE1-CB 4.3Å; F7-F34 HydrophobicContact CE1-CD1 4.36Å; F7-F34 HydrophobicContact CE1-CG 4.34Å; F7-F34 HydrophobicContact CE2-CB 3.73Å; F7-F34 HydrophobicContact CE2-CG 4.3Å; F7-F34 HydrophobicContact CG-CB 4.01Å; F7-F34 HydrophobicContact CG-CD1 4.15Å; F7-F34 AromaticContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CE2 4.01Å; F7-F34 AromaticContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CZ 4.45Å; F7-F34 HydrophobicContact CZ-CB 4.04Å; F7-V117 HydrophobicContact CE1-CG2 4.41Å; F7-V147 HydrophobicContact CD1-CB 3.97Å; F7-V147 HydrophobicContact CD1-CG1 3.67Å; F7-V147 HydrophobicContact CD1-CG2 4.37Å; F7-V147 HydrophobicContact CE1-CB 4Å; F7-V147 HydrophobicContact CE1-CG1 3.59Å; F7-V147 HydrophobicContact CE1-CG2 3.97Å; F7-V147 HydrophobicContact CE2-CG2 4.32Å; F7-V147 HydrophobicContact CG-CB 4.37Å; F7-V147 HydrophobicContact CZ-CB 4.42Å; F7-V147 HydrophobicContact CZ-CG1 4.38Å; F7-V147 HydrophobicContact CZ-CG2 3.94Å; F7-F149 HydrophobicContact CB-CE1 4.01Å; F7-F149 HydrophobicContact CB-CZ 3.93Å; F7-F149 HydrophobicContact CD1-CD1 4.14Å; F7-F149 HydrophobicContact CD1-CD2 4.1Å; F7-F149 HydrophobicContact CD1-CE1 4.2Å; F7-F149 HydrophobicContact CD1-CE2 4.15Å; F7-F149 HydrophobicContact CD1-CG 4.11Å; F7-F149 HydrophobicContact CD1-CZ 4.21Å |
| 8 | D | 91.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -125.7 | -163.9 | -49.2 | -38.8 | 0 | 0 | 0 | 110.2 | V10 F149 | D8-V10 VanDerWaalsContact C-N 3.26Å; D8-V10 PolarHBondContact O-N 3.31Å; D8-F149 WeakPolarHBondContact OD2-CZ 3.45Å |
| 9 | D | 89.2 | Confident | 93 | Very high | 157 Ų | 157 | 52.8 Ų | 52.8 | 84% | 0.84 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.2 | 177.6 | -55.9 | -45.7 | 0 | 0 | 0 | 114.1 | F7 K11 | F7-D9 PolarHBondContact O-N 2.69Å; D9-K11 PolarHBondContact O-N 3.43Å |
| 10 | V | 92.3 | Very high | 93 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 107.8 | -169.5 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | C6 F7 D8 V12 F34 T38 | C6-V10 WeakPolarHBondContact CA-O 3.23Å; F7-V10 PolarHBondContact N-O 3.28Å; F7-V10 WeakPolarHBondContact O-CB 2.98Å; F7-V10 PolarHBondContact O-N 2.78Å; D8-V10 VanDerWaalsContact C-N 3.26Å; D8-V10 PolarHBondContact O-N 3.31Å; V10-V12 HydrophobicContact CG1-CG2 4.03Å; V10-F34 HydrophobicContact CB-CD2 4.01Å; V10-F34 HydrophobicContact CB-CE2 3.86Å; V10-F34 HydrophobicContact CG1-CD2 3.88Å; V10-F34 HydrophobicContact CG1-CE2 4.16Å; V10-F34 HydrophobicContact CG2-CE2 4.03Å; V10-T38 HydrophobicContact CG2-CG2 4.33Å |
| 11 | K | 95.1 | Very high | 93.1 | Very high | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.8 | 180 | -51.4 | -165 | 177.5 | 176.7 | 0 | 111.5 | T4 D9 | T4-K11 HydrophobicContact CG2-CB 4.22Å; D9-K11 PolarHBondContact O-N 3.43Å |
| 12 | V | 94.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 115.9 | -168.5 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | V5 F7 V10 R33 F34 | V5-V12 PolarHBondContact N-O 3.34Å; V5-V12 WeakPolarHBondContact O-CA 3.1Å; V5-V12 WeakPolarHBondContact O-CB 2.67Å; V5-V12 PolarHBondContact O-N 2.76Å; F7-V12 HydrophobicContact CD2-CG2 3.9Å; F7-V12 HydrophobicContact CE2-CB 4.48Å; F7-V12 HydrophobicContact CE2-CG2 4.24Å; V10-V12 HydrophobicContact CG1-CG2 4.03Å; V12-R33 HydrophobicContact CG1-CB 3.25Å; V12-R33 HydrophobicContact CG1-CG 4.38Å; V12-F34 HydrophobicContact CG2-CB 4.13Å; V12-F34 HydrophobicContact CG2-CD2 4.45Å |
| 13 | V | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.6 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | K2 R33 | K2-V13 HydrophobicContact CB-CG1 4.21Å; V13-R33 WeakPolarHBondContact O-CD 3.29Å; V13-R33 PolarHBondContact O-NH1 2.98Å |
| 14 | V | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.9 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | K2 V3 V5 C16 L26 M29 A30 | K2-V14 WeakPolarHBondContact CA-O 3.49Å; V3-V14 PolarHBondContact N-O 3.47Å; V3-V14 PolarHBondContact O-N 3.2Å; V5-V14 HydrophobicContact CG2-CG2 4.05Å; V14-C16 PolarHBondContact O-N 3.24Å; V14-C16 PolarHBondContact O-SG 2.87Å; V14-L26 HydrophobicContact CB-CD1 4.04Å; V14-L26 HydrophobicContact CG1-CD1 3.91Å; V14-M29 HydrophobicContact CG1-CB 3.75Å; V14-M29 HydrophobicContact CG1-CE 4.35Å; V14-M29 HydrophobicContact CG1-SD 4.45Å; V14-A30 HydrophobicContact CG2-CB 3.8Å |
| 15 | P | 93 | Very high | 93.9 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121 | 170.5 | 30.7 | -31.3 | 0 | 0 | 0 | 109.2 | | |
| 16 | C | 92.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | | | trans | -107.4 | 6.5 | -173.4 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | M1 V14 N18 G19 I21 L26 V135 | M1-C16 HydrophobicContact CB-CB 3.84Å; M1-C16 PolarHBondContact O-N 3.21Å; V14-C16 PolarHBondContact O-N 3.24Å; V14-C16 PolarHBondContact O-SG 2.87Å; C16-N18 PolarHBondContact O-N 3.27Å; C16-G19 WeakPolarHBondContact O-CA 3.16Å; C16-G19 PolarHBondContact O-N 3.37Å; C16-I21 HydrophobicContact CB-CD1 3.76Å; C16-I21 HydrophobicContact CB-CG1 4.34Å; C16-L26 WeakPolarHBondContact SG-CD1 3.19Å; C16-V135 HydrophobicContact CB-CG1 4.06Å |
| 17 | G | 91.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -121.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | M1 | M1-G17 PolarHBondContact N-O 3.41Š|
| 18 | N | 91 | Very high | 93.8 | Very high | 119 Ų | 119 | 53.7 Ų | 53.7 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.5 | 171.9 | 64.1 | -16.3 | 0 | 0 | 0 | 113.6 | C16 S20 | C16-N18 PolarHBondContact O-N 3.27Å; N18-S20 PolarHBondContact OD1-N 3.45Å; N18-S20 VanDerWaalsContact OD1-N 3.14Å; N18-S20 PolarHBondContact OD1-OG 2.8Å; N18-S20 VanDerWaalsContact OD1-OG 3.05Å |
| 19 | G | 92.5 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 80.9 | 12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1 C16 I21 V135 A136 | M1-G19 WeakPolarHBondContact SD-CA 3Å; C16-G19 WeakPolarHBondContact O-CA 3.16Å; C16-G19 PolarHBondContact O-N 3.37Å; G19-I21 PolarHBondContact O-N 2.96Å; G19-V135 PolarHBondContact O-N 3.32Å; G19-A136 WeakPolarHBondContact O-CB 3.35Å; G19-A136 PolarHBondContact O-N 2.71Å |
| 20 | S | 93 | Very high | 94.3 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | | | trans | -69.8 | -12.7 | 177.1 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | N18 R134 | N18-S20 PolarHBondContact OD1-N 3.45Å; N18-S20 VanDerWaalsContact OD1-N 3.14Å; N18-S20 PolarHBondContact OD1-OG 2.8Å; N18-S20 VanDerWaalsContact OD1-OG 3.05Å; S20-R134 PolarHBondContact O-NH1 2.97Å; S20-R134 VanDerWaalsContact O-NH1 3.15Å |
| 21 | I | 94.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.9 | 154.7 | 175.5 | 63.5 | 169.2 | 0 | 0 | 0 | 112 | C16 G19 E25 L26 M29 R134 V135 | C16-I21 HydrophobicContact CB-CD1 3.76Å; C16-I21 HydrophobicContact CB-CG1 4.34Å; G19-I21 PolarHBondContact O-N 2.96Å; I21-E25 WeakPolarHBondContact CA-OE2 3.34Å; I21-E25 HydrophobicContact CB-CB 4.33Å; I21-E25 VanDerWaalsContact CB-OE2 3.29Å; I21-E25 WeakPolarHBondContact CB-OE2 3.31Å; I21-L26 HydrophobicContact CD1-CB 4.37Å; I21-L26 HydrophobicContact CD1-CD1 4.39Å; I21-M29 HydrophobicContact CD1-CE 3.48Å; I21-M29 VanDerWaalsContact CD1-CE 3.48Å; I21-R134 WeakPolarHBondContact O-CA 3.22Å; I21-V135 HydrophobicContact CD1-CG2 4.03Å; I21-V135 HydrophobicContact CG1-CB 3.98Å; I21-V135 HydrophobicContact CG1-CG2 3.7Å; I21-V135 PolarHBondContact O-N 3.38Å |
| 22 | L | 96.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 38 Ų | 38 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -81.3 | 156.6 | 175.4 | -57.3 | -177.9 | 0 | 0 | 0 | 112.3 | R24 E25 L26 D133 R134 | L22-R24 HydrophobicContact CB-CB 4.45Å; L22-R24 PolarHBondContact O-N 3.39Å; L22-E25 HydrophobicContact CB-CG 4.28Å; L22-E25 PolarHBondContact N-OE2 2.98Å; L22-E25 PolarHBondContact O-N 3.08Å; L22-L26 PolarHBondContact O-N 3.16Å; L22-D133 CarbonylContact C-O 3.58Å; L22-D133 VanDerWaalsContact CA-O 3.31Å; L22-D133 WeakPolarHBondContact CA-O 3.11Å; L22-R134 HydrophobicContact CD2-CG 4.27Å |
| 23 | I | 96.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -32.5 | 171 | -67.7 | -58.3 | 0 | 0 | 0 | 111.9 | L26 A27 L120 L129 D130 W131 D133 V135 V138 L139 | I23-L26 HydrophobicContact CD1-CD2 4.17Å; I23-L26 WeakPolarHBondContact O-CB 3.1Å; I23-L26 PolarHBondContact O-N 3.28Å; I23-A27 PolarHBondContact O-N 3.23Å; I23-L120 HydrophobicContact CG2-CD1 3.76Å; I23-L129 HydrophobicContact CD1-CB 4.31Å; I23-L129 HydrophobicContact CD1-CD1 3.71Å; I23-L129 HydrophobicContact CG1-CB 4.16Å; I23-L129 HydrophobicContact CG1-CD1 4.47Å; I23-L129 HydrophobicContact CG2-CB 3.95Å; I23-D130 WeakPolarHBondContact CB-O 3.25Å; I23-W131 HydrophobicContact CG2-CE3 4.18Å; I23-W131 HydrophobicContact CG2-CZ3 4.44Å; I23-D133 HydrophobicContact CG1-CB 3.94Å; I23-D133 PolarHBondContact N-O 3.27Å; I23-V135 HydrophobicContact CD1-CG2 3.88Å; I23-V138 HydrophobicContact CD1-CG2 3.99Å; I23-V138 HydrophobicContact CG1-CG2 4.25Å; I23-L139 HydrophobicContact CD1-CD1 4.04Å |
| 24 | R | 95.7 | Very high | 94.3 | Very high | 47 Ų | 47 | 40 Ų | 40 | 18% | 0.177 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -52.5 | 169.4 | -174 | 175.5 | -61.1 | -74.1 | -1.7 | 113 | L22 L26 A27 E28 L109 W131 D132 | L22-R24 HydrophobicContact CB-CB 4.45Å; L22-R24 PolarHBondContact O-N 3.39Å; R24-L26 VanDerWaalsContact C-N 3.3Å; R24-L26 PolarHBondContact O-N 3.45Å; R24-A27 PolarHBondContact O-N 3.44Å; R24-A27 VanDerWaalsContact O-N 3.16Å; R24-E28 WeakPolarHBondContact O-CG 3.4Å; R24-E28 PolarHBondContact O-N 2.96Å; R24-L109 HydrophobicContact CG-CD2 3.9Å; R24-W131 HydrophobicContact CB-CE3 4.08Å; R24-W131 WeakPolarHBondContact CB-O 3.45Å; R24-W131 PolarHBondContact N-O 2.93Å; R24-D132 IonicContact NE-OD1 3.5Å; R24-D132 IonicContact NH2-OD1 3.83Å |
| 25 | E | 95.5 | Very high | 94.1 | Very high | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -34.9 | -179.6 | -60.2 | 174.6 | 136.7 | 0 | 0 | 111.5 | I21 L22 E28 M29 | I21-E25 WeakPolarHBondContact CA-OE2 3.34Å; I21-E25 HydrophobicContact CB-CB 4.33Å; I21-E25 VanDerWaalsContact CB-OE2 3.29Å; I21-E25 WeakPolarHBondContact CB-OE2 3.31Å; L22-E25 HydrophobicContact CB-CG 4.28Å; L22-E25 PolarHBondContact N-OE2 2.98Å; L22-E25 PolarHBondContact O-N 3.08Å; E25-E28 PolarHBondContact O-N 3.26Å; E25-M29 WeakPolarHBondContact O-CB 3.4Å; E25-M29 WeakPolarHBondContact O-CG 3.35Å; E25-M29 PolarHBondContact O-N 3.17Å |
| 26 | L | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 170.9 | -179.4 | 76.2 | 0 | 0 | 0 | 111.2 | V3 V14 C16 I21 L22 I23 R24 M29 A30 L120 V135 L139 L145 | V3-L26 HydrophobicContact CB-CD1 4.18Å; V3-L26 HydrophobicContact CG1-CD2 4.42Å; V3-L26 HydrophobicContact CG2-CD1 4.48Å; V14-L26 HydrophobicContact CB-CD1 4.04Å; V14-L26 HydrophobicContact CG1-CD1 3.91Å; C16-L26 WeakPolarHBondContact SG-CD1 3.19Å; I21-L26 HydrophobicContact CD1-CB 4.37Å; I21-L26 HydrophobicContact CD1-CD1 4.39Å; L22-L26 PolarHBondContact O-N 3.16Å; I23-L26 HydrophobicContact CD1-CD2 4.17Å; I23-L26 WeakPolarHBondContact O-CB 3.1Å; I23-L26 PolarHBondContact O-N 3.28Å; R24-L26 VanDerWaalsContact C-N 3.3Å; R24-L26 PolarHBondContact O-N 3.45Å; L26-M29 PolarHBondContact O-N 3.07Å; L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.47Å; L26-A30 PolarHBondContact O-N 3.05Å; L26-L120 HydrophobicContact CD2-CD1 4.16Å; L26-V135 HydrophobicContact CB-CG2 3.97Å; L26-V135 HydrophobicContact CD1-CG2 4.27Å; L26-V135 HydrophobicContact CD2-CG2 4.03Å; L26-V135 HydrophobicContact CG-CG2 4.32Å; L26-L139 HydrophobicContact CD2-CD1 4.12Å; L26-L145 HydrophobicContact CD2-CD1 3.6Å |
| 27 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 R24 A30 L31 L120 W131 | I23-A27 PolarHBondContact O-N 3.23Å; R24-A27 PolarHBondContact O-N 3.44Å; R24-A27 VanDerWaalsContact O-N 3.16Å; A27-A30 PolarHBondContact O-N 3.35Å; A27-L31 VanDerWaalsContact O-CB 3.26Å; A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 PolarHBondContact O-N 3.4Å; A27-L120 HydrophobicContact CB-CD1 3.88Å; A27-W131 HydrophobicContact CB-CH2 3.94Å; A27-W131 HydrophobicContact CB-CZ3 3.56Å |
| 28 | E | 94.7 | Very high | 93 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 174.8 | -71 | -179.7 | -140.7 | 0 | 0 | 111.6 | R24 E25 A30 L31 L32 L109 I111 | R24-E28 WeakPolarHBondContact O-CG 3.4Å; R24-E28 PolarHBondContact O-N 2.96Å; E25-E28 PolarHBondContact O-N 3.26Å; E28-A30 PolarHBondContact O-N 2.91Å; E28-L31 PolarHBondContact O-N 2.72Å; E28-L32 WeakPolarHBondContact O-CB 3.07Å; E28-L32 WeakPolarHBondContact O-CG 3.12Å; E28-L32 PolarHBondContact O-N 3.27Å; E28-L109 HydrophobicContact CG-CD1 3.81Å; E28-L109 HydrophobicContact CG-CD2 4.04Å; E28-L109 HydrophobicContact CG-CG 4.39Å; E28-L109 VanDerWaalsContact OE1-CD2 3.26Å; E28-L109 WeakPolarHBondContact OE1-CD2 3.34Å; E28-I111 HydrophobicContact CB-CD1 3.89Å; E28-I111 HydrophobicContact CG-CD1 3.85Å |
| 29 | M | 94.6 | Very high | 91.9 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.8 | -34.7 | 176.5 | -73.6 | -169.4 | -78.6 | 0 | 0 | 113.1 | V14 I21 E25 L26 R33 | V14-M29 HydrophobicContact CG1-CB 3.75Å; V14-M29 HydrophobicContact CG1-CE 4.35Å; V14-M29 HydrophobicContact CG1-SD 4.45Å; I21-M29 HydrophobicContact CD1-CE 3.48Å; I21-M29 VanDerWaalsContact CD1-CE 3.48Å; E25-M29 WeakPolarHBondContact O-CB 3.4Å; E25-M29 WeakPolarHBondContact O-CG 3.35Å; E25-M29 PolarHBondContact O-N 3.17Å; L26-M29 PolarHBondContact O-N 3.07Å; M29-R33 WeakPolarHBondContact O-CB 3.14Å; M29-R33 VanDerWaalsContact O-CG 3.27Å; M29-R33 WeakPolarHBondContact O-CG 3.43Å; M29-R33 PolarHBondContact O-N 2.72Å |
| 30 | A | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V5 F7 V14 L26 A27 E28 R33 F34 | V5-A30 HydrophobicContact CB-CB 3.99Å; V5-A30 HydrophobicContact CG1-CB 3.89Å; V5-A30 HydrophobicContact CG2-CB 4.01Å; F7-A30 HydrophobicContact CE2-CB 3.79Å; F7-A30 HydrophobicContact CZ-CB 3.76Å; V14-A30 HydrophobicContact CG2-CB 3.8Å; L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.47Å; L26-A30 PolarHBondContact O-N 3.05Å; A27-A30 PolarHBondContact O-N 3.35Å; E28-A30 PolarHBondContact O-N 2.91Å; A30-R33 PolarHBondContact O-N 2.81Å; A30-F34 WeakPolarHBondContact O-CB 3.46Å; A30-F34 PolarHBondContact O-N 3.35Å |
| 31 | L | 94.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | -178.8 | -163.6 | 67.9 | 0 | 0 | 0 | 111.9 | F7 A27 E28 R33 F34 Q35 S113 V117 | F7-L31 HydrophobicContact CD1-CD1 4.5Å; F7-L31 HydrophobicContact CE1-CD1 3.63Å; F7-L31 HydrophobicContact CZ-CB 4.44Å; F7-L31 HydrophobicContact CZ-CD1 4.21Å; A27-L31 VanDerWaalsContact O-CB 3.26Å; A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 PolarHBondContact O-N 3.4Å; E28-L31 PolarHBondContact O-N 2.72Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.78Å; L31-F34 PolarHBondContact O-N 2.84Å; L31-Q35 WeakPolarHBondContact O-CG 3.4Å; L31-Q35 PolarHBondContact O-N 3.19Å; L31-S113 WeakPolarHBondContact CD2-OG 3.23Å; L31-V117 HydrophobicContact CD1-CG2 3.88Å; L31-V117 HydrophobicContact CD2-CG2 4.33Å |
| 32 | L | 91.5 | Very high | 84.3 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 175.2 | -73.9 | 168.2 | 0 | 0 | 0 | 112.6 | E28 K36 I111 | E28-L32 WeakPolarHBondContact O-CB 3.07Å; E28-L32 WeakPolarHBondContact O-CG 3.12Å; E28-L32 PolarHBondContact O-N 3.27Å; L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.08Å; L32-I111 HydrophobicContact CD1-CD1 4.42Å; L32-I111 HydrophobicContact CD2-CG2 4.03Å; L32-I111 HydrophobicContact CG-CD1 4.35Å |
| 33 | R | 94.2 | Very high | 81.2 | Confident | 113 Ų | 113 | 62 Ų | 62 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.6 | -39 | 175.3 | -73.7 | 172.8 | 171 | -102 | -17.4 | 111.9 | V12 V13 M29 A30 L31 K36 S37 | V12-R33 HydrophobicContact CG1-CB 3.25Å; V12-R33 HydrophobicContact CG1-CG 4.38Å; V13-R33 WeakPolarHBondContact O-CD 3.29Å; V13-R33 PolarHBondContact O-NH1 2.98Å; M29-R33 WeakPolarHBondContact O-CB 3.14Å; M29-R33 VanDerWaalsContact O-CG 3.27Å; M29-R33 WeakPolarHBondContact O-CG 3.43Å; M29-R33 PolarHBondContact O-N 2.72Å; A30-R33 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.78Å; R33-K36 PolarHBondContact O-N 2.92Å; R33-S37 PolarHBondContact O-N 3.24Å |
| 34 | F | 95.3 | Very high | 78 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -54.1 | 172 | 172.1 | -111.3 | 0 | 0 | 0 | 110.8 | F7 V10 V12 A30 L31 K36 S37 T38 Y115 F149 | F7-F34 HydrophobicContact CB-CD1 4.45Å; F7-F34 HydrophobicContact CB-CD2 3.37Å; F7-F34 HydrophobicContact CB-CE1 4.43Å; F7-F34 HydrophobicContact CB-CE2 3.34Å; F7-F34 HydrophobicContact CB-CG 3.95Å; F7-F34 HydrophobicContact CB-CZ 3.9Å; F7-F34 HydrophobicContact CD1-CB 4.29Å; F7-F34 AromaticContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD2 4.24Å; F7-F34 HydrophobicContact CD1-CE1 4.32Å; F7-F34 AromaticContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD2-CB 3.72Å; F7-F34 AromaticContact CD2-CD2 3.86Å; F7-F34 HydrophobicContact CD2-CD2 3.86Å; F7-F34 AromaticContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CE1-CB 4.3Å; F7-F34 HydrophobicContact CE1-CD1 4.36Å; F7-F34 HydrophobicContact CE1-CG 4.34Å; F7-F34 HydrophobicContact CE2-CB 3.73Å; F7-F34 HydrophobicContact CE2-CG 4.3Å; F7-F34 HydrophobicContact CG-CB 4.01Å; F7-F34 HydrophobicContact CG-CD1 4.15Å; F7-F34 AromaticContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CE2 4.01Å; F7-F34 AromaticContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CZ 4.45Å; F7-F34 HydrophobicContact CZ-CB 4.04Å; V10-F34 HydrophobicContact CB-CD2 4.01Å; V10-F34 HydrophobicContact CB-CE2 3.86Å; V10-F34 HydrophobicContact CG1-CD2 3.88Å; V10-F34 HydrophobicContact CG1-CE2 4.16Å; V10-F34 HydrophobicContact CG2-CE2 4.03Å; V12-F34 HydrophobicContact CG2-CB 4.13Å; V12-F34 HydrophobicContact CG2-CD2 4.45Å; A30-F34 WeakPolarHBondContact O-CB 3.46Å; A30-F34 PolarHBondContact O-N 3.35Å; L31-F34 PolarHBondContact O-N 2.84Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.82Å; F34-S37 WeakPolarHBondContact O-CA 3.39Å; F34-S37 PolarHBondContact O-N 2.94Å; F34-S37 PolarHBondContact O-OG 2.74Å; F34-T38 HydrophobicContact CD2-CG2 3.84Å; F34-T38 HydrophobicContact CE1-CG2 4.33Å; F34-T38 HydrophobicContact CE2-CG2 3.39Å; F34-T38 HydrophobicContact CG-CG2 4.49Å; F34-T38 HydrophobicContact CZ-CG2 3.69Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.37Å; F34-T38 VanDerWaalsContact O-OG1 3.11Å; F34-Y115 HydrophobicContact CE1-CD1 4.45Å; F34-Y115 HydrophobicContact CE1-CD2 4.25Å; F34-Y115 HydrophobicContact CE1-CE1 4.25Å; F34-Y115 HydrophobicContact CE1-CE2 4.06Å; F34-Y115 HydrophobicContact CE1-CG 4.44Å; F34-F149 AromaticContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CZ 4.31Å; F34-F149 AromaticContact CZ-CE2 3.81Å; F34-F149 HydrophobicContact CZ-CE2 3.81Å; F34-F149 AromaticContact CZ-CZ 3.96Å; F34-F149 HydrophobicContact CZ-CZ 3.96Å |
| 35 | Q | 90.7 | Very high | 74.6 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.2 | -40.6 | 176.6 | -73.9 | -169.6 | -70.8 | 0 | 0 | 112.5 | L31 S37 T38 S39 Y115 | L31-Q35 WeakPolarHBondContact O-CG 3.4Å; L31-Q35 PolarHBondContact O-N 3.19Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.94Å; Q35-T38 PolarHBondContact O-N 3.31Å; Q35-S39 WeakPolarHBondContact O-CB 3.39Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 3.01Å; Q35-Y115 HydrophobicContact CG-CD2 4.31Å |
| 36 | K | 87.5 | Confident | 71.4 | Confident | 161 Ų | 161 | 73.9 Ų | 73.9 | 70% | 0.7 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65 | -32.6 | 175.1 | -77.5 | 177.1 | 178.8 | -177.6 | 0 | 113.1 | L32 R33 F34 | L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.08Å; R33-K36 PolarHBondContact O-N 2.92Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.82Å |
| 37 | S | 83.7 | Confident | 68.1 | Low | 47 Ų | 47 | 78.7 Ų | 78.7 | 33% | 0.329 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.9 | -46.3 | 174.2 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | R33 F34 Q35 S40 | R33-S37 PolarHBondContact O-N 3.24Å; F34-S37 WeakPolarHBondContact O-CA 3.39Å; F34-S37 PolarHBondContact O-N 2.94Å; F34-S37 PolarHBondContact O-OG 2.74Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.94Å; S37-S40 PolarHBondContact O-N 3.26Å; S37-S40 PolarHBondContact O-OG 2.72Å |
| 38 | T | 81.8 | Confident | 65 | Low | 32 Ų | 32 | 85.4 Ų | 85.4 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -77.3 | -30.5 | -175.2 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | V10 F34 Q35 S40 L41 | V10-T38 HydrophobicContact CG2-CG2 4.33Å; F34-T38 HydrophobicContact CD2-CG2 3.84Å; F34-T38 HydrophobicContact CE1-CG2 4.33Å; F34-T38 HydrophobicContact CE2-CG2 3.39Å; F34-T38 HydrophobicContact CG-CG2 4.49Å; F34-T38 HydrophobicContact CZ-CG2 3.69Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.37Å; F34-T38 VanDerWaalsContact O-OG1 3.11Å; Q35-T38 PolarHBondContact O-N 3.31Å; T38-S40 PolarHBondContact O-N 2.95Å; T38-L41 VanDerWaalsContact O-CB 3.3Å; T38-L41 WeakPolarHBondContact O-CB 3.47Å; T38-L41 PolarHBondContact O-N 2.95Å |
| 39 | S | 68.3 | Low | 61.7 | Low | 70 Ų | 70 | 89.6 Ų | 89.6 | 49% | 0.49 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -25.2 | 173.5 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | Q35 L41 | Q35-S39 WeakPolarHBondContact O-CB 3.39Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 3.01Å; S39-L41 VanDerWaalsContact C-N 3.3Å |
| 40 | S | 48.1 | Very low | 58.5 | Low | 79 Ų | 79 | 95.2 Ų | 95.2 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.7 | -27.4 | 169.4 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | S37 T38 L42 H43 | S37-S40 PolarHBondContact O-N 3.26Å; S37-S40 PolarHBondContact O-OG 2.72Å; T38-S40 PolarHBondContact O-N 2.95Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.45Å; S40-H43 PolarHBondContact O-N 3.15Å |
| 41 | L | 40.2 | Very low | 55.3 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.1 | -19.7 | -175.2 | -153.5 | 72.2 | 0 | 0 | 0 | 112.8 | T38 S39 H43 T44 | T38-L41 VanDerWaalsContact O-CB 3.3Å; T38-L41 WeakPolarHBondContact O-CB 3.47Å; T38-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact C-N 3.3Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 2.91Å; L41-T44 PolarHBondContact O-N 3.45Å; L41-T44 PolarHBondContact O-OG1 2.78Å |
| 42 | L | 32.6 | Very low | 52.2 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -70.9 | -20.9 | 177.6 | -78.9 | 167.9 | 0 | 0 | 0 | 113.6 | S40 T44 K45 | S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.45Å; L42-T44 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 2.9Å |
| 43 | H | 32 | Very low | 49.2 | Very low | 168 Ų | 168 | 112.8 Ų | 112.8 | 78% | 0.778 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -71.1 | -11.3 | 172 | -100.6 | 92.6 | 0 | 0 | 0 | 113.9 | S40 L41 | S40-H43 PolarHBondContact O-N 3.15Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 2.91Å |
| 44 | T | 28.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -113 | 2.5 | 177.9 | 38.2 | 0 | 0 | 0 | 0 | 114.1 | L41 L42 | L41-T44 PolarHBondContact O-N 3.45Å; L41-T44 PolarHBondContact O-OG1 2.78Å; L42-T44 PolarHBondContact O-N 2.86Å |
| 45 | K | 25.8 | Very low | 42.6 | Very low | 175 Ų | 175 | 118.2 Ų | 118.2 | 76% | 0.761 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -116.5 | 17.4 | 174.5 | -136.4 | 171.4 | -174.6 | 177.2 | 0 | 114 | L42 | L42-K45 PolarHBondContact O-N 2.9Š|
| 46 | C | 27.8 | Very low | 39.7 | Very low | 110 Ų | 110 | 123 Ų | 123 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107.3 | 28.3 | 166.6 | -158.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 47 | C | 27.5 | Very low | 37 | Very low | 101 Ų | 101 | 119 Ų | 119 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -133.5 | 14 | -175.3 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 48 | I | 29.2 | Very low | 34.5 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -133.7 | 52 | 175.2 | -44.4 | -180 | 0 | 0 | 0 | 108.9 | | |
| 49 | D | 26.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -149.4 | 57.6 | 169.9 | -96.5 | -41.8 | 0 | 0 | 0 | 108.6 | | |
| 50 | Q | 27.6 | Very low | 30 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -166.7 | 87.6 | 177.4 | -118 | 152.4 | 93.6 | 0 | 0 | 111.3 | | |
| 51 | N | 27.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | -166 | 56.2 | 154.5 | -111.1 | -18.3 | 0 | 0 | 0 | 114.8 | | |
| 52 | I | 29.7 | Very low | 28.6 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -126.6 | 87.1 | 140 | -59.6 | -174 | 0 | 0 | 0 | 108.3 | | |
| 53 | T | 29.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 10.5 | 107.4 | 149.8 | -45.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 54 | S | 28.7 | Very low | 28.4 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | | -153.4 | 126.8 | 125.9 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 55 | C | 21.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -151.7 | 98.3 | -174.4 | -82.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 56 | T | 31.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -148.3 | 111.2 | 173 | 44.5 | 0 | 0 | 0 | 0 | 112 | | |
| 57 | G | 29.4 | Very low | 28.6 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 77 | 144.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 58 | S | 32.1 | Very low | 28.5 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | cis | -152.5 | 159.6 | -6.6 | -77.7 | 0 | 0 | 0 | 0 | 110 | | |
| 59 | Q | 26.8 | Very low | 28.3 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -94 | 165.5 | -172.7 | -72.6 | -164.3 | 6.6 | 0 | 0 | 115.7 | | |
| 60 | T | 27.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | | | trans | 82.5 | 141.9 | 161.9 | 83.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 61 | K | 29.9 | Very low | 28.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | cis | -131.3 | 159.1 | 11.3 | -65.5 | 170.2 | -176.2 | 173.7 | 0 | 112.1 | | |
| 62 | S | 29.9 | Very low | 28 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -97 | 168.8 | 168.6 | -160.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 63 | P | 32.2 | Very low | 27.8 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | | -146.2 | -176.3 | 85.2 | 38.4 | -19.3 | 0 | 0 | 0 | 116.2 | | |
| 64 | E | 27.5 | Very low | 27.7 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -68.5 | 157.9 | -168.3 | -51.8 | 159 | 89.2 | 0 | 0 | 117.6 | | |
| 65 | K | 26.6 | Very low | 27.5 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | | -173.8 | 144 | 119.1 | -103.5 | 162.2 | -175.3 | 174.2 | 0 | 113.8 | | |
| 66 | R | 30.5 | Very low | 27.7 | Very low | 236 Ų | 236 | 157.8 Ų | 157.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | 66.7 | 136.2 | 178.3 | -58.5 | 176.1 | 174.1 | 171.4 | -1.4 | 114.5 | | |
| 67 | K | 29.8 | Very low | 27.6 | Very low | 200 Ų | 200 | 159.1 Ų | 159.1 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | cis | -151.4 | 148.9 | -7.2 | -119.1 | -173.6 | -179.2 | -170.3 | 0 | 108.2 | | |
| 68 | Q | 24.7 | Very low | 27.5 | Very low | 182 Ų | 182 | 163.9 Ų | 163.9 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -137.1 | 168.6 | 171.5 | -160.5 | -174.1 | 39.9 | 0 | 0 | 109.2 | | |
| 69 | V | 26 | Very low | 27.4 | Very low | 111 Ų | 111 | 165.9 Ų | 165.9 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | | | trans | 93.3 | 124.9 | 162.7 | -173.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 70 | N | 26 | Very low | 27.4 | Very low | 136 Ų | 136 | 164.5 Ų | 164.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | 61.7 | 126.3 | 159.5 | -68.2 | -3.6 | 0 | 0 | 0 | 122.9 | | |
| 71 | Y | 23.4 | Very low | 27.3 | Very low | 231 Ų | 231 | 164.4 Ų | 164.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | | -122.8 | 116.3 | 125.1 | -113.1 | -81.1 | 0 | 0 | 0 | 109.1 | | |
| 72 | N | 24.2 | Very low | 27.3 | Very low | 143 Ų | 143 | 161.3 Ų | 161.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | -161.5 | 148.6 | 163.2 | -132.2 | -6.8 | 0 | 0 | 0 | 106.5 | | |
| 73 | L | 25.3 | Very low | 27.3 | Very low | 128 Ų | 128 | 163.9 Ų | 163.9 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | 63.4 | 157 | -154.5 | -88.5 | 55.5 | 0 | 0 | 0 | 112.6 | | |
| 74 | E | 28.3 | Very low | 27.1 | Very low | 140 Ų | 140 | 165.4 Ų | 165.4 | 65% | 0.654 | 79% | 0.788 | S | S | * | * | | | cis | -120.2 | 139.7 | 8.1 | -121 | 107.3 | -153.7 | 0 | 0 | 113.4 | Q76 | E74-Q76 HydrophobicContact CG-CB 4.17Š|
| 75 | Q | 24 | Very low | 27.2 | Very low | 197 Ų | 197 | 162 Ų | 162 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -99.9 | 81.7 | 138.1 | -87 | -164.4 | 51.5 | 0 | 0 | 107.5 | | |
| 76 | Q | 25.9 | Very low | 27.2 | Very low | 155 Ų | 155 | 162 Ų | 162 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -172.1 | 108.9 | 160.5 | -112.6 | 172.3 | 40.8 | 0 | 0 | 110.8 | E74 | E74-Q76 HydrophobicContact CG-CB 4.17Š|
| 77 | Q | 30 | Very low | 27 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | | 172.3 | 105.6 | 123.1 | -93 | 164 | 51 | 0 | 0 | 109.7 | | |
| 78 | Q | 26.5 | Very low | 27 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -82.4 | 141.7 | 151.4 | -71.1 | -175.8 | -12.7 | 0 | 0 | 107.7 | | |
| 79 | Q | 30.2 | Very low | 27.1 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 68.6 | 138.2 | 167.9 | -55.5 | 176.4 | 35.8 | 0 | 0 | 117.2 | | |
| 80 | H | 27.5 | Very low | 27.1 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | cis | -167.7 | 137.4 | -23.2 | -162.5 | -142.9 | 0 | 0 | 0 | 109.8 | Q82 | H80-Q82 VanDerWaalsContact CE1-CG 3.45Å; H80-Q82 WeakPolarHBondContact CE1-CG 3.45Å; H80-Q82 PolarHBondContact CE1-NE2 2.73Å |
| 81 | S | 25.6 | Very low | 27.2 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -148.1 | 131.1 | 153.1 | 55.4 | 0 | 0 | 0 | 0 | 110 | | |
| 82 | Q | 28.6 | Very low | 27.5 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -92.8 | -167 | 178.6 | -67 | 176.2 | -33.2 | 0 | 0 | 110.5 | H80 | H80-Q82 VanDerWaalsContact CE1-CG 3.45Å; H80-Q82 WeakPolarHBondContact CE1-CG 3.45Å; H80-Q82 PolarHBondContact CE1-NE2 2.73Å |
| 83 | I | 30.5 | Very low | 27.8 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | 81.6 | 101.7 | -175.1 | -56 | 168.7 | 0 | 0 | 0 | 109.3 | | |
| 84 | I | 29 | Very low | 27.8 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | S | Bend | cis | -147.6 | 144.9 | 13.7 | -67.8 | -174.2 | 0 | 0 | 0 | 107.8 | | |
| 85 | S | 29.6 | Very low | 27.8 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | cis | -159.1 | 168.1 | -14 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 86 | K | 24.7 | Very low | 28.1 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -79.9 | 167.6 | 165.5 | -65.9 | -177.2 | 176.9 | -176.1 | 0 | 111.7 | | |
| 87 | G | 26.9 | Very low | 28.3 | Very low | 65 Ų | 65 | 146.8 Ų | 146.8 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | 116.2 | 131.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 88 | L | 29.9 | Very low | 28.2 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | cis | -116.4 | 165.9 | 12.2 | -124.9 | 72.8 | 0 | 0 | 0 | 113.6 | | |
| 89 | D | 26.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | -90.6 | 176.7 | -179 | -67.9 | -75.6 | 0 | 0 | 0 | 114.7 | | |
| 90 | Q | 26.5 | Very low | 28.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -42.3 | 138.6 | 173.2 | -55.4 | 154.9 | 7.2 | 0 | 0 | 115.9 | | |
| 91 | S | 29.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -166.1 | 142.3 | 133.1 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 92 | N | 28.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | trans | -83.2 | 160.2 | 179.5 | -52.7 | -30.6 | 0 | 0 | 0 | 112 | | |
| 93 | D | 30.3 | Very low | 28.3 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | | 167.3 | 174.3 | 107.1 | -86.3 | -25.2 | 0 | 0 | 0 | 112.1 | | |
| 94 | D | 26.1 | Very low | 28.2 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -102 | 171.7 | -144.5 | -119.5 | -45.4 | 0 | 0 | 0 | 117.9 | | |
| 95 | S | 29.2 | Very low | 28.2 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | trans | 94.2 | 105.9 | 149.8 | 76.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 96 | H | 30.2 | Very low | 28.4 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | | 78.1 | 121.7 | 124.8 | -80.7 | -56.2 | 0 | 0 | 0 | 126.2 | | |
| 97 | L | 28.8 | Very low | 29 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | | | trans | 71.7 | 149.4 | 140.6 | -59 | 169.7 | 0 | 0 | 0 | 117.5 | | |
| 98 | K | 27.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | cis | -157.8 | 163.1 | -1.4 | -107.8 | 162.2 | 177.8 | -178 | 0 | 106.2 | | |
| 99 | S | 29.8 | Very low | 30 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 58% | 0.58 | 71% | 0.705 | S | S | * | * | | | cis | -169.5 | 175 | -18.7 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 100 | D | 28.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | 78.8 | 144.3 | 151.1 | -52.2 | -45.2 | 0 | 0 | 0 | 124.4 | | |
| 101 | N | 27.2 | Very low | 31.8 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | | | trans | 66.3 | 117.6 | 162.6 | -71.8 | -46.4 | 0 | 0 | 0 | 118.5 | | |
| 102 | R | 29.8 | Very low | 33.2 | Very low | 236 Ų | 236 | 134.4 Ų | 134.4 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | | | cis | -144.4 | 161 | 22.9 | -70.4 | -176.1 | 168.6 | 171.8 | -5.8 | 114.7 | | |
| 103 | K | 26.1 | Very low | 35 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | | | trans | -19.6 | 158.8 | 165.8 | -55.3 | 176.3 | -179.5 | 179.5 | 0 | 119.2 | | |
| 104 | N | 28.8 | Very low | 37.5 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | | | trans | 70.1 | 105.9 | -179.5 | -80 | 4.2 | 0 | 0 | 0 | 116.9 | | |
| 105 | V | 28.7 | Very low | 40.5 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.606 | 60% | 0.596 | S | S | * | * | | | trans | -126.2 | 86.5 | 159.8 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | W107 | V105-W107 HydrophobicContact CG1-CD2 3.49Å; V105-W107 VanDerWaalsContact CG1-CD2 3.49Å; V105-W107 HydrophobicContact CG1-CE3 3.66Å; V105-W107 HydrophobicContact CG1-CG 4.08Å; V105-W107 HydrophobicContact CG1-CH2 3.97Å; V105-W107 HydrophobicContact CG1-CZ2 3.8Å; V105-W107 HydrophobicContact CG1-CZ3 3.9Å |
| 106 | S | 33 | Very low | 43.3 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | | | trans | -77.4 | 132.3 | 144.1 | 82.3 | 0 | 0 | 0 | 0 | 105.6 | K108 E116 | S106-K108 PolarHBondContact O-N 2.88Å; S106-E116 PolarHBondContact OG-OE1 3.09Å |
| 107 | W | 37.2 | Very low | 46.3 | Very low | 173 Ų | 173 | 108.3 Ų | 108.3 | 66% | 0.655 | 54% | 0.535 | S | S | * | . | | | trans | -79 | 67.2 | -174.9 | -63.2 | 99.6 | 0 | 0 | 0 | 110.3 | V105 L109 | V105-W107 HydrophobicContact CG1-CD2 3.49Å; V105-W107 VanDerWaalsContact CG1-CD2 3.49Å; V105-W107 HydrophobicContact CG1-CE3 3.66Å; V105-W107 HydrophobicContact CG1-CG 4.08Å; V105-W107 HydrophobicContact CG1-CH2 3.97Å; V105-W107 HydrophobicContact CG1-CZ2 3.8Å; V105-W107 HydrophobicContact CG1-CZ3 3.9Å; W107-L109 PolarHBondContact O-N 3.16Å |
| 108 | K | 36.1 | Very low | 49.3 | Very low | 136 Ų | 136 | 104.8 Ų | 104.8 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | | | trans | -56.7 | 99 | -179.7 | -79.9 | -176.4 | 176.9 | -175.1 | 0 | 110.8 | S106 N110 E116 | S106-K108 PolarHBondContact O-N 2.88Å; K108-N110 PolarHBondContact O-N 3.33Å; K108-E116 WeakPolarHBondContact CE-OE2 3.35Å; K108-E116 HydrophobicContact CG-CG 4.49Å; K108-E116 VanDerWaalsContact CG-OE1 3.25Å; K108-E116 WeakPolarHBondContact CG-OE1 3.47Å |
| 109 | L | 42.1 | Very low | 52.4 | Low | 25 Ų | 25 | 97.4 Ų | 97.4 | 13% | 0.131 | 49% | 0.488 | C | S | . | . | | | trans | -58.8 | 109.1 | 167.7 | -69.9 | 173.8 | 0 | 0 | 0 | 108 | R24 E28 W107 I111 | R24-L109 HydrophobicContact CG-CD2 3.9Å; E28-L109 HydrophobicContact CG-CD1 3.81Å; E28-L109 HydrophobicContact CG-CD2 4.04Å; E28-L109 HydrophobicContact CG-CG 4.39Å; E28-L109 VanDerWaalsContact OE1-CD2 3.26Å; E28-L109 WeakPolarHBondContact OE1-CD2 3.34Å; W107-L109 PolarHBondContact O-N 3.16Å; L109-I111 PolarHBondContact O-N 2.84Å |
| 110 | N | 41.8 | Very low | 55.5 | Low | 156 Ų | 156 | 93.5 Ų | 93.5 | 83% | 0.834 | 46% | 0.46 | S | S | * | . | | | trans | -83.7 | 48.5 | -171.3 | -162.5 | 70.9 | 0 | 0 | 0 | 111.8 | K108 | K108-N110 PolarHBondContact O-N 3.33Š|
| 111 | I | 48.9 | Very low | 58.6 | Low | 34 Ų | 34 | 88.4 Ų | 88.4 | 17% | 0.174 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -83.3 | 141.8 | 159.7 | -58.8 | 175.8 | 0 | 0 | 0 | 106.5 | E28 L32 L109 S113 K152 | E28-I111 HydrophobicContact CB-CD1 3.89Å; E28-I111 HydrophobicContact CG-CD1 3.85Å; L32-I111 HydrophobicContact CD1-CD1 4.42Å; L32-I111 HydrophobicContact CD2-CG2 4.03Å; L32-I111 HydrophobicContact CG-CD1 4.35Å; L109-I111 PolarHBondContact O-N 2.84Å; I111-S113 PolarHBondContact O-N 3Å; I111-K152 PolarHBondContact O-NZ 3.42Å; I111-K152 VanDerWaalsContact O-NZ 3.08Å |
| 112 | D | 58.8 | Low | 61.8 | Low | 167 Ų | 167 | 82.2 Ų | 82.2 | 89% | 0.893 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -69 | 62.4 | 166.9 | -76.7 | -36.5 | 0 | 0 | 0 | 110.6 | | |
| 113 | S | 65.4 | Low | 64.6 | Low | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | | | trans | -111.9 | 129.2 | 178.6 | 161.2 | 0 | 0 | 0 | 0 | 108.2 | L31 I111 Y115 K152 | L31-S113 WeakPolarHBondContact CD2-OG 3.23Å; I111-S113 PolarHBondContact O-N 3Å; S113-Y115 PolarHBondContact O-N 3.2Å; S113-Y115 PolarHBondContact OG-N 2.86Å; S113-Y115 PolarHBondContact OG-O 2.84Å; S113-K152 VanDerWaalsContact O-CD 3.26Å; S113-K152 WeakPolarHBondContact O-CD 3.27Å; S113-K152 VanDerWaalsContact O-CE 3.29Å; S113-K152 WeakPolarHBondContact O-CE 3.37Å; S113-K152 PolarHBondContact O-NZ 3.49Å |
| 114 | D | 83.2 | Confident | 67.4 | Low | 84 Ų | 84 | 71.3 Ų | 71.3 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -57.3 | -6.8 | 168.2 | -100.2 | 24.4 | 0 | 0 | 0 | 113.5 | K151 K152 | D114-K151 VanDerWaalsContact CG-CE 3.49Å; D114-K151 CarbonylContact O-C 3.57Å; D114-K151 WeakPolarHBondContact O-CA 3.42Å; D114-K151 WeakPolarHBondContact O-CG 3.47Å; D114-K151 WeakPolarHBondContact OD2-CE 3.45Å; D114-K151 IonicContact OD2-NZ 2.73Å; D114-K151 PolarHBondContact OD2-NZ 3.24Å; D114-K152 PolarHBondContact O-N 3.26Å |
| 115 | Y | 88.7 | Confident | 70 | Confident | 54 Ų | 54 | 67 Ų | 67 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.5 | -173.2 | -59.8 | -86.9 | 0 | 0 | 0 | 112.1 | F34 Q35 S113 F149 R150 K151 K152 | F34-Y115 HydrophobicContact CE1-CD1 4.45Å; F34-Y115 HydrophobicContact CE1-CD2 4.25Å; F34-Y115 HydrophobicContact CE1-CE1 4.25Å; F34-Y115 HydrophobicContact CE1-CE2 4.06Å; F34-Y115 HydrophobicContact CE1-CG 4.44Å; Q35-Y115 HydrophobicContact CG-CD2 4.31Å; S113-Y115 PolarHBondContact O-N 3.2Å; S113-Y115 PolarHBondContact OG-N 2.86Å; S113-Y115 PolarHBondContact OG-O 2.84Å; Y115-F149 AromaticContact CD1-CD2 3.64Å; Y115-F149 HydrophobicContact CD1-CD2 3.64Å; Y115-F149 AromaticContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CE1-CD2 4.33Å; Y115-F149 AromaticContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CG-CD2 4.26Å; Y115-F149 HydrophobicContact CG-CE2 4.45Å; Y115-R150 WeakPolarHBondContact CA-O 3.34Å; Y115-K151 HydrophobicContact CD1-CB 4.2Å; Y115-K151 HydrophobicContact CD1-CG 4.24Å; Y115-K151 HydrophobicContact CE1-CB 4.18Å; Y115-K151 HydrophobicContact CE1-CG 4.1Å; Y115-K152 VanDerWaalsContact O-CE 3.27Å; Y115-K152 WeakPolarHBondContact O-CE 3.24Å |
| 116 | E | 88.6 | Confident | 72.6 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127 | 174.7 | -173.1 | -177.9 | 173.8 | 0 | 0 | 107.9 | S106 K108 F149 R150 K152 | S106-E116 PolarHBondContact OG-OE1 3.09Å; K108-E116 WeakPolarHBondContact CE-OE2 3.35Å; K108-E116 HydrophobicContact CG-CG 4.49Å; K108-E116 VanDerWaalsContact CG-OE1 3.25Å; K108-E116 WeakPolarHBondContact CG-OE1 3.47Å; E116-F149 WeakPolarHBondContact O-CA 3.38Å; E116-F149 WeakPolarHBondContact O-CB 3.37Å; E116-R150 HydrophobicContact CB-CG 4.09Å; E116-R150 PolarHBondContact N-O 2.81Å; E116-R150 PolarHBondContact O-N 2.79Å; E116-R150 IonicContact OE1-CZ 2.69Å; E116-R150 IonicContact OE1-NE 2.68Å; E116-R150 IonicContact OE1-NH2 3.55Å; E116-R150 PolarHBondContact OE1-NH2 2.93Å; E116-R150 IonicContact OE2-CZ 3.77Å; E116-R150 IonicContact OE2-NE 3.24Å; E116-R150 PolarHBondContact OE2-NE 2.92Å; E116-R150 IonicContact OE2-NH2 3.91Å; E116-R150 PolarHBondContact OE2-NH2 3.23Å; E116-K152 HydrophobicContact CB-CG 3.87Å |
| 117 | V | 93.1 | Very high | 75.3 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.9 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | F7 L31 W131 V147 F149 | F7-V117 HydrophobicContact CE1-CG2 4.41Å; L31-V117 HydrophobicContact CD1-CG2 3.88Å; L31-V117 HydrophobicContact CD2-CG2 4.33Å; V117-W131 HydrophobicContact CB-CH2 4.34Å; V117-W131 HydrophobicContact CG1-CH2 3.75Å; V117-W131 HydrophobicContact CG1-CZ2 4.28Å; V117-V147 HydrophobicContact CG1-CG1 3.93Å; V117-V147 HydrophobicContact CG2-CG1 4.12Å; V117-F149 HydrophobicContact CG2-CB 4.42Å |
| 118 | D | 91.2 | Very high | 77.9 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -39.4 | 177.3 | -75 | -63.1 | 0 | 0 | 0 | 112.2 | N148 R150 | D118-N148 PolarHBondContact N-O 3.34Å; D118-R150 IonicContact OD1-CZ 3.25Å; D118-R150 IonicContact OD1-NH1 2.64Å; D118-R150 PolarHBondContact OD1-NH1 2.99Å; D118-R150 IonicContact OD1-NH2 2.97Å; D118-R150 PolarHBondContact OD1-NH2 2.79Å; D118-R150 IonicContact OD2-CZ 2.67Å; D118-R150 IonicContact OD2-NH1 3.5Å; D118-R150 PolarHBondContact OD2-NH1 3.45Å; D118-R150 IonicContact OD2-NH2 3.82Å |
| 119 | S | 93.2 | Very high | 80.7 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 157.4 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | N148 | S119-N148 PolarHBondContact N-O 3.22Å; S119-N148 PolarHBondContact O-N 3.31Å |
| 120 | L | 95.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.8 | 163.8 | -83.6 | 165.1 | 0 | 0 | 0 | 109 | V5 I23 L26 A27 I128 L129 L145 V147 | V5-L120 HydrophobicContact CG1-CD2 3.9Å; I23-L120 HydrophobicContact CG2-CD1 3.76Å; L26-L120 HydrophobicContact CD2-CD1 4.16Å; A27-L120 HydrophobicContact CB-CD1 3.88Å; L120-I128 WeakPolarHBondContact O-CA 3.41Å; L120-L129 HydrophobicContact CB-CD1 4.3Å; L120-L129 PolarHBondContact O-N 3.1Å; L120-L129 VanDerWaalsContact O-N 3.15Å; L120-L145 HydrophobicContact CD1-CD1 4.45Å; L120-L145 HydrophobicContact CD2-CB 3.96Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; L120-V147 HydrophobicContact CD2-CG2 3.34Å; L120-V147 HydrophobicContact CG-CG2 4.23Å |
| 121 | T | 94.1 | Very high | 85.6 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.9 | 173.9 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | A123 G127 I128 L145 I146 | T121-A123 PolarHBondContact O-N 3.25Å; T121-G127 CarbonylContact C-O 3.48Å; T121-G127 VanDerWaalsContact CA-O 3.29Å; T121-G127 WeakPolarHBondContact CA-O 3.42Å; T121-I128 HydrophobicContact CG2-CB 4.38Å; T121-I128 HydrophobicContact CG2-CG1 3.55Å; T121-L145 CarbonylContact O-C 3.31Å; T121-L145 VanDerWaalsContact O-CA 3.28Å; T121-L145 WeakPolarHBondContact O-CA 3.35Å; T121-I146 PolarHBondContact N-O 2.81Å; T121-I146 PolarHBondContact O-N 2.61Å; T121-I146 PolarHBondContact OG1-O 3.36Å |
| 122 | L | 93.1 | Very high | 87.8 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 121.8 | 168 | -90.1 | 160 | 0 | 0 | 0 | 110.7 | R124 D125 G126 G127 L129 L139 E143 L145 | L122-R124 HydrophobicContact CB-CG 4.45Å; L122-R124 HydrophobicContact CD2-CG 4.36Å; L122-R124 PolarHBondContact O-N 3.26Å; L122-D125 WeakPolarHBondContact CB-OD1 3.43Å; L122-D125 PolarHBondContact O-N 3.45Å; L122-G126 WeakPolarHBondContact O-CA 3.45Å; L122-G126 PolarHBondContact O-N 3.05Å; L122-G127 PolarHBondContact N-O 3.28Å; L122-L129 HydrophobicContact CD1-CD2 3.92Å; L122-L129 HydrophobicContact CG-CD2 4.19Å; L122-L139 HydrophobicContact CD1-CD2 4.42Å; L122-L139 HydrophobicContact CD2-CD2 3.63Å; L122-L139 HydrophobicContact CG-CD2 4.03Å; L122-E143 HydrophobicContact CD2-CB 4.36Å; L122-E143 WeakPolarHBondContact CD2-OE1 3.5Å; L122-L145 HydrophobicContact CD2-CD2 3.98Å; L122-L145 HydrophobicContact CG-CD2 4.09Å |
| 123 | A | 90.3 | Very high | 89.5 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T121 L144 I146 | T121-A123 PolarHBondContact O-N 3.25Å; A123-L144 HydrophobicContact CB-CB 4.21Å; A123-L144 HydrophobicContact CB-CD2 3.67Å; A123-L144 WeakPolarHBondContact CB-O 3.38Å; A123-L144 PolarHBondContact N-O 3.39Å; A123-I146 HydrophobicContact CB-CD1 4.01Å; A123-I146 HydrophobicContact CB-CG1 4.05Å |
| 124 | R | 83.3 | Confident | 90.9 | Very high | 144 Ų | 144 | 53.4 Ų | 53.4 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -27 | -178.7 | 74.6 | 178.5 | -179.7 | -152.4 | -5.7 | 114.3 | L122 D140 E143 | L122-R124 HydrophobicContact CB-CG 4.45Å; L122-R124 HydrophobicContact CD2-CG 4.36Å; L122-R124 PolarHBondContact O-N 3.26Å; R124-D140 IonicContact NH1-OD2 3.43Å; R124-E143 VanDerWaalsContact CD-OE1 3.29Å; R124-E143 WeakPolarHBondContact CD-OE1 3.41Å; R124-E143 IonicContact CZ-OE1 3.89Å; R124-E143 VanDerWaalsContact CZ-OE1 3.24Å; R124-E143 IonicContact CZ-OE2 3.13Å; R124-E143 IonicContact NE-OE1 2.91Å; R124-E143 PolarHBondContact NE-OE1 3.27Å; R124-E143 IonicContact NH1-OE1 2.83Å; R124-E143 PolarHBondContact NH1-OE1 2.88Å; R124-E143 IonicContact NH1-OE2 2.88Å; R124-E143 PolarHBondContact NH1-OE2 3.49Å; R124-E143 IonicContact NH2-OE2 3.28Å |
| 125 | D | 83.3 | Confident | 91.5 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.4 | -2.4 | -167 | 59.3 | 37 | 0 | 0 | 0 | 114.5 | L122 G127 K1258 | L122-D125 WeakPolarHBondContact CB-OD1 3.43Å; L122-D125 PolarHBondContact O-N 3.45Å; D125-G127 PolarHBondContact O-N 3.35Å; D125-G127 WeakPolarHBondContact OD1-CA 3.32Å; D125-G127 PolarHBondContact OD1-N 3.15Å; D125-K1258 PolarHBondContact O-NZ 2.82Å |
| 126 | G | 84.8 | Confident | 91.7 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | | | trans | 62.9 | 26.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L122 I128 K1258 | L122-G126 WeakPolarHBondContact O-CA 3.45Å; L122-G126 PolarHBondContact O-N 3.05Å; G126-I128 PolarHBondContact O-N 3.06Å; G126-K1258 PolarHBondContact O-NZ 2.8Å |
| 127 | G | 89.2 | Confident | 91.9 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 117 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T121 L122 D125 | T121-G127 CarbonylContact C-O 3.48Å; T121-G127 VanDerWaalsContact CA-O 3.29Å; T121-G127 WeakPolarHBondContact CA-O 3.42Å; L122-G127 PolarHBondContact N-O 3.28Å; D125-G127 PolarHBondContact O-N 3.35Å; D125-G127 WeakPolarHBondContact OD1-CA 3.32Å; D125-G127 PolarHBondContact OD1-N 3.15Å |
| 128 | I | 92.5 | Very high | 91.9 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 128.9 | 166.5 | -62.7 | 169.3 | 0 | 0 | 0 | 107.5 | L120 T121 G126 | L120-I128 WeakPolarHBondContact O-CA 3.41Å; T121-I128 HydrophobicContact CG2-CB 4.38Å; T121-I128 HydrophobicContact CG2-CG1 3.55Å; G126-I128 PolarHBondContact O-N 3.06Å |
| 129 | L | 94.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 139.9 | 175.1 | -52.2 | 175.5 | 0 | 0 | 0 | 109.1 | I23 L120 L122 V138 L139 L145 | I23-L129 HydrophobicContact CD1-CB 4.31Å; I23-L129 HydrophobicContact CD1-CD1 3.71Å; I23-L129 HydrophobicContact CG1-CB 4.16Å; I23-L129 HydrophobicContact CG1-CD1 4.47Å; I23-L129 HydrophobicContact CG2-CB 3.95Å; L120-L129 HydrophobicContact CB-CD1 4.3Å; L120-L129 PolarHBondContact O-N 3.1Å; L120-L129 VanDerWaalsContact O-N 3.15Å; L122-L129 HydrophobicContact CD1-CD2 3.92Å; L122-L129 HydrophobicContact CG-CD2 4.19Å; L129-V138 HydrophobicContact CD2-CB 4.34Å; L129-V138 HydrophobicContact CD2-CG2 4.24Å; L129-L139 HydrophobicContact CD1-CD1 4.06Å; L129-L139 HydrophobicContact CD1-CD2 3.94Å; L129-L139 HydrophobicContact CD1-CG 4.29Å; L129-L139 HydrophobicContact CD2-CD2 4.27Å; L129-L145 HydrophobicContact CD1-CD1 3.93Å; L129-L145 HydrophobicContact CD1-CD2 4Å |
| 130 | D | 93.3 | Very high | 91.6 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 151.6 | 174.3 | -144.1 | -38.1 | 0 | 0 | 0 | 109.4 | I23 D132 D133 R1299 | I23-D130 WeakPolarHBondContact CB-O 3.25Å; D130-D132 PolarHBondContact O-N 3.22Å; D130-D133 PolarHBondContact N-OD2 3.39Å; D130-D133 VanDerWaalsContact N-OD2 3.1Å; D130-D133 PolarHBondContact O-N 3.48Å; D130-R1299 IonicContact OD2-NH2 3.73Å; D130-R1299 PolarHBondContact OD2-NH2 2.89Å |
| 131 | W | 93.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.8 | -167.3 | -78.2 | 110.3 | 0 | 0 | 0 | 113.9 | I23 R24 A27 V117 | I23-W131 HydrophobicContact CG2-CE3 4.18Å; I23-W131 HydrophobicContact CG2-CZ3 4.44Å; R24-W131 HydrophobicContact CB-CE3 4.08Å; R24-W131 WeakPolarHBondContact CB-O 3.45Å; R24-W131 PolarHBondContact N-O 2.93Å; A27-W131 HydrophobicContact CB-CH2 3.94Å; A27-W131 HydrophobicContact CB-CZ3 3.56Å; V117-W131 HydrophobicContact CB-CH2 4.34Å; V117-W131 HydrophobicContact CG1-CH2 3.75Å; V117-W131 HydrophobicContact CG1-CZ2 4.28Å |
| 132 | D | 94.4 | Very high | 89.7 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 4.8 | -172 | -50.8 | -30.6 | 0 | 0 | 0 | 111.9 | R24 D130 | R24-D132 IonicContact NE-OD1 3.5Å; R24-D132 IonicContact NH2-OD1 3.83Å; D130-D132 PolarHBondContact O-N 3.22Å |
| 133 | D | 95.2 | Very high | 89.4 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.7 | 151.5 | 168.1 | -69.8 | -34.3 | 0 | 0 | 0 | 110.8 | L22 I23 D130 V138 | L22-D133 CarbonylContact C-O 3.58Å; L22-D133 VanDerWaalsContact CA-O 3.31Å; L22-D133 WeakPolarHBondContact CA-O 3.11Å; I23-D133 HydrophobicContact CG1-CB 3.94Å; I23-D133 PolarHBondContact N-O 3.27Å; D130-D133 PolarHBondContact N-OD2 3.39Å; D130-D133 VanDerWaalsContact N-OD2 3.1Å; D130-D133 PolarHBondContact O-N 3.48Å; D133-V138 HydrophobicContact CB-CG1 4.29Å; D133-V138 HydrophobicContact CB-CG2 4.06Å |
| 134 | R | 94.8 | Very high | 89.5 | Confident | 125 Ų | 125 | 72.8 Ų | 72.8 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 142.3 | 169.7 | -52.5 | -178 | -178.9 | -80 | -1.5 | 110.8 | S20 I21 L22 A136 D137 V138 | S20-R134 PolarHBondContact O-NH1 2.97Å; S20-R134 VanDerWaalsContact O-NH1 3.15Å; I21-R134 WeakPolarHBondContact O-CA 3.22Å; L22-R134 HydrophobicContact CD2-CG 4.27Å; R134-A136 VanDerWaalsContact C-N 3.26Å; R134-A136 PolarHBondContact O-N 2.88Å; R134-D137 HydrophobicContact CB-CB 4.33Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 WeakPolarHBondContact CD-OD2 3.47Å; R134-D137 WeakPolarHBondContact CG-OD2 3.33Å; R134-D137 PolarHBondContact O-N 3.02Å; R134-V138 WeakPolarHBondContact O-CG2 3.49Å |
| 135 | V | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.2 | -40.5 | 177.6 | 164.4 | 0 | 0 | 0 | 0 | 112.6 | M1 V3 C16 G19 I21 I23 L26 D137 L139 | M1-V135 HydrophobicContact CE-CG1 3.49Å; M1-V135 VanDerWaalsContact CE-CG1 3.49Å; M1-V135 HydrophobicContact SD-CG1 3.84Å; V3-V135 HydrophobicContact CG2-CG1 4.18Å; C16-V135 HydrophobicContact CB-CG1 4.06Å; G19-V135 PolarHBondContact O-N 3.32Å; I21-V135 HydrophobicContact CD1-CG2 4.03Å; I21-V135 HydrophobicContact CG1-CB 3.98Å; I21-V135 HydrophobicContact CG1-CG2 3.7Å; I21-V135 PolarHBondContact O-N 3.38Å; I23-V135 HydrophobicContact CD1-CG2 3.88Å; L26-V135 HydrophobicContact CB-CG2 3.97Å; L26-V135 HydrophobicContact CD1-CG2 4.27Å; L26-V135 HydrophobicContact CD2-CG2 4.03Å; L26-V135 HydrophobicContact CG-CG2 4.32Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.11Å; V135-L139 HydrophobicContact CG1-CD1 4.35Å; V135-L139 WeakPolarHBondContact O-CB 3.24Å; V135-L139 PolarHBondContact O-N 3.38Å |
| 136 | A | 92.8 | Very high | 90.7 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.9 | -21.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | M1 G19 R134 | M1-A136 HydrophobicContact SD-CB 3.99Å; G19-A136 WeakPolarHBondContact O-CB 3.35Å; G19-A136 PolarHBondContact O-N 2.71Å; R134-A136 VanDerWaalsContact C-N 3.26Å; R134-A136 PolarHBondContact O-N 2.88Å |
| 137 | D | 93.1 | Very high | 91.2 | Very high | 117 Ų | 117 | 64.7 Ų | 64.7 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -86.6 | -20.5 | -176 | -61.2 | -19.4 | 0 | 0 | 0 | 111.8 | R134 V135 | R134-D137 HydrophobicContact CB-CB 4.33Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 WeakPolarHBondContact CD-OD2 3.47Å; R134-D137 WeakPolarHBondContact CG-OD2 3.33Å; R134-D137 PolarHBondContact O-N 3.02Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.11Å |
| 138 | V | 92.6 | Very high | 91.4 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -127.3 | -10.5 | -173.8 | -68.1 | 0 | 0 | 0 | 0 | 116 | I23 L129 D133 R134 | I23-V138 HydrophobicContact CD1-CG2 3.99Å; I23-V138 HydrophobicContact CG1-CG2 4.25Å; L129-V138 HydrophobicContact CD2-CB 4.34Å; L129-V138 HydrophobicContact CD2-CG2 4.24Å; D133-V138 HydrophobicContact CB-CG1 4.29Å; D133-V138 HydrophobicContact CB-CG2 4.06Å; R134-V138 WeakPolarHBondContact O-CG2 3.49Å |
| 139 | L | 91.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | | | trans | -131.2 | 145.8 | -176.4 | -59.5 | 174.1 | 0 | 0 | 0 | 114.2 | M1 V3 I23 L26 L122 L129 V135 L145 | M1-L139 HydrophobicContact CE-CB 4.14Å; M1-L139 WeakPolarHBondContact CE-O 3.43Å; V3-L139 HydrophobicContact CG1-CD1 4.34Å; V3-L139 HydrophobicContact CG2-CD1 4.29Å; I23-L139 HydrophobicContact CD1-CD1 4.04Å; L26-L139 HydrophobicContact CD2-CD1 4.12Å; L122-L139 HydrophobicContact CD1-CD2 4.42Å; L122-L139 HydrophobicContact CD2-CD2 3.63Å; L122-L139 HydrophobicContact CG-CD2 4.03Å; L129-L139 HydrophobicContact CD1-CD1 4.06Å; L129-L139 HydrophobicContact CD1-CD2 3.94Å; L129-L139 HydrophobicContact CD1-CG 4.29Å; L129-L139 HydrophobicContact CD2-CD2 4.27Å; V135-L139 HydrophobicContact CG1-CD1 4.35Å; V135-L139 WeakPolarHBondContact O-CB 3.24Å; V135-L139 PolarHBondContact O-N 3.38Å; L139-L145 HydrophobicContact CD1-CD1 3.86Å; L139-L145 HydrophobicContact CD1-CD2 4.42Å; L139-L145 HydrophobicContact CD2-CD2 3.8Å |
| 140 | D | 88.4 | Confident | 91.3 | Very high | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | | | trans | -87.6 | 159.9 | 168.6 | -74.5 | -61.3 | 0 | 0 | 0 | 113.5 | R124 R142 E143 | R124-D140 IonicContact NH1-OD2 3.43Å; D140-R142 PolarHBondContact O-N 2.97Å; D140-E143 HydrophobicContact CB-CG 3.75Å; D140-E143 PolarHBondContact N-OE2 3.2Å; D140-E143 VanDerWaalsContact N-OE2 3.09Å; D140-E143 PolarHBondContact O-N 2.78Å |
| 141 | D | 77.6 | Confident | 91 | Very high | 92 Ų | 92 | 71.3 Ų | 71.3 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 7.7 | -176.1 | -122.9 | 96 | 0 | 0 | 0 | 116.4 | M1 K2 | M1-D141 WeakPolarHBondContact CA-OD1 3.18Å; M1-D141 WeakPolarHBondContact CA-OD2 3.37Å; M1-D141 WeakPolarHBondContact CG-OD1 3.32Å; M1-D141 PolarHBondContact N-OD1 2.8Å; M1-D141 PolarHBondContact N-OD2 3.16Å; K2-D141 PolarHBondContact N-OD2 3.48Å; K2-D141 CarbonylContact O-C 3.59Å |
| 142 | R | 72 | Confident | 90.4 | Very high | 234 Ų | 234 | 72.2 Ų | 72.2 | 88% | 0.883 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.2 | 6.6 | -176.8 | -61.9 | -172.7 | -178 | 179.6 | 1.8 | 114.4 | D140 | D140-R142 PolarHBondContact O-N 2.97Š|
| 143 | E | 85.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | | | trans | -72.3 | 151.9 | -170.9 | -58.3 | -143.9 | 83.5 | 0 | 0 | 113.5 | T4 L122 R124 D140 | T4-E143 PolarHBondContact N-O 2.77Å; L122-E143 HydrophobicContact CD2-CB 4.36Å; L122-E143 WeakPolarHBondContact CD2-OE1 3.5Å; R124-E143 VanDerWaalsContact CD-OE1 3.29Å; R124-E143 WeakPolarHBondContact CD-OE1 3.41Å; R124-E143 IonicContact CZ-OE1 3.89Å; R124-E143 VanDerWaalsContact CZ-OE1 3.24Å; R124-E143 IonicContact CZ-OE2 3.13Å; R124-E143 IonicContact NE-OE1 2.91Å; R124-E143 PolarHBondContact NE-OE1 3.27Å; R124-E143 IonicContact NH1-OE1 2.83Å; R124-E143 PolarHBondContact NH1-OE1 2.88Å; R124-E143 IonicContact NH1-OE2 2.88Å; R124-E143 PolarHBondContact NH1-OE2 3.49Å; R124-E143 IonicContact NH2-OE2 3.28Å; D140-E143 HydrophobicContact CB-CG 3.75Å; D140-E143 PolarHBondContact N-OE2 3.2Å; D140-E143 VanDerWaalsContact N-OE2 3.09Å; D140-E143 PolarHBondContact O-N 2.78Å |
| 144 | L | 92.4 | Very high | 86.4 | Confident | 64 Ų | 64 | 75 Ų | 75 | 34% | 0.335 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.3 | 178.2 | -163.2 | 118.4 | 0 | 0 | 0 | 108 | T4 A123 | T4-L144 HydrophobicContact CG2-CD1 3.84Å; T4-L144 HydrophobicContact CG2-CG 4.49Å; T4-L144 CarbonylContact O-C 3.54Å; T4-L144 WeakPolarHBondContact O-CA 3.49Å; A123-L144 HydrophobicContact CB-CB 4.21Å; A123-L144 HydrophobicContact CB-CD2 3.67Å; A123-L144 WeakPolarHBondContact CB-O 3.38Å; A123-L144 PolarHBondContact N-O 3.39Å |
| 145 | L | 96.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 145.9 | 175.7 | -56.6 | -175.7 | 0 | 0 | 0 | 110 | V3 T4 V5 C6 L26 L120 T121 L122 L129 L139 | V3-L145 HydrophobicContact CG1-CD1 3.86Å; V3-L145 HydrophobicContact CG1-CG 3.95Å; T4-L145 PolarHBondContact O-N 3.27Å; V5-L145 HydrophobicContact CG1-CB 4.49Å; V5-L145 HydrophobicContact CG2-CB 4.47Å; V5-L145 HydrophobicContact CG2-CD1 4.46Å; C6-L145 WeakPolarHBondContact CB-O 3.23Å; C6-L145 PolarHBondContact N-O 3.35Å; L26-L145 HydrophobicContact CD2-CD1 3.6Å; L120-L145 HydrophobicContact CD1-CD1 4.45Å; L120-L145 HydrophobicContact CD2-CB 3.96Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; T121-L145 CarbonylContact O-C 3.31Å; T121-L145 VanDerWaalsContact O-CA 3.28Å; T121-L145 WeakPolarHBondContact O-CA 3.35Å; L122-L145 HydrophobicContact CD2-CD2 3.98Å; L122-L145 HydrophobicContact CG-CD2 4.09Å; L129-L145 HydrophobicContact CD1-CD1 3.93Å; L129-L145 HydrophobicContact CD1-CD2 4Å; L139-L145 HydrophobicContact CD1-CD1 3.86Å; L139-L145 HydrophobicContact CD1-CD2 4.42Å; L139-L145 HydrophobicContact CD2-CD2 3.8Å |
| 146 | I | 95.8 | Very high | 80.5 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.6 | 168.3 | -59.6 | 168.2 | 0 | 0 | 0 | 106.5 | T121 A123 | T121-I146 PolarHBondContact N-O 2.81Å; T121-I146 PolarHBondContact O-N 2.61Å; T121-I146 PolarHBondContact OG1-O 3.36Å; A123-I146 HydrophobicContact CB-CD1 4.01Å; A123-I146 HydrophobicContact CB-CG1 4.05Å |
| 147 | V | 95.2 | Very high | 77.4 | Confident | 5 Ų | 5 | 84.2 Ų | 84.2 | 3% | 0.03 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.6 | 171 | 162.4 | 0 | 0 | 0 | 0 | 109 | V5 C6 F7 V117 L120 F149 | V5-V147 HydrophobicContact CG1-CB 4.45Å; V5-V147 HydrophobicContact CG1-CG2 3.32Å; C6-V147 PolarHBondContact O-N 3.19Å; F7-V147 HydrophobicContact CD1-CB 3.97Å; F7-V147 HydrophobicContact CD1-CG1 3.67Å; F7-V147 HydrophobicContact CD1-CG2 4.37Å; F7-V147 HydrophobicContact CE1-CB 4Å; F7-V147 HydrophobicContact CE1-CG1 3.59Å; F7-V147 HydrophobicContact CE1-CG2 3.97Å; F7-V147 HydrophobicContact CE2-CG2 4.32Å; F7-V147 HydrophobicContact CG-CB 4.37Å; F7-V147 HydrophobicContact CZ-CB 4.42Å; F7-V147 HydrophobicContact CZ-CG1 4.38Å; F7-V147 HydrophobicContact CZ-CG2 3.94Å; V117-V147 HydrophobicContact CG1-CG1 3.93Å; V117-V147 HydrophobicContact CG2-CG1 4.12Å; L120-V147 HydrophobicContact CD2-CG2 3.34Å; L120-V147 HydrophobicContact CG-CG2 4.23Å; V147-F149 HydrophobicContact CG1-CB 3.61Å; V147-F149 HydrophobicContact CG1-CD1 3.76Å; V147-F149 HydrophobicContact CG1-CG 3.88Å |
| 148 | N | 93.2 | Very high | 74.3 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.6 | 158.8 | -170.1 | 10 | 0 | 0 | 0 | 108.6 | D118 S119 | D118-N148 PolarHBondContact N-O 3.34Å; S119-N148 PolarHBondContact N-O 3.22Å; S119-N148 PolarHBondContact O-N 3.31Å |
| 149 | F | 94.2 | Very high | 71.2 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 13% | 0.132 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.4 | -173.6 | 68.8 | -58.2 | 0 | 0 | 0 | 111.5 | F7 D8 F34 Y115 E116 V117 V147 | F7-F149 HydrophobicContact CB-CE1 4.01Å; F7-F149 HydrophobicContact CB-CZ 3.93Å; F7-F149 HydrophobicContact CD1-CD1 4.14Å; F7-F149 HydrophobicContact CD1-CD2 4.1Å; F7-F149 HydrophobicContact CD1-CE1 4.2Å; F7-F149 HydrophobicContact CD1-CE2 4.15Å; F7-F149 HydrophobicContact CD1-CG 4.11Å; F7-F149 HydrophobicContact CD1-CZ 4.21Å; D8-F149 WeakPolarHBondContact OD2-CZ 3.45Å; F34-F149 AromaticContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CZ 4.31Å; F34-F149 AromaticContact CZ-CE2 3.81Å; F34-F149 HydrophobicContact CZ-CE2 3.81Å; F34-F149 AromaticContact CZ-CZ 3.96Å; F34-F149 HydrophobicContact CZ-CZ 3.96Å; Y115-F149 AromaticContact CD1-CD2 3.64Å; Y115-F149 HydrophobicContact CD1-CD2 3.64Å; Y115-F149 AromaticContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CE1-CD2 4.33Å; Y115-F149 AromaticContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CG-CD2 4.26Å; Y115-F149 HydrophobicContact CG-CE2 4.45Å; E116-F149 WeakPolarHBondContact O-CA 3.38Å; E116-F149 WeakPolarHBondContact O-CB 3.37Å; V117-F149 HydrophobicContact CG2-CB 4.42Å; V147-F149 HydrophobicContact CG1-CB 3.61Å; V147-F149 HydrophobicContact CG1-CD1 3.76Å; V147-F149 HydrophobicContact CG1-CG 3.88Å |
| 150 | R | 91 | Very high | 68.3 | Low | 95 Ų | 95 | 90.4 Ų | 90.4 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 151 | 171.1 | 55.6 | 167.5 | 162.6 | -82.9 | -11.4 | 110.5 | Y115 E116 D118 K152 | Y115-R150 WeakPolarHBondContact CA-O 3.34Å; E116-R150 HydrophobicContact CB-CG 4.09Å; E116-R150 PolarHBondContact N-O 2.81Å; E116-R150 PolarHBondContact O-N 2.79Å; E116-R150 IonicContact OE1-CZ 2.69Å; E116-R150 IonicContact OE1-NE 2.68Å; E116-R150 IonicContact OE1-NH2 3.55Å; E116-R150 PolarHBondContact OE1-NH2 2.93Å; E116-R150 IonicContact OE2-CZ 3.77Å; E116-R150 IonicContact OE2-NE 3.24Å; E116-R150 PolarHBondContact OE2-NE 2.92Å; E116-R150 IonicContact OE2-NH2 3.91Å; E116-R150 PolarHBondContact OE2-NH2 3.23Å; D118-R150 IonicContact OD1-CZ 3.25Å; D118-R150 IonicContact OD1-NH1 2.64Å; D118-R150 PolarHBondContact OD1-NH1 2.99Å; D118-R150 IonicContact OD1-NH2 2.97Å; D118-R150 PolarHBondContact OD1-NH2 2.79Å; D118-R150 IonicContact OD2-CZ 2.67Å; D118-R150 IonicContact OD2-NH1 3.5Å; D118-R150 PolarHBondContact OD2-NH1 3.45Å; D118-R150 IonicContact OD2-NH2 3.82Å; R150-K152 PolarHBondContact O-N 3.45Å |
| 151 | K | 87.2 | Confident | 65.3 | Low | 116 Ų | 116 | 89 Ų | 89 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 127.4 | 158.4 | -159.1 | 178 | -175.3 | 178.1 | 0 | 108 | D114 Y115 T153 | D114-K151 VanDerWaalsContact CG-CE 3.49Å; D114-K151 CarbonylContact O-C 3.57Å; D114-K151 WeakPolarHBondContact O-CA 3.42Å; D114-K151 WeakPolarHBondContact O-CG 3.47Å; D114-K151 WeakPolarHBondContact OD2-CE 3.45Å; D114-K151 IonicContact OD2-NZ 2.73Å; D114-K151 PolarHBondContact OD2-NZ 3.24Å; Y115-K151 HydrophobicContact CD1-CB 4.2Å; Y115-K151 HydrophobicContact CD1-CG 4.24Å; Y115-K151 HydrophobicContact CE1-CB 4.18Å; Y115-K151 HydrophobicContact CE1-CG 4.1Å; K151-T153 PolarHBondContact O-N 2.97Å |
| 152 | K | 80.4 | Confident | 62.9 | Low | 55 Ų | 55 | 90.9 Ų | 90.9 | 24% | 0.239 | 52% | 0.521 | C | S | . | . | | | trans | -60.6 | 108.8 | 167.6 | -67.5 | -178.2 | -167 | 153.7 | 0 | 106.9 | I111 S113 D114 Y115 E116 R150 S154 | I111-K152 PolarHBondContact O-NZ 3.42Å; I111-K152 VanDerWaalsContact O-NZ 3.08Å; S113-K152 VanDerWaalsContact O-CD 3.26Å; S113-K152 WeakPolarHBondContact O-CD 3.27Å; S113-K152 VanDerWaalsContact O-CE 3.29Å; S113-K152 WeakPolarHBondContact O-CE 3.37Å; S113-K152 PolarHBondContact O-NZ 3.49Å; D114-K152 PolarHBondContact O-N 3.26Å; Y115-K152 VanDerWaalsContact O-CE 3.27Å; Y115-K152 WeakPolarHBondContact O-CE 3.24Å; E116-K152 HydrophobicContact CB-CG 3.87Å; R150-K152 PolarHBondContact O-N 3.45Å; K152-S154 PolarHBondContact O-N 3.49Å |
| 153 | T | 60.8 | Low | 60.7 | Low | 119 Ų | 119 | 85.8 Ų | 85.8 | 73% | 0.73 | 51% | 0.509 | S | S | * | . | | | trans | -64.4 | 108.4 | 169.2 | 40.4 | 0 | 0 | 0 | 0 | 107.8 | K151 L155 | K151-T153 PolarHBondContact O-N 2.97Å; T153-L155 PolarHBondContact O-N 2.78Å |
| 154 | S | 45.5 | Very low | 57.9 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 78% | 0.776 | 54% | 0.544 | S | S | * | . | | | trans | -68.7 | 85.7 | 174 | 56.7 | 0 | 0 | 0 | 0 | 108.6 | K152 A156 | K152-S154 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact O-N 3Å |
| 155 | L | 33.4 | Very low | 54.7 | Low | 164 Ų | 164 | 93.4 Ų | 93.4 | 86% | 0.859 | 56% | 0.56 | S | S | * | * | | | trans | -64.4 | 75 | 165 | -87.8 | 147.2 | 0 | 0 | 0 | 108.7 | T153 S157 | T153-L155 PolarHBondContact O-N 2.78Å; L155-S157 PolarHBondContact O-N 2.95Å |
| 156 | A | 31.6 | Very low | 51.4 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | | | trans | -55.1 | 134 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S154 S158 | S154-A156 PolarHBondContact O-N 3Å; A156-S158 PolarHBondContact O-N 3.04Å |
| 157 | S | 27.2 | Very low | 48.2 | Very low | 130 Ų | 130 | 102.7 Ų | 102.7 | 91% | 0.909 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -59.2 | 95.9 | 178.2 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | L155 | L155-S157 PolarHBondContact O-N 2.95Š|
| 158 | S | 29.1 | Very low | 45 | Very low | 83 Ų | 83 | 108 Ų | 108 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | | | trans | -151.8 | 72.5 | -173.4 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | A156 V160 | A156-S158 PolarHBondContact O-N 3.04Å; S158-V160 PolarHBondContact O-N 3.22Å; S158-V160 VanDerWaalsContact OG-CG2 3.31Å; S158-V160 WeakPolarHBondContact OG-CG2 3.4Å |
| 159 | S | 26.2 | Very low | 42 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | | | trans | -69.7 | 83.2 | 160.4 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 160 | V | 31.1 | Very low | 38.9 | Very low | 92 Ų | 92 | 119 Ų | 119 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | | | trans | -129 | 109.1 | -175.8 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | S158 I163 | S158-V160 PolarHBondContact O-N 3.22Å; S158-V160 VanDerWaalsContact OG-CG2 3.31Å; S158-V160 WeakPolarHBondContact OG-CG2 3.4Å; V160-I163 HydrophobicContact CG1-CD1 3.74Å; V160-I163 HydrophobicContact CG1-CG1 3.89Å |
| 161 | A | 25.5 | Very low | 35.8 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | trans | -64 | 158.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I163 | A161-I163 PolarHBondContact O-N 3.39Š|
| 162 | P | 26.2 | Very low | 32.9 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | | | trans | -57.6 | 124.1 | -175.8 | 23 | -34.6 | 0 | 0 | 0 | 112 | | |
| 163 | I | 27.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 65% | 0.646 | 75% | 0.752 | S | S | * | * | | | trans | -96.8 | 106.2 | 179.8 | -55.7 | 179.7 | 0 | 0 | 0 | 109.3 | V160 A161 V165 | V160-I163 HydrophobicContact CG1-CD1 3.74Å; V160-I163 HydrophobicContact CG1-CG1 3.89Å; A161-I163 PolarHBondContact O-N 3.39Å; I163-V165 HydrophobicContact CG2-CG2 3.7Å |
| 164 | T | 26.4 | Very low | 29 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | -92.6 | 123.5 | 156.8 | -55.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 165 | V | 25.5 | Very low | 28.1 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | | | trans | -96.5 | 128.4 | 179.8 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I163 | I163-V165 HydrophobicContact CG2-CG2 3.7Š|
| 166 | T | 26.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | -140.2 | 140.3 | 162.6 | -41.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 167 | I | 28.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | trans | -104.7 | 133 | -175.3 | -58.5 | 167.8 | 0 | 0 | 0 | 108.8 | | |
| 168 | P | 28.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | -92.7 | 139 | 177 | 34.4 | -32.1 | 0 | 0 | 0 | 112.7 | | |
| 169 | K | 30.1 | Very low | 28.4 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | | | trans | -161.8 | 101.6 | 149.8 | -123 | -176.4 | 178.6 | -167.2 | 0 | 114.8 | | |
| 170 | E | 30 | Very low | 28.7 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 58.3 | -179.2 | 143.1 | -63 | 177.9 | 132.4 | 0 | 0 | 119.8 | | |
| 171 | L | 26.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -119.3 | 151.5 | -146.7 | -87.9 | 75.1 | 0 | 0 | 0 | 114.8 | | |
| 172 | K | 25.9 | Very low | 28.8 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 63.5 | 136.8 | 150.3 | -70 | 174.1 | 177.8 | -177.3 | 0 | 116.9 | | |
| 173 | D | 29 | Very low | 29 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | | -158.8 | -169.7 | 61.6 | -112.9 | -30.1 | 0 | 0 | 0 | 115.3 | | |
| 174 | S | 29.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | -55 | 175.6 | 174.3 | 48 | 0 | 0 | 0 | 0 | 116.8 | | |
| 175 | S | 28.5 | Very low | 29.3 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | | | cis | -177.5 | 150.1 | -20 | 168.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 176 | F | 27.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | | | trans | 30.1 | 131.7 | 157.5 | -81.8 | -107.6 | 0 | 0 | 0 | 121.5 | | |
| 177 | D | 30.5 | Very low | 29.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | | -165 | 175 | 90.8 | -135 | -34.1 | 0 | 0 | 0 | 114.5 | | |
| 178 | H | 28.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | | | trans | -116.5 | -163.7 | -171.5 | -122.3 | -9.4 | 0 | 0 | 0 | 111 | | |
| 179 | P | 40.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | | | cis | -146.1 | -172.6 | 15.9 | 46.8 | -27.1 | 0 | 0 | 0 | 118.2 | | |
| 180 | K | 32.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | | | trans | 69.1 | 117.4 | 162 | -64.4 | 170.9 | -173.9 | 176 | 0 | 116.9 | | |
| 181 | R | 29.7 | Very low | 28.8 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 85% | 0.849 | 72% | 0.722 | S | S | * | * | | | cis | 71.7 | 137.8 | 23.3 | -140.6 | -165.9 | -176.6 | -159.5 | -0.4 | 113 | | |
| 182 | L | 28.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | | | cis | -120 | 175.5 | 8.4 | -57.3 | 139.4 | 0 | 0 | 0 | 109.7 | | |
| 183 | Q | 30.8 | Very low | 28.7 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 64% | 0.64 | 72% | 0.719 | S | S | * | * | | | cis | -157.6 | -165.4 | -6.1 | -132 | 171.5 | -63.9 | 0 | 0 | 106.2 | D185 | Q183-D185 PolarHBondContact NE2-OD2 3.03Š|
| 184 | S | 30.2 | Very low | 28.5 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | | | cis | -167.3 | 150.5 | -4.5 | 37.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 185 | D | 29.6 | Very low | 28.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 56% | 0.556 | 71% | 0.714 | S | S | * | * | | | cis | -151.7 | 138.4 | -18.6 | -99.2 | -35.6 | 0 | 0 | 0 | 109.6 | Q183 | Q183-D185 PolarHBondContact NE2-OD2 3.03Š|
| 186 | F | 29.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | | | trans | 42.6 | 92.9 | 163.3 | -62.8 | -78.8 | 0 | 0 | 0 | 120.8 | | |
| 187 | S | 28.4 | Very low | 28.4 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | | | | 8.2 | 142.1 | 114.5 | 64.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 188 | S | 25 | Very low | 28.2 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | | 53.7 | 154.9 | 57.2 | 108.7 | 0 | 0 | 0 | 0 | 112 | | |
| 189 | S | 24.3 | Very low | 28.3 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | | | cis | -178.3 | -176.3 | -3.8 | 40.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 190 | S | 24.5 | Very low | 27.7 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | | | trans | 64.9 | 132.5 | 154.9 | 36.7 | 0 | 0 | 0 | 0 | 118 | | |
| 191 | N | 26.6 | Very low | 27.3 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | | | | 70.2 | 161.5 | 54.3 | -67.9 | -7.7 | 0 | 0 | 0 | 114.2 | | |
| 192 | I | 25.5 | Very low | 27 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | 87.5 | 98.1 | -179.9 | -53.9 | 173.9 | 0 | 0 | 0 | 110.8 | | |
| 193 | N | 24.3 | Very low | 27 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | | | | 74.2 | 149.1 | 75.2 | -68.7 | 46 | 0 | 0 | 0 | 111.7 | | |
| 194 | D | 25.8 | Very low | 26.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | cis | -161.3 | 178.2 | 1.7 | -128.8 | -48.1 | 0 | 0 | 0 | 110.9 | | |
| 195 | S | 24.6 | Very low | 26.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | trans | 134.2 | 104.6 | 139.9 | 71.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 196 | S | 27.3 | Very low | 26.7 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | 39.9 | 127.2 | 135.4 | 64.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 197 | L | 30.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | | | | -160.9 | 166.5 | 105.4 | -145.2 | 67.8 | 0 | 0 | 0 | 113.1 | | |
| 198 | N | 26.9 | Very low | 26.4 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | -76.6 | 152.5 | 179.2 | -53.3 | -79.6 | 0 | 0 | 0 | 113.7 | | |
| 199 | Q | 31.1 | Very low | 26.8 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 55% | 0.547 | 73% | 0.734 | S | S | . | * | | | | -174 | 155.7 | 109.5 | -101.4 | 173.4 | 79.6 | 0 | 0 | 113.7 | T642 T643 | Q199-T642 VanDerWaalsContact OE1-CB 3.23Å; Q199-T642 VanDerWaalsContact OE1-CG2 3.28Å; Q199-T643 WeakPolarHBondContact CG-OG1 3.15Å; Q199-T643 PolarHBondContact OE1-OG1 2.92Å |
| 200 | V | 26.9 | Very low | 27.1 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | -122.7 | 110.1 | 167.4 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 201 | K | 24.3 | Very low | 27.5 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | -156.6 | 152.7 | 142.9 | -136.2 | 177.2 | -179 | -175.5 | 0 | 110.5 | | |
| 202 | F | 23.3 | Very low | 27.8 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | | | trans | -50.6 | 141.1 | 179.1 | -71.4 | -105.2 | 0 | 0 | 0 | 113.1 | | |
| 203 | N | 27.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | | -163 | 125.7 | 129.2 | -108.2 | 3 | 0 | 0 | 0 | 112.9 | | |
| 204 | Y | 25.4 | Very low | 28.3 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 82% | 0.82 | 69% | 0.691 | S | S | * | * | | | trans | -63.9 | 178.9 | 141.4 | -87.9 | -81.8 | 0 | 0 | 0 | 109.6 | | |
| 205 | P | 32.9 | Very low | 28.5 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 53% | 0.532 | 69% | 0.689 | S | S | . | * | | | cis | -131.9 | -152.4 | -14.1 | 19.9 | 7.2 | 0 | 0 | 0 | 111 | | |
| 206 | F | 25.5 | Very low | 28.8 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | | | trans | 76.9 | 144.2 | 156.2 | -55.4 | -49.8 | 0 | 0 | 0 | 117.8 | | |
| 207 | S | 24.7 | Very low | 28.9 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | | | cis | -165.1 | 157.8 | -19.8 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 208 | N | 27.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | | | trans | -56 | 139.9 | 173.4 | -60.6 | 6.1 | 0 | 0 | 0 | 111.7 | | |
| 209 | I | 34.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | | | trans | -133.7 | 110.9 | 149.5 | -66.8 | -176.2 | 0 | 0 | 0 | 106.6 | | |
| 210 | D | 29.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | | | trans | -67.2 | 151.1 | 163.7 | -56.9 | -86.9 | 0 | 0 | 0 | 110.1 | | |
| 211 | N | 33.1 | Very low | 28.8 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | | | | 173.4 | 142.1 | 105.5 | -87.7 | -56.8 | 0 | 0 | 0 | 114 | | |
| 212 | D | 32 | Very low | 29 | Very low | 55 Ų | 55 | 129 Ų | 129 | 29% | 0.294 | 64% | 0.643 | S | S | . | * | | | trans | 48.2 | 108.8 | 143.1 | -75.8 | -63.3 | 0 | 0 | 0 | 122.6 | S256 L257 | D212-S256 VanDerWaalsContact O-CA 3.31Å; D212-S256 WeakPolarHBondContact O-CA 3.08Å; D212-L257 HydrophobicContact CB-CD2 4.27Å; D212-L257 HydrophobicContact CB-CG 4.14Å; D212-L257 WeakPolarHBondContact OD2-CD2 3.49Å |
| 213 | K | 32.4 | Very low | 29.5 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 47% | 0.47 | 65% | 0.645 | S | S | . | * | | | | 73.2 | 134.9 | 95.4 | -161.3 | 168.6 | -177.7 | 174.1 | 0 | 121.3 | S256 T258 | K213-S256 WeakPolarHBondContact O-CA 3.35Å; K213-T258 WeakPolarHBondContact CE-O 3.35Å; K213-T258 WeakPolarHBondContact CG-O 3.45Å |
| 214 | F | 28 | Very low | 29.7 | Very low | 112 Ų | 112 | 126 Ų | 126 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | | | trans | 66.1 | 150.1 | 160.7 | -82.9 | -142.6 | 0 | 0 | 0 | 116.6 | | |
| 215 | E | 31.2 | Very low | 30 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | | | cis | -135.4 | -158.1 | -3 | -143.2 | -166.5 | 148 | 0 | 0 | 113.2 | | |
| 216 | R | 31.4 | Very low | 30 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 67% | 0.672 | 65% | 0.646 | S | S | * | * | | | trans | -97.9 | 156.9 | -160.3 | -59.8 | 171.7 | -175.3 | 91.8 | -3.6 | 114.1 | | |
| 217 | N | 28.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | | | trans | 52.2 | 136.6 | 135.2 | -72.1 | -12 | 0 | 0 | 0 | 121.9 | | |
| 218 | Q | 29.2 | Very low | 30.6 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | | | trans | 69.8 | 131.6 | 150.8 | -73.6 | -176.6 | 25.7 | 0 | 0 | 116.5 | | |
| 219 | M | 25.7 | Very low | 30.9 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 59% | 0.586 | 65% | 0.647 | S | S | * | * | | | cis | -162.2 | -152.6 | -12.3 | -159.2 | -175.9 | -149.7 | 0 | 0 | 105.2 | | |
| 220 | I | 26.8 | Very low | 30.9 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 34% | 0.338 | 64% | 0.643 | S | S | . | * | | | trans | 78.9 | 140.6 | 148.8 | -57.2 | 136.2 | 0 | 0 | 0 | 117 | S247 L248 | I220-S247 VanDerWaalsContact CG1-CA 3.46Å; I220-L248 VanDerWaalsContact CG1-CA 3.47Å; I220-L248 HydrophobicContact CG2-CD2 4.1Å |
| 221 | S | 31.2 | Very low | 31.3 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | | | cis | -134.1 | 161.8 | 13.4 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 222 | S | 28.2 | Very low | 31.8 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 42% | 0.42 | 65% | 0.646 | S | S | . | * | | | trans | -115.6 | 154.8 | 174.9 | 48 | 0 | 0 | 0 | 0 | 111.3 | S246 S247 | S222-S246 WeakPolarHBondContact CA-OG 3.4Å; S222-S246 WeakPolarHBondContact CB-OG 3.43Å; S222-S246 PolarHBondContact N-OG 3.19Å; S222-S246 PolarHBondContact OG-OG 2.99Å; S222-S247 PolarHBondContact OG-OG 2.85Å |
| 223 | S | 35 | Very low | 31.9 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | | | trans | -101.8 | 145.7 | 162.4 | -158.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 224 | M | 31.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | | | trans | -89.4 | 174.2 | 179.1 | -48.4 | -180 | 81.8 | 0 | 0 | 109.4 | | |
| 225 | N | 32.5 | Very low | 32 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | | | cis | -153.9 | 176.7 | 17.5 | -143.9 | -20.2 | 0 | 0 | 0 | 112.7 | | |
| 226 | K | 30.8 | Very low | 32 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | | | trans | -101 | 159.3 | -172.1 | -55.9 | 169.8 | -178.2 | 175.1 | 0 | 113.2 | I228 | K226-I228 HydrophobicContact CB-CD1 3.96Å; K226-I228 HydrophobicContact CB-CG1 4.4Å; K226-I228 HydrophobicContact CD-CD1 4.14Å |
| 227 | H | 33.2 | Very low | 32 | Very low | 180 Ų | 180 | 129 Ų | 129 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | | | trans | 179 | 119.5 | 131.9 | -97.8 | -74 | 0 | 0 | 0 | 107.6 | | |
| 228 | I | 30.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 59% | 0.59 | 70% | 0.701 | S | S | * | * | | | cis | 89.2 | 119.4 | 34.3 | -59.3 | 171.8 | 0 | 0 | 0 | 114.1 | K226 | K226-I228 HydrophobicContact CB-CD1 3.96Å; K226-I228 HydrophobicContact CB-CG1 4.4Å; K226-I228 HydrophobicContact CD-CD1 4.14Å |
| 229 | T | 35 | Very low | 32.1 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 70% | 0.696 | S | S | * | * | | | trans | -159.6 | 132.7 | 157.7 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 230 | T | 34.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | | | trans | -157.8 | 134.4 | -168 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 231 | I | 36 | Very low | 32.2 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | | | trans | -172.2 | 140.4 | 163.2 | -103.6 | 149 | 0 | 0 | 0 | 111.7 | | |
| 232 | P | 44.7 | Very low | 32 | Very low | 92 Ų | 92 | 131 Ų | 131 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | | | cis | -145.2 | 171.9 | -25.5 | 44.8 | -28.1 | 0 | 0 | 0 | 116.7 | | |
| 233 | I | 33.7 | Very low | 32 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | | | trans | 60.5 | 129.6 | 142.1 | -70.3 | 163.3 | 0 | 0 | 0 | 119.2 | | |
| 234 | C | 29.6 | Very low | 31.7 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | | | cis | -159.3 | 148.4 | 0.3 | -127.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 235 | S | 33.6 | Very low | 31.5 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | trans | 42.6 | 137.3 | 143.6 | 68.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 236 | F | 31.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | | | cis | -143.7 | 127.5 | 20.6 | -108.5 | -88.8 | 0 | 0 | 0 | 112.7 | | |
| 237 | L | 31.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | | | trans | 16.2 | 153.6 | 135.4 | -60.5 | 165.3 | 0 | 0 | 0 | 121.3 | | |
| 238 | C | 30.2 | Very low | 31.2 | Very low | 109 Ų | 109 | 124 Ų | 124 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | | | cis | 179.9 | 153.2 | -23.3 | -117.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 239 | N | 28.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | | | cis | 71.2 | 131.5 | 12.7 | -77.8 | -20.8 | 0 | 0 | 0 | 118.3 | | |
| 240 | Q | 28.9 | Very low | 31.1 | Very low | 164 Ų | 164 | 122 Ų | 122 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | | | cis | -165.9 | -153.7 | -15.4 | -145 | -179.5 | 90.9 | 0 | 0 | 110.3 | | |
| 241 | T | 26.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | | | trans | -71.6 | 145.9 | -167.6 | 47.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 242 | S | 25.7 | Very low | 30.6 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | | | trans | 74.2 | 132.4 | 135.5 | 65.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 243 | L | 28.4 | Very low | 29.9 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | | | trans | 87.4 | 163.5 | 152.5 | -67.2 | 168.9 | 0 | 0 | 0 | 121.6 | | |
| 244 | N | 28.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | | | trans | -120.8 | 166.5 | -141.2 | -84.1 | -49.5 | 0 | 0 | 0 | 116.8 | | |
| 245 | I | 28 | Very low | 29.7 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | | | | 173.5 | 118.6 | 114.1 | -86.8 | 157.2 | 0 | 0 | 0 | 114.7 | | |
| 246 | S | 27.1 | Very low | 29.4 | Very low | 40 Ų | 40 | 115.6 Ų | 115.6 | 28% | 0.28 | 68% | 0.684 | S | S | . | * | | | trans | 67.6 | 176.8 | 158.7 | 70.8 | 0 | 0 | 0 | 0 | 121.1 | S222 | S222-S246 WeakPolarHBondContact CA-OG 3.4Å; S222-S246 WeakPolarHBondContact CB-OG 3.43Å; S222-S246 PolarHBondContact N-OG 3.19Å; S222-S246 PolarHBondContact OG-OG 2.99Å |
| 247 | S | 28.4 | Very low | 29.2 | Very low | 59 Ų | 59 | 111.6 Ų | 111.6 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | | | cis | -149.1 | -179.8 | 8 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | I220 S222 | I220-S247 VanDerWaalsContact CG1-CA 3.46Å; S222-S247 PolarHBondContact OG-OG 2.85Å |
| 248 | L | 34 | Very low | 29 | Very low | 123 Ų | 123 | 108.8 Ų | 108.8 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | | | cis | -141.6 | 144.1 | 14 | -117.8 | 176.4 | 0 | 0 | 0 | 115.5 | I220 | I220-L248 VanDerWaalsContact CG1-CA 3.47Å; I220-L248 HydrophobicContact CG2-CD2 4.1Å |
| 249 | T | 34 | Very low | 28.8 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | | | trans | 50.1 | 155.2 | 171.8 | 44.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 250 | P | 30.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | | | cis | -138.8 | 176.8 | -23.5 | 40.8 | -22.5 | 0 | 0 | 0 | 117.6 | | |
| 251 | S | 29.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | | | trans | 71.4 | 124.8 | 155.6 | 49.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 252 | S | 30.7 | Very low | 29.4 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | | | trans | 49.5 | 123.4 | 157.5 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 253 | S | 30.3 | Very low | 29.6 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | cis | 81.9 | 93 | 35.1 | 85.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 254 | S | 28.4 | Very low | 29.7 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | | | trans | 42.6 | 106.9 | 143.3 | 60.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 255 | S | 30.9 | Very low | 29.8 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | | | | 171.7 | 130.7 | 113.8 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 256 | S | 27.1 | Very low | 29.9 | Very low | 66 Ų | 66 | 99.1 Ų | 99.1 | 46% | 0.462 | 65% | 0.648 | S | S | . | * | | | trans | 32.2 | 144 | 146.3 | 62.8 | 0 | 0 | 0 | 0 | 123.3 | D212 K213 | D212-S256 VanDerWaalsContact O-CA 3.31Å; D212-S256 WeakPolarHBondContact O-CA 3.08Å; K213-S256 WeakPolarHBondContact O-CA 3.35Å |
| 257 | L | 25.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | | | trans | 78.9 | 149.1 | 165.6 | -72.9 | 155.4 | 0 | 0 | 0 | 116.9 | D212 | D212-L257 HydrophobicContact CB-CD2 4.27Å; D212-L257 HydrophobicContact CB-CG 4.14Å; D212-L257 WeakPolarHBondContact OD2-CD2 3.49Å |
| 258 | T | 28.5 | Very low | 30 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 55% | 0.552 | 69% | 0.693 | S | S | * | * | | | trans | 58.3 | 166.6 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 115.7 | K213 | K213-T258 WeakPolarHBondContact CE-O 3.35Å; K213-T258 WeakPolarHBondContact CG-O 3.45Å |
| 259 | S | 26.3 | Very low | 29.7 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 47% | 0.469 | 70% | 0.696 | S | S | . | * | | | cis | -157.9 | 161.1 | -37.3 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 260 | C | 24 | Very low | 29.4 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | | | trans | 61.5 | 154.6 | 154.5 | -64.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 261 | S | 35.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 115 Ų | 115 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | | | trans | -74.2 | 157.2 | 169.3 | -39.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 262 | P | 35.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | | | | -143.8 | 174.4 | 95.2 | 43.1 | -28.7 | 0 | 0 | 0 | 111.8 | | |
| 263 | S | 31.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | | | cis | 76.6 | 131.4 | 28.8 | -162.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 264 | M | 29.3 | Very low | 29.2 | Very low | 170 Ų | 170 | 116 Ų | 116 | 84% | 0.837 | 71% | 0.709 | S | S | * | * | | | trans | -161.8 | 133.7 | -177.4 | -82.9 | -91.5 | 89.1 | 0 | 0 | 106.3 | | |
| 265 | T | 31.1 | Very low | 29.1 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | cis | -160.1 | 150.8 | -6.7 | -51.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 266 | G | 29.9 | Very low | 29.1 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | | | cis | -155.1 | 173.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 267 | R | 27 | Very low | 29.2 | Very low | 238 Ų | 238 | 121.1 Ų | 121.1 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | | | | 60 | 128.6 | 104.8 | -61 | -172.8 | 171.1 | -160.9 | -1.7 | 113.7 | | |
| 268 | I | 29.1 | Very low | 29.4 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | | | | -157.4 | 138 | 56.1 | -82.9 | -177.3 | 0 | 0 | 0 | 111.7 | | |
| 269 | I | 28.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | | | trans | 43.3 | 109.8 | 147.9 | -57.8 | 173.6 | 0 | 0 | 0 | 119 | | |
| 270 | C | 27.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | | | | 59.1 | 128.7 | 101.7 | -43 | 0 | 0 | 0 | 0 | 115.5 | | |
| 271 | D | 29.3 | Very low | 30.1 | Very low | 141 Ų | 141 | 119 Ų | 119 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | | | | -171.2 | 166.5 | 68.7 | -102 | -33.5 | 0 | 0 | 0 | 114.9 | | |
| 272 | T | 31.3 | Very low | 30.1 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 84% | 0.84 | 65% | 0.653 | S | S | * | * | | | trans | 43.3 | 123.9 | 154.7 | 58.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 273 | G | 30.5 | Very low | 29.7 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | | | | 129.4 | 108.2 | 107.5 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 274 | V | 26.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 117 Ų | 117 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | | | | 71.6 | 106.6 | 121.8 | 176.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 275 | T | 26.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | | | trans | 59.7 | 171.2 | 143 | 62.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 276 | Y | 30.4 | Very low | 28.8 | Very low | 176 Ų | 176 | 118.2 Ų | 118.2 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | | | cis | -144.8 | 145.1 | 12.7 | -111.8 | -87.7 | 0 | 0 | 0 | 112.3 | | |
| 277 | V | 29.6 | Very low | 28.6 | Very low | 99 Ų | 99 | 122 Ų | 122 | 60% | 0.6 | 64% | 0.64 | S | S | * | * | | | | 41.1 | 158.6 | 127.4 | 161.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 278 | Q | 28.6 | Very low | 28.6 | Very low | 52 Ų | 52 | 117.9 Ų | 117.9 | 24% | 0.243 | 63% | 0.631 | C | S | . | * | | | cis | 177.8 | -161.2 | -22.9 | -159.4 | -163.6 | -41.9 | 0 | 0 | 106.2 | D481 N508 | Q278-D481 WeakPolarHBondContact CG-OD1 3.18Å; Q278-D481 PolarHBondContact NE2-OD1 2.99Å; Q278-N508 VanDerWaalsContact NE2-N 3.15Å; Q278-N508 PolarHBondContact NE2-OD1 2.87Å; Q278-N508 VanDerWaalsContact OE1-CA 3.3Å |
| 279 | L | 28.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | | | trans | -131.2 | -112.2 | 170.8 | -143.7 | 175 | 0 | 0 | 0 | 114.7 | V482 | L279-V482 HydrophobicContact CB-CG2 3.31Š|
| 280 | P | 35.2 | Very low | 28.1 | Very low | 28 Ų | 28 | 119.2 Ų | 119.2 | 18% | 0.182 | 64% | 0.636 | C | S | . | * | | | cis | -134.1 | -149.5 | 0.4 | 45.9 | -26.6 | 0 | 0 | 0 | 115.9 | N480 D481 | P280-N480 HydrophobicContact CB-CB 4.49Å; P280-N480 WeakPolarHBondContact CG-OD1 3.38Å; P280-D481 HydrophobicContact CB-CB 4.36Å; P280-D481 VanDerWaalsContact CB-CG 3.46Å; P280-D481 WeakPolarHBondContact CB-OD2 3.34Å; P280-D481 WeakPolarHBondContact CG-OD2 3.39Å |
| 281 | Y | 29 | Very low | 28.3 | Very low | 133 Ų | 133 | 119 Ų | 119 | 52% | 0.522 | 63% | 0.634 | S | S | . | * | | | trans | 121.8 | 99.4 | 154.8 | -71.6 | -68.8 | 0 | 0 | 0 | 119.4 | N479 N480 | Y281-N479 HydrophobicContact CD1-CB 4.24Å; Y281-N479 WeakPolarHBondContact CD1-OD1 3.49Å; Y281-N479 HydrophobicContact CE1-CB 4.29Å; Y281-N479 WeakPolarHBondContact CE1-OD1 3.44Å; Y281-N480 WeakPolarHBondContact CD1-OD1 3.48Å; Y281-N480 WeakPolarHBondContact CE1-OD1 3.3Å |
| 282 | P | 36.2 | Very low | 28.2 | Very low | 59 Ų | 59 | 119.9 Ų | 119.9 | 38% | 0.383 | 64% | 0.637 | S | S | . | * | | | trans | -100.6 | -116.9 | 172.1 | 38.3 | -39.7 | 0 | 0 | 0 | 119.2 | N478 N479 N480 | P282-N478 PolarHBondContact O-N 3.47Å; P282-N479 WeakPolarHBondContact CG-O 3.44Å; P282-N480 VanDerWaalsContact CD-CA 3.45Å; P282-N480 VanDerWaalsContact CD-N 3.32Å |
| 283 | Q | 27.2 | Very low | 27.8 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 72% | 0.715 | 64% | 0.636 | S | S | * | * | | | trans | -99.6 | 145 | -140.8 | -66.5 | -177.2 | -21 | 0 | 0 | 119.5 | T477 N478 | Q283-T477 CarbonylContact C-O 3.15Å; Q283-T477 CarbonylContact O-C 3.57Å; Q283-N478 CarbonylContact O-C 3.39Å; Q283-N478 PolarHBondContact O-N 3.04Å |
| 284 | C | 24.5 | Very low | 27.6 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 57% | 0.568 | 64% | 0.639 | S | S | * | * | | | trans | 168.1 | -179.5 | 135.6 | -91.4 | 0 | 0 | 0 | 0 | 113.9 | T477 | C284-T477 WeakPolarHBondContact CA-O 3.37Å; C284-T477 WeakPolarHBondContact CB-O 3.36Å; C284-T477 PolarHBondContact N-O 3.38Å; C284-T477 PolarHBondContact O-N 3.31Å; C284-T477 PolarHBondContact O-OG1 2.75Å |
| 285 | Q | 24.3 | Very low | 27.5 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | | | trans | -64.6 | 177.1 | -169.4 | -60.4 | 150 | -48.3 | 0 | 0 | 114 | T477 | Q285-T477 PolarHBondContact O-OG1 2.85Š|
| 286 | E | 24.9 | Very low | 27.5 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | | | cis | -170.9 | 168.6 | 39.2 | -143.7 | -161.4 | 137.3 | 0 | 0 | 113.6 | | |
| 287 | Q | 26.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 119.7 Ų | 119.7 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | | | trans | 65.5 | 165.9 | 159.8 | -64.6 | 177.8 | 29 | 0 | 0 | 117.3 | | |
| 288 | Q | 25.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 120.4 Ų | 120.4 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | | | cis | -155.2 | 161.7 | -10.6 | -125.1 | 177.8 | 51.5 | 0 | 0 | 111.6 | | |
| 289 | T | 25.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | | | trans | 29.9 | 133.5 | 156.1 | 46.6 | 0 | 0 | 0 | 0 | 125.6 | | |
| 290 | F | 22.5 | Very low | 27.1 | Very low | 196 Ų | 196 | 127 Ų | 127 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | | | trans | -37.2 | 172.7 | 143.8 | -68.8 | -82.8 | 0 | 0 | 0 | 117.3 | | |
| 291 | P | 32 | Very low | 26.9 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | | | cis | -138.7 | -156.2 | -17.4 | 28.9 | -3.2 | 0 | 0 | 0 | 113.7 | | |
| 292 | I | 25.9 | Very low | 27 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | | | trans | 94.4 | 140.5 | 152 | -69.6 | 161.8 | 0 | 0 | 0 | 119.3 | | |
| 293 | L | 24.1 | Very low | 26.5 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | | | trans | -85.5 | 141.6 | 176 | -71.1 | 141.4 | 0 | 0 | 0 | 113 | | |
| 294 | S | 26.1 | Very low | 26.9 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | trans | -159.8 | 121.1 | 138.5 | -67.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 295 | S | 23.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | | 70.1 | 122.8 | 58 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 296 | I | 28.4 | Very low | 27.4 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | 152.8 | 137.9 | 144.6 | -81 | 155.3 | 0 | 0 | 0 | 111 | | |
| 297 | A | 27.9 | Very low | 27.5 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | 61.1 | 125.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 298 | S | 24.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | | 64.8 | 129.9 | 62.5 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 299 | I | 30.1 | Very low | 28.5 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | | -151.4 | 140.3 | 57.2 | -81.6 | 166.7 | 0 | 0 | 0 | 112.1 | | |
| 300 | E | 26.4 | Very low | 28.7 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | 27.1 | 136.3 | 145 | -48.1 | 172.5 | 151.9 | 0 | 0 | 120.8 | | |
| 301 | T | 30.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | | -168.3 | 149.3 | 63.3 | 27 | 0 | 0 | 0 | 0 | 113.5 | | |
| 302 | S | 30.1 | Very low | 29.6 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 41.4 | 123.3 | 155 | 52.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 303 | L | 26.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | cis | 60 | 153.8 | 32.7 | -72.1 | 165.1 | 0 | 0 | 0 | 116.4 | | |
| 304 | P | 35.9 | Very low | 30.1 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -108.9 | -141.2 | -7.4 | 19.3 | 5.9 | 0 | 0 | 0 | 110.9 | | |
| 305 | S | 27.5 | Very low | 30.1 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | | | cis | -164.6 | 156.1 | 7.4 | -26 | 0 | 0 | 0 | 0 | 113.2 | | |
| 306 | Y | 30.3 | Very low | 30.6 | Very low | 226 Ų | 226 | 143 Ų | 143 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | 49.8 | 145.4 | 158.6 | -66.9 | -83.2 | 0 | 0 | 0 | 122 | | |
| 307 | S | 28.7 | Very low | 30.9 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | cis | -174 | 138 | -28.8 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 308 | Q | 27.8 | Very low | 30.9 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | 54 | 132.8 | 144 | -65.5 | -175 | -15.8 | 0 | 0 | 123.2 | | |
| 309 | P | 43.6 | Very low | 30.9 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -108.4 | 173.9 | 163.7 | 41.3 | -33.6 | 0 | 0 | 0 | 113.6 | | |
| 310 | P | 29.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 141 Ų | 141 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | | | trans | -132.1 | 175.7 | 148.6 | 36.5 | -22.8 | 0 | 0 | 0 | 116 | | |
| 311 | K | 27.3 | Very low | 30.7 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -80.9 | 163.6 | -159.6 | -66 | 173.9 | 178.7 | 178.5 | 0 | 116.8 | | |
| 312 | P | 46.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -81.1 | 174.1 | 168.3 | 37 | -39 | 0 | 0 | 0 | 113 | | |
| 313 | P | 30.5 | Very low | 30.3 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | | | | -155 | 172.4 | 123.4 | 42.1 | -25.7 | 0 | 0 | 0 | 119 | | |
| 314 | H | 29 | Very low | 30.3 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | 78.7 | 162.1 | 152 | -66.7 | -47.8 | 0 | 0 | 0 | 123.5 | | |
| 315 | R | 27.6 | Very low | 29.9 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -112.3 | 158.7 | -176.2 | -80.2 | 177.4 | 163.2 | -179.7 | -5.9 | 110.7 | | |
| 316 | H | 33.7 | Very low | 30 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | trans | 5.4 | 140.6 | 152.1 | -60.8 | -69.4 | 0 | 0 | 0 | 119.5 | | |
| 317 | P | 33.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | | -134.9 | -126.6 | 50.7 | 38.8 | -19.4 | 0 | 0 | 0 | 116.2 | | |
| 318 | V | 28 | Very low | 30.1 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -132.2 | 137.3 | -146.5 | -168.6 | 0 | 0 | 0 | 0 | 113 | | |
| 319 | L | 25 | Very low | 30.3 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 59% | 0.586 | 76% | 0.757 | S | S | * | * | | | | 162.2 | 163.3 | 128.7 | -86.8 | 174.2 | 0 | 0 | 0 | 114 | L350 | L319-L350 HydrophobicContact CD2-CD1 3.71Š|
| 320 | S | 26.6 | Very low | 29.9 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | -3.7 | 129.9 | 172.6 | 50.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 321 | M | 26.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | | 85.1 | 134.6 | 52.6 | -92.5 | -72 | 175.6 | 0 | 0 | 116.3 | | |
| 322 | L | 24.9 | Very low | 30.4 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | 68.3 | 147.9 | 171.3 | -59.7 | 174.4 | 0 | 0 | 0 | 116.1 | | |
| 323 | S | 26 | Very low | 29.6 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | cis | -157.1 | 160.9 | -9.3 | 37.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 324 | E | 27.6 | Very low | 29.6 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | | | | 161.2 | 158.5 | 94.8 | -86.7 | -149.4 | -170.2 | 0 | 0 | 108.8 | | |
| 325 | R | 27.1 | Very low | 29.5 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | cis | -168.7 | 170.9 | -15.3 | -172.3 | -165 | -69.2 | -124.4 | 0.6 | 106.9 | | |
| 326 | I | 29.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | 78.2 | 117 | 166.3 | -49.7 | 171.8 | 0 | 0 | 0 | 113.1 | | |
| 327 | C | 29.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | cis | -158.4 | -172.6 | -3.8 | -125.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 328 | S | 32.2 | Very low | 29 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | | | cis | -153.7 | -145.3 | 8.1 | -132.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 329 | E | 32.8 | Very low | 28.9 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -51.5 | 155.2 | 174 | -54 | 94.4 | -95 | 0 | 0 | 116.2 | | |
| 330 | G | 34.7 | Very low | 29.1 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | cis | 168.3 | 158.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 331 | E | 32.8 | Very low | 29.1 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | 54.6 | 149.5 | 162 | -60.5 | 177.2 | -174 | 0 | 0 | 119.4 | | |
| 332 | S | 33.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | cis | -169.3 | 165.7 | -22.5 | 55.5 | 0 | 0 | 0 | 0 | 108 | | |
| 333 | C | 30.7 | Very low | 29.5 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | cis | -163.6 | 169 | -31.5 | -94.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 334 | D | 29.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | 64.4 | 141.8 | 151 | -65.2 | -35.3 | 0 | 0 | 0 | 122.1 | | |
| 335 | C | 28.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 64% | 0.635 | 76% | 0.755 | S | S | * | * | | | cis | -163.5 | 173.3 | -10.5 | -130.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 336 | F | 29.1 | Very low | 29.9 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | | | trans | 57.5 | 95.5 | 156.3 | -81.9 | -73.7 | 0 | 0 | 0 | 125.1 | | |
| 337 | L | 28.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | 7.7 | 151.4 | 132.8 | -68.4 | 171.2 | 0 | 0 | 0 | 124.3 | | |
| 338 | L | 26.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | | | trans | -74.1 | 145.9 | 165.7 | -80.4 | 161 | 0 | 0 | 0 | 115.7 | | |
| 339 | R | 25.7 | Very low | 29.4 | Very low | 217 Ų | 217 | 146.4 Ų | 146.4 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | | | trans | 67.2 | 105.8 | 137.8 | -170.9 | -159.8 | -61.8 | -179 | 0.2 | 119.8 | | |
| 340 | K | 28.4 | Very low | 29.1 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | -169.3 | 153.5 | 131 | -101.1 | 159.2 | -174.6 | 176 | 0 | 108.4 | | |
| 341 | N | 27.8 | Very low | 28.9 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | cis | 62.4 | 64.7 | 22.4 | -72.7 | 32.2 | 0 | 0 | 0 | 115.3 | | |
| 342 | D | 27.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | | | trans | -45.7 | 143.5 | 134.6 | -75.4 | -43.3 | 0 | 0 | 0 | 110.5 | | |
| 343 | I | 30.8 | Very low | 28.5 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | cis | -126 | 139.8 | -3.2 | -68.5 | 99.2 | 0 | 0 | 0 | 105 | | |
| 344 | S | 28.9 | Very low | 28.6 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | | -156.1 | 160.8 | 50.3 | -162.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 345 | S | 30.2 | Very low | 28.4 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 20.3 | 95.5 | 150.4 | 57 | 0 | 0 | 0 | 0 | 118.1 | | |
| 346 | K | 31.2 | Very low | 28.5 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | | 69 | 109.8 | 82.9 | -75.6 | -168.9 | 174.3 | -178.4 | 0 | 116.3 | | |
| 347 | Q | 24.3 | Very low | 28.3 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -114.2 | 153.1 | 140.3 | -84.6 | -177.7 | -10.6 | 0 | 0 | 106.4 | | |
| 348 | A | 25.7 | Very low | 28.2 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | cis | -153.9 | 166.6 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 349 | I | 29.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -132.4 | 141.4 | 152.5 | -64.7 | -176.9 | 0 | 0 | 0 | 106.8 | | |
| 350 | L | 26.6 | Very low | 28.4 | Very low | 115 Ų | 115 | 149 Ų | 149 | 60% | 0.602 | 77% | 0.767 | S | S | * | * | | | trans | -101.8 | 139.7 | 175.3 | -70.6 | 152.2 | 0 | 0 | 0 | 109.3 | L319 | L319-L350 HydrophobicContact CD2-CD1 3.71Š|
| 351 | T | 31.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | | -178.6 | 129 | 113.4 | 31.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 352 | N | 29.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | | | trans | 40.8 | 106.9 | 138.2 | -51.9 | 18.5 | 0 | 0 | 0 | 120.6 | | |
| 353 | D | 28.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 46.9 | 117.1 | 113.8 | -45.2 | -30.5 | 0 | 0 | 0 | 120.4 | | |
| 354 | N | 32.2 | Very low | 29.1 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | | | | -153.6 | 157.5 | 123.9 | -107.9 | -67.4 | 0 | 0 | 0 | 111.1 | | |
| 355 | E | 27.6 | Very low | 29.1 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | -69.9 | 142.3 | -171.7 | -59.6 | 179.6 | 95.5 | 0 | 0 | 113.7 | | |
| 356 | F | 29 | Very low | 29 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 97% | 0.969 | 76% | 0.764 | S | S | * | * | | | trans | -141.3 | 146.9 | 139.6 | -120.8 | -84.2 | 0 | 0 | 0 | 110.9 | | |
| 357 | R | 26.1 | Very low | 28.7 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | trans | -121.4 | 155.2 | -157.9 | -133.4 | -178.1 | 82.1 | -172 | 5.3 | 112.8 | | |
| 358 | M | 26.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 143 Ų | 143 | 60% | 0.596 | 75% | 0.75 | S | S | * | * | | | trans | 85.4 | 107 | 152.7 | -53.6 | -117 | -72.8 | 0 | 0 | 120.3 | | |
| 359 | N | 26.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | | 79.1 | 155.7 | 119.1 | -67.8 | -2.5 | 0 | 0 | 0 | 122.6 | | |
| 360 | L | 29.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 145 Ų | 145 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | 68.8 | 107.6 | 160 | -70.3 | 153.8 | 0 | 0 | 0 | 114.9 | | |
| 361 | T | 32.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | | -163.6 | 157 | 51.5 | 15.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 362 | N | 33.9 | Very low | 28.4 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | | | trans | 72.6 | 102.7 | 141.6 | -65.6 | 2.2 | 0 | 0 | 0 | 122.7 | | |
| 363 | H | 33.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 105.3 | 97.9 | 133.1 | -73.7 | -58.8 | 0 | 0 | 0 | 121.8 | | |
| 364 | C | 28.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 70 | 110.8 | 132.4 | -62.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 365 | G | 28.3 | Very low | 28.5 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | -119.5 | -137.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 366 | L | 28.7 | Very low | 28.9 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 90.7 | 97.4 | 176.5 | -54.6 | -176.7 | 0 | 0 | 0 | 117.5 | | |
| 367 | E | 25 | Very low | 29 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | | 68.2 | 147.3 | 105.7 | -74.4 | -174.5 | 161.5 | 0 | 0 | 124.8 | | |
| 368 | Y | 27.1 | Very low | 29.3 | Very low | 203 Ų | 203 | 133 Ų | 133 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | 76.1 | 162.8 | 148.3 | -80.4 | -59.1 | 0 | 0 | 0 | 122 | | |
| 369 | E | 25.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -97.5 | 179.1 | -163.9 | -52.2 | -179.4 | 113.2 | 0 | 0 | 113.3 | | |
| 370 | L | 25 | Very low | 29.6 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | trans | 80.4 | 127.6 | 152.4 | -67.9 | 171.9 | 0 | 0 | 0 | 120.5 | | |
| 371 | Y | 26 | Very low | 29.8 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | 70.9 | 147.3 | 155.9 | -76.2 | -69.7 | 0 | 0 | 0 | 121.7 | | |
| 372 | S | 27.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | 62.2 | 126 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 373 | T | 28.5 | Very low | 29.8 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | cis | 65.2 | 135.2 | 42.1 | 81.8 | 0 | 0 | 0 | 0 | 114 | | |
| 374 | Q | 30.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | cis | -157.9 | 154.5 | -12.1 | -125 | 170.9 | 3.2 | 0 | 0 | 111.3 | | |
| 375 | T | 32.2 | Very low | 29.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | 5.4 | 141.5 | 155.3 | 56.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 376 | P | 34.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | S | Bend | | -130.3 | 153.2 | 106.9 | 37.2 | -31.3 | 0 | 0 | 0 | 112.6 | | |
| 377 | A | 32.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -153.3 | 156.1 | -11.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 378 | G | 31.4 | Very low | 29.5 | Very low | 55 Ų | 55 | 136.6 Ų | 136.6 | 57% | 0.567 | 75% | 0.751 | S | S | * | * | | | cis | 179.3 | -179.1 | -4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 379 | F | 30.9 | Very low | 29.7 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | | | trans | 62.1 | 113.5 | 172.4 | -60.1 | -88.5 | 0 | 0 | 0 | 117.1 | | |
| 380 | R | 29 | Very low | 30.1 | Very low | 223 Ų | 223 | 132.8 Ų | 132.8 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | | 77.1 | 152.4 | 61.7 | -86.8 | -167.5 | 159.2 | -158.2 | -2.8 | 114 | | |
| 381 | P | 33.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | cis | -134.5 | -167.7 | -21.3 | 36.6 | -15.7 | 0 | 0 | 0 | 112.7 | | |
| 382 | P | 40.2 | Very low | 30.9 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | trans | -121.5 | -154 | -172.4 | 42.7 | -29.6 | 0 | 0 | 0 | 114.8 | | |
| 383 | T | 26.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | trans | 83.2 | 124.8 | 155.8 | 41.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 384 | N | 26 | Very low | 31 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | 84.5 | 148.8 | 132.5 | -66.9 | -4.5 | 0 | 0 | 0 | 123.9 | | |
| 385 | T | 28.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 65.1 | 94 | 149.3 | 42.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 386 | S | 27.2 | Very low | 31.2 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | | 47.4 | 150.9 | 112.7 | 62.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 387 | S | 27.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 72.9 | 109.2 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 388 | I | 27.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | | | | 70 | 102.8 | 74.1 | -62.1 | 159.1 | 0 | 0 | 0 | 111.9 | | |
| 389 | I | 31.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 139 Ų | 139 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -168.7 | 140.7 | 136.5 | -104.4 | 159.4 | 0 | 0 | 0 | 111.2 | | |
| 390 | T | 33.7 | Very low | 31.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | 27.9 | 117.5 | 167.5 | 58.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 391 | K | 28.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | trans | -81.6 | 156.5 | 144.2 | -58.1 | 175.4 | -179.5 | -178.8 | 0 | 110 | T393 | K391-T393 HydrophobicContact CB-CG2 4.02Å; K391-T393 HydrophobicContact CD-CG2 3.81Å |
| 392 | P | 40.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | trans | -80.8 | 119.1 | 143.5 | 31.9 | -27.3 | 0 | 0 | 0 | 109.6 | | |
| 393 | T | 25.8 | Very low | 30.5 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 57% | 0.571 | 74% | 0.744 | S | S | * | * | | | trans | -119.8 | 135.6 | 173.9 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | K391 | K391-T393 HydrophobicContact CB-CG2 4.02Å; K391-T393 HydrophobicContact CD-CG2 3.81Å |
| 394 | F | 32.3 | Very low | 30.6 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | | | trans | -154.9 | 108.3 | 146.6 | -95.2 | -83.4 | 0 | 0 | 0 | 105.6 | | |
| 395 | N | 32.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 132 Ų | 132 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | | 94.8 | 141.6 | 79.2 | -96.9 | 1.1 | 0 | 0 | 0 | 110.8 | | |
| 396 | T | 34.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | cis | -142.9 | 158.4 | 10.5 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 397 | K | 33.9 | Very low | 31 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | | | cis | -162.1 | 136.6 | -9.3 | -106.7 | 176.4 | 177.5 | -179.2 | 0 | 107.4 | | |
| 398 | Q | 33.5 | Very low | 31.2 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | | 59.8 | 132.6 | 108.2 | -59.9 | 177.2 | -35.7 | 0 | 0 | 114.9 | | |
| 399 | T | 32.3 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | cis | -149.5 | 169.5 | 25.9 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 400 | S | 31.1 | Very low | 31.4 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | 178 | 168.4 | -28.9 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 401 | V | 31.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | trans | 72.3 | 138.7 | 154.8 | 166 | 0 | 0 | 0 | 0 | 118.8 | | |
| 402 | S | 27.7 | Very low | 31.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | cis | -167 | 168.1 | -26.4 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 403 | I | 26.3 | Very low | 31.1 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | | | trans | -123.1 | 131 | 162.1 | -59.3 | 168.2 | 0 | 0 | 0 | 108 | | |
| 404 | T | 28.8 | Very low | 31.6 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | | | trans | -166.1 | 155.5 | 145.9 | 14.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 405 | S | 27.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | -98.7 | -150.1 | 178.2 | -39.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 406 | P | 38.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -148.6 | -177.4 | 25.3 | 45.4 | -23.9 | 0 | 0 | 0 | 118.9 | | |
| 407 | L | 25.1 | Very low | 31.7 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | 56.6 | 131.6 | 146.7 | -75.9 | 157.5 | 0 | 0 | 0 | 119.4 | | |
| 408 | V | 32 | Very low | 31.5 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | | -174.5 | 137 | 72.8 | 159.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 409 | H | 31.2 | Very low | 31.9 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 64.2 | 156.4 | 161.6 | -74 | -22.4 | 0 | 0 | 0 | 119.4 | | |
| 410 | R | 31.1 | Very low | 32.4 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 75% | 0.751 | 75% | 0.749 | S | S | * | * | | | cis | -153.2 | 146 | 0.3 | -123.5 | 170.8 | -170.3 | -158.6 | 2.7 | 111.8 | | |
| 411 | L | 33.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | trans | 71.1 | 127.1 | 147.8 | -65.6 | 160.5 | 0 | 0 | 0 | 123.1 | | |
| 412 | N | 33.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | 78.9 | 96.8 | 134.9 | -62.8 | -0.6 | 0 | 0 | 0 | 123.2 | | |
| 413 | R | 30.8 | Very low | 32.5 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | | 1.2 | 162.8 | 108.9 | -96.7 | -168.2 | 171.7 | -161.9 | -0.4 | 118.7 | | |
| 414 | P | 36.2 | Very low | 32.7 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | | | cis | -141.9 | -170.3 | -12 | 36 | -13.4 | 0 | 0 | 0 | 115.3 | | |
| 415 | A | 30.9 | Very low | 32.8 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | -80.5 | -166.5 | 153 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 416 | P | 40.6 | Very low | 33 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | cis | -140.8 | -163.1 | 4.4 | 44.7 | -24 | 0 | 0 | 0 | 115.3 | | |
| 417 | A | 29 | Very low | 32.7 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | trans | 28.6 | 153.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 418 | V | 31.3 | Very low | 33 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | | | | -163.3 | 153.7 | 53.6 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 419 | P | 41.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -94.1 | -144.1 | 176.1 | 42.6 | -39.8 | 0 | 0 | 0 | 111.5 | | |
| 420 | P | 41.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | cis | -137.4 | -169.2 | -16.2 | 42.2 | -23.2 | 0 | 0 | 0 | 116 | | |
| 421 | A | 28.3 | Very low | 32.6 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | 73.9 | 160.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 422 | L | 32.7 | Very low | 32.4 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | cis | -141 | 154.7 | 20 | -77.4 | 160.5 | 0 | 0 | 0 | 113.8 | | |
| 423 | H | 31.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | | | trans | 57.4 | 128.5 | 148.7 | -82.8 | -114 | 0 | 0 | 0 | 120.1 | | |
| 424 | H | 31.2 | Very low | 32 | Very low | 150 Ų | 150 | 123 Ų | 123 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | | | | 58 | 133.2 | 84.3 | -70.8 | 13 | 0 | 0 | 0 | 113.3 | | |
| 425 | Q | 30.5 | Very low | 31.7 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 64% | 0.64 | 74% | 0.737 | S | S | * | * | | | cis | -165.8 | 172.3 | 15.3 | -131.4 | 169.5 | -0.5 | 0 | 0 | 112.4 | | |
| 426 | Y | 31.4 | Very low | 31.5 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | 60.1 | 115.1 | 157.5 | -69.9 | -64.2 | 0 | 0 | 0 | 123.9 | | |
| 427 | H | 32.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | | | trans | 70.6 | 108.5 | 130.4 | -83.1 | -144.7 | 0 | 0 | 0 | 124.4 | | |
| 428 | H | 30.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 63% | 0.625 | 74% | 0.739 | S | S | * | * | | | | 57.6 | 105.9 | 125.3 | -81 | -60.2 | 0 | 0 | 0 | 123.6 | | |
| 429 | C | 26.6 | Very low | 31 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | | | | 76 | 119.7 | 116.5 | -153.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 430 | G | 29.7 | Very low | 30.6 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | | | trans | 173.6 | 62.2 | 171 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 431 | T | 30 | Very low | 30.2 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | 38.7 | 129.7 | 149.3 | 54.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 432 | S | 29.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | 73 | 116.9 | 138.7 | 58.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 433 | S | 29.3 | Very low | 31.7 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | trans | 73.4 | 117 | 134.6 | 61.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 434 | L | 27.3 | Very low | 31.6 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | 65.2 | 107.8 | 138.9 | -62.5 | 170.9 | 0 | 0 | 0 | 119.5 | | |
| 435 | L | 29.2 | Very low | 31.7 | Very low | 167 Ų | 167 | 130 Ų | 130 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | | -153.7 | 150.3 | 103.9 | -109.1 | 167.9 | 0 | 0 | 0 | 111.7 | | |
| 436 | Q | 27.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -78.4 | 159.8 | 162.2 | -58.7 | 150.9 | -53.9 | 0 | 0 | 107.1 | | |
| 437 | T | 28.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | | -174.2 | 175.2 | 56.2 | 33.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 438 | S | 28.8 | Very low | 31.8 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | cis | -167.2 | 161 | -20.6 | 48.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 439 | L | 32.8 | Very low | 31.6 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -174.8 | 143.2 | 139.1 | -100.9 | 160.7 | 0 | 0 | 0 | 112.8 | | |
| 440 | S | 32.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | | | trans | -33.9 | 161.2 | 166.6 | 53.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 441 | L | 34.6 | Very low | 31.5 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | cis | -157.8 | 170.8 | -13 | -126.6 | 88.7 | 0 | 0 | 0 | 107.9 | | |
| 442 | P | 47.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | | | trans | -95.3 | -160.3 | -170.7 | 45.1 | -40.7 | 0 | 0 | 0 | 111.4 | | |
| 443 | P | 44.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | cis | -144.9 | 155.8 | 11.1 | 41.5 | -20.4 | 0 | 0 | 0 | 120.6 | | |
| 444 | L | 30.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | | | | -166.9 | 153 | 96.3 | -94.7 | 162 | 0 | 0 | 0 | 110.9 | | |
| 445 | A | 32.8 | Very low | 31.5 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | trans | -76.9 | 143.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 446 | Q | 30.8 | Very low | 31.5 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | cis | 86.9 | 137.7 | 37.4 | -75.4 | -113 | -18.9 | 0 | 0 | 115.2 | | |
| 447 | P | 39.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | | | | -149 | 174.4 | -123.4 | 46.2 | -26.5 | 0 | 0 | 0 | 118.3 | | |
| 448 | S | 25.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | trans | 17 | 151.2 | 138.7 | 75.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 449 | I | 27.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | 81.1 | 137.6 | 132.6 | -84.1 | 165 | 0 | 0 | 0 | 118.4 | | |
| 450 | V | 28.7 | Very low | 31.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | | | cis | -170.6 | 156.5 | -11.8 | 84.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 451 | N | 26.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | trans | 62.6 | 151.8 | 149.4 | -68.3 | -19.3 | 0 | 0 | 0 | 127.3 | | |
| 452 | A | 30.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 86.9 | 132.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 453 | T | 27.6 | Very low | 29.6 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | cis | -163 | 151.2 | -8.9 | 8.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 454 | E | 29.1 | Very low | 29 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | trans | 64.4 | 154.1 | 167.5 | -60.1 | -143.3 | 125 | 0 | 0 | 117.7 | | |
| 455 | K | 27.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 64% | 0.635 | 71% | 0.708 | S | S | * | * | | | cis | -154.4 | 142.1 | -3.3 | -128.1 | 177 | 178.9 | 82.3 | 0 | 110 | | |
| 456 | I | 28.1 | Very low | 28.8 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | trans | 51.9 | 114.1 | 152.2 | -58.9 | 165.1 | 0 | 0 | 0 | 120.9 | | |
| 457 | N | 28 | Very low | 28.8 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | | | trans | 28.2 | 116.7 | 145 | -58 | -7.9 | 0 | 0 | 0 | 122.3 | | |
| 458 | R | 27.2 | Very low | 28.2 | Very low | 259 Ų | 259 | 133 Ų | 133 | 98% | 0.977 | 70% | 0.699 | S | S | * | * | | | | -159.1 | 174.7 | 122 | -115.5 | 179.1 | -170 | -145.6 | 2.1 | 112.8 | | |
| 459 | S | 26.1 | Very low | 28.5 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | | | trans | -108.4 | 150.9 | -165.3 | 55 | 0 | 0 | 0 | 0 | 114.6 | | |
| 460 | L | 27.5 | Very low | 28.5 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | | | trans | 64.6 | 128.4 | 151.7 | -95.8 | 84.9 | 0 | 0 | 0 | 120.4 | | |
| 461 | V | 27.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | | | | 53.2 | 125.9 | 122.2 | 169.9 | 0 | 0 | 0 | 0 | 118 | | |
| 462 | M | 27.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | cis | -163.7 | 171.1 | 4.4 | -105.6 | -77.9 | -125 | 0 | 0 | 110.2 | | |
| 463 | N | 29.9 | Very low | 28.7 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 43% | 0.433 | 70% | 0.699 | S | S | . | * | | | trans | 10 | 147.3 | 152.4 | -55.7 | -10.7 | 0 | 0 | 0 | 120.2 | N545 | N463-N545 PolarHBondContact O-OD1 3.24Š|
| 464 | N | 30.6 | Very low | 28.8 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 36% | 0.358 | 70% | 0.698 | S | S | . | * | | | cis | -137.3 | 152.1 | 23.5 | -62.7 | -84.4 | 0 | 0 | 0 | 109.9 | N545 | N464-N545 WeakPolarHBondContact CB-OD1 3.22Å; N464-N545 PolarHBondContact N-ND2 2.95Å; N464-N545 VanDerWaalsContact N-ND2 3.16Å; N464-N545 PolarHBondContact N-OD1 2.84Å; N464-N545 PolarHBondContact ND2-OD1 3.42Å; N464-N545 VanDerWaalsContact ND2-OD1 3.1Å; N464-N545 PolarHBondContact O-ND2 2.89Å |
| 465 | L | 28.7 | Very low | 28.8 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | | | cis | 85.3 | 111.3 | 37.2 | -171.3 | 152.8 | 0 | 0 | 0 | 113.9 | | |
| 466 | Q | 30.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 55% | 0.551 | 69% | 0.693 | S | S | * | * | | | trans | -172.1 | 112.8 | 143.2 | -102.8 | -175.9 | 22.7 | 0 | 0 | 112.9 | M468 | Q466-M468 HydrophobicContact CG-CE 4.34Å; Q466-M468 HydrophobicContact CG-CG 3.96Å; Q466-M468 HydrophobicContact CG-SD 4.23Å |
| 467 | Q | 31.7 | Very low | 29.1 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 95% | 0.953 | 68% | 0.676 | S | S | * | * | | | | -123.9 | 118 | 126.5 | -88.1 | -164.4 | 2.1 | 0 | 0 | 106.5 | | |
| 468 | M | 25.4 | Very low | 29.2 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 56% | 0.562 | 66% | 0.66 | S | S | * | * | | | trans | -100.3 | 151.6 | 173 | -61.2 | 178.1 | -64 | 0 | 0 | 109.2 | Q466 | Q466-M468 HydrophobicContact CG-CE 4.34Å; Q466-M468 HydrophobicContact CG-CG 3.96Å; Q466-M468 HydrophobicContact CG-SD 4.23Å |
| 469 | N | 32 | Very low | 29.4 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | | | | -170.4 | 130.3 | 106.3 | -88.9 | -35.7 | 0 | 0 | 0 | 108.3 | | |
| 470 | L | 27 | Very low | 29.8 | Very low | 130 Ų | 130 | 118 Ų | 118 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | | | | 49.2 | 104.5 | 84.3 | -78.7 | 148.8 | 0 | 0 | 0 | 109.6 | | |
| 471 | S | 30.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 112 Ų | 112 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | | | | 170.9 | 170.9 | 60.7 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 472 | K | 31.9 | Very low | 30.6 | Very low | 171 Ų | 171 | 109.5 Ų | 109.5 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | | | cis | -164.8 | 163.1 | -7.9 | -117.3 | 171.2 | -177.9 | 174.6 | 0 | 108.2 | | |
| 473 | L | 28 | Very low | 31.1 | Very low | 132 Ų | 132 | 108.8 Ų | 108.8 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | | | trans | 47 | 124.9 | 150.1 | -92.8 | 66.1 | 0 | 0 | 0 | 122.1 | | |
| 474 | K | 29.6 | Very low | 31.4 | Very low | 176 Ų | 176 | 110.3 Ų | 110.3 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | | | trans | 65.5 | 161.9 | 132.5 | -68 | -174.3 | 173.3 | -172.5 | 0 | 117.3 | | |
| 475 | T | 30.7 | Very low | 31.3 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | | | cis | -152.5 | 128.1 | 25 | -35.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 476 | I | 29.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | | | trans | 48 | 126 | 139.4 | -59 | 176.2 | 0 | 0 | 0 | 117.7 | | |
| 477 | T | 31 | Very low | 31.3 | Very low | 58 Ų | 58 | 115.2 Ų | 115.2 | 36% | 0.356 | 58% | 0.584 | S | S | . | * | | | | -152 | 97.5 | 89 | 22.2 | 0 | 0 | 0 | 0 | 117.3 | Q283 C284 Q285 | Q283-T477 CarbonylContact C-O 3.15Å; Q283-T477 CarbonylContact O-C 3.57Å; C284-T477 WeakPolarHBondContact CA-O 3.37Å; C284-T477 WeakPolarHBondContact CB-O 3.36Å; C284-T477 PolarHBondContact N-O 3.38Å; C284-T477 PolarHBondContact O-N 3.31Å; C284-T477 PolarHBondContact O-OG1 2.75Å; Q285-T477 PolarHBondContact O-OG1 2.85Å |
| 478 | N | 31.2 | Very low | 31.3 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | | | | 124.9 | 110.6 | 129.6 | -59.9 | -13.6 | 0 | 0 | 0 | 121.8 | P282 Q283 | P282-N478 PolarHBondContact O-N 3.47Å; Q283-N478 CarbonylContact O-C 3.39Å; Q283-N478 PolarHBondContact O-N 3.04Å |
| 479 | N | 31.2 | Very low | 31.5 | Very low | 90 Ų | 90 | 114 Ų | 114 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | | | trans | 74.8 | 132.6 | 139.7 | -41.8 | 2.1 | 0 | 0 | 0 | 120.2 | Y281 P282 | Y281-N479 HydrophobicContact CD1-CB 4.24Å; Y281-N479 WeakPolarHBondContact CD1-OD1 3.49Å; Y281-N479 HydrophobicContact CE1-CB 4.29Å; Y281-N479 WeakPolarHBondContact CE1-OD1 3.44Å; P282-N479 WeakPolarHBondContact CG-O 3.44Å |
| 480 | N | 34.3 | Very low | 31.2 | Very low | 34 Ų | 34 | 114.3 Ų | 114.3 | 18% | 0.182 | 58% | 0.576 | C | S | . | * | | | cis | -154.3 | 168.1 | -7.8 | -105.1 | 13.6 | 0 | 0 | 0 | 113.9 | P280 Y281 P282 H506 V507 | P280-N480 HydrophobicContact CB-CB 4.49Å; P280-N480 WeakPolarHBondContact CG-OD1 3.38Å; Y281-N480 WeakPolarHBondContact CD1-OD1 3.48Å; Y281-N480 WeakPolarHBondContact CE1-OD1 3.3Å; P282-N480 VanDerWaalsContact CD-CA 3.45Å; P282-N480 VanDerWaalsContact CD-N 3.32Å; N480-H506 PolarHBondContact O-CE1 3.17Å; N480-V507 HydrophobicContact CB-CG1 4.32Å |
| 481 | D | 33.9 | Very low | 31.3 | Very low | 30 Ų | 30 | 114.8 Ų | 114.8 | 16% | 0.16 | 58% | 0.579 | C | S | . | * | | | trans | 36.5 | 149.6 | 158.2 | -68.9 | -87.5 | 0 | 0 | 0 | 125.1 | Q278 P280 H506 V507 | Q278-D481 WeakPolarHBondContact CG-OD1 3.18Å; Q278-D481 PolarHBondContact NE2-OD1 2.99Å; P280-D481 HydrophobicContact CB-CB 4.36Å; P280-D481 VanDerWaalsContact CB-CG 3.46Å; P280-D481 WeakPolarHBondContact CB-OD2 3.34Å; P280-D481 WeakPolarHBondContact CG-OD2 3.39Å; D481-H506 WeakPolarHBondContact CB-NE2 3.41Å; D481-H506 PolarHBondContact O-NE2 3.44Å; D481-V507 VanDerWaalsContact OD2-CG1 3.28Å; D481-V507 WeakPolarHBondContact OD2-CG1 3.29Å |
| 482 | V | 37.8 | Very low | 31.2 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | | | cis | -178.7 | 146.2 | -25.7 | 117 | 0 | 0 | 0 | 0 | 113.2 | L279 | L279-V482 HydrophobicContact CB-CG2 3.31Š|
| 483 | H | 37.9 | Very low | 31 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 55% | 0.546 | 58% | 0.575 | S | S | . | * | | | trans | 42.9 | 163.6 | 154.1 | -73.4 | -43.1 | 0 | 0 | 0 | 124.6 | | |
| 484 | N | 35.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 60% | 0.599 | 58% | 0.576 | S | S | * | * | | | cis | -163.7 | 171.8 | -25.8 | -168.2 | 33.5 | 0 | 0 | 0 | 110.3 | | |
| 485 | E | 29.6 | Very low | 31 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | | | trans | -72.9 | 172.6 | 172.4 | -57.8 | 164.7 | -163.8 | 0 | 0 | 112.8 | N553 | E485-N553 WeakPolarHBondContact CG-ND2 3.41Å; E485-N553 PolarHBondContact OE1-ND2 2.99Å |
| 486 | N | 29.6 | Very low | 31 | Very low | 119 Ų | 119 | 113 Ų | 113 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | | | cis | -171.9 | 155 | 39.2 | -126.6 | -61.6 | 0 | 0 | 0 | 111.2 | | |
| 487 | Y | 30 | Very low | 31 | Very low | 214 Ų | 214 | 111.5 Ų | 111.5 | 84% | 0.839 | 56% | 0.557 | S | S | * | * | | | trans | 169.4 | 132.1 | 135.9 | -102.5 | -63.3 | 0 | 0 | 0 | 117.5 | | |
| 488 | K | 30.9 | Very low | 31 | Very low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | | | trans | 63.9 | 123.6 | 140.3 | -97.8 | 171.6 | 171.3 | -75.7 | 0 | 124.7 | | |
| 489 | E | 29.8 | Very low | 31 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | | | | 73.2 | 152.8 | 128.7 | -80.2 | 163.8 | -179.6 | 0 | 0 | 123.5 | | |
| 490 | N | 25.6 | Very low | 31 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | | | trans | -76 | 145.7 | -175.5 | -40.2 | -68.3 | 0 | 0 | 0 | 112.4 | | |
| 491 | N | 29.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | | | | 172.1 | 137.6 | 109.6 | -88.9 | -44.6 | 0 | 0 | 0 | 114.7 | | |
| 492 | I | 28 | Very low | 30.9 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | | | trans | 32.4 | 131 | 133.9 | -54.3 | 175.3 | 0 | 0 | 0 | 120.3 | | |
| 493 | N | 27.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | | | trans | 88.9 | 109.8 | 156.4 | -81.6 | -17.1 | 0 | 0 | 0 | 122.4 | | |
| 494 | L | 30.3 | Very low | 30.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | | | | 68 | 107 | 125.4 | -72.1 | 167.1 | 0 | 0 | 0 | 122.3 | | |
| 495 | N | 27.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | | | | 69.9 | 153.5 | 128.3 | -82.8 | -11.9 | 0 | 0 | 0 | 122 | | |
| 496 | R | 31.2 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 43% | 0.426 | 70% | 0.695 | S | S | . | * | | | trans | 70.8 | 117.7 | 174.3 | -70.8 | -169.5 | 177.6 | 104.1 | 6.8 | 118 | N612 N613 | R496-N612 WeakPolarHBondContact CD-OD1 3.06Å; R496-N612 PolarHBondContact NE-OD1 3.31Å; R496-N612 PolarHBondContact NH1-OD1 3.39Å; R496-N613 PolarHBondContact NH1-OD1 3.09Å |
| 497 | N | 29.8 | Very low | 31.2 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 42% | 0.417 | 69% | 0.689 | S | S | . | * | | | trans | 67.4 | 84.8 | 131.1 | -54.7 | -3.7 | 0 | 0 | 0 | 118.3 | N610 I611 | N497-N610 VanDerWaalsContact ND2-CG 3.29Å; N497-N610 PolarHBondContact ND2-ND2 3.21Å; N497-N610 PolarHBondContact ND2-OD1 3.04Å; N497-I611 WeakPolarHBondContact ND2-CD1 3.48Å; N497-I611 VanDerWaalsContact OD1-CD1 3.32Å; N497-I611 WeakPolarHBondContact OD1-CD1 3.29Å |
| 498 | Q | 30.3 | Very low | 31.4 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 67% | 0.668 | S | S | * | * | | | trans | -73.4 | 141.1 | 147.5 | -68.5 | 175.1 | -37.7 | 0 | 0 | 110.2 | | |
| 499 | Y | 31.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | | | trans | -122.8 | 152.2 | 152 | -107.6 | -84 | 0 | 0 | 0 | 108.5 | N610 | Y499-N610 WeakPolarHBondContact CE2-ND2 3.36Š|
| 500 | H | 31.4 | Very low | 32.1 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 81% | 0.81 | 66% | 0.656 | S | S | * | * | | | trans | -64.5 | 172 | 173.2 | -86 | -96.4 | 0 | 0 | 0 | 111.2 | | |
| 501 | I | 31.5 | Very low | 32.6 | Very low | 160 Ų | 160 | 127 Ų | 127 | 82% | 0.821 | 66% | 0.66 | S | S | * | * | | | cis | -155.8 | 151.4 | 49.3 | -68.4 | 166.8 | 0 | 0 | 0 | 113.1 | | |
| 502 | S | 33.7 | Very low | 32.8 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | | | trans | -23.5 | 160.7 | 160.2 | -160.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 503 | G | 37.4 | Very low | 33.1 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | | | cis | 142.2 | 155.6 | -10 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 504 | Q | 34 | Very low | 33.3 | Very low | 179 Ų | 179 | 124.2 Ų | 124.2 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | | | trans | 70 | 140.1 | 160.3 | -75.8 | -172.3 | -19.7 | 0 | 0 | 123.8 | | |
| 505 | I | 33.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 123 Ų | 123 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | | | trans | 73.4 | 149.4 | 155.4 | -69 | 164.3 | 0 | 0 | 0 | 116.6 | | |
| 506 | H | 33.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 47% | 0.468 | 66% | 0.656 | S | S | . | * | | | cis | -172.4 | -172.6 | -31 | -83.6 | 167.9 | 0 | 0 | 0 | 106.1 | N480 D481 | N480-H506 PolarHBondContact O-CE1 3.17Å; D481-H506 WeakPolarHBondContact CB-NE2 3.41Å; D481-H506 PolarHBondContact O-NE2 3.44Å |
| 507 | V | 38 | Very low | 33.3 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | | | cis | -159.5 | 154.7 | -2.6 | -125.9 | 0 | 0 | 0 | 0 | 108.9 | N480 D481 | N480-V507 HydrophobicContact CB-CG1 4.32Å; D481-V507 VanDerWaalsContact OD2-CG1 3.28Å; D481-V507 WeakPolarHBondContact OD2-CG1 3.29Å |
| 508 | N | 34.1 | Very low | 33.5 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 40% | 0.396 | 69% | 0.685 | S | S | . | * | | | trans | 66.9 | 148.1 | 150.9 | -69.2 | -14.6 | 0 | 0 | 0 | 119.9 | Q278 | Q278-N508 VanDerWaalsContact NE2-N 3.15Å; Q278-N508 PolarHBondContact NE2-OD1 2.87Å; Q278-N508 VanDerWaalsContact OE1-CA 3.3Å |
| 509 | Q | 37.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | | | cis | -161.1 | 149.7 | 7.2 | -134.3 | 167.3 | 7.8 | 0 | 0 | 113.7 | | |
| 510 | S | 38.4 | Very low | 33.3 | Very low | 63 Ų | 63 | 120.7 Ų | 120.7 | 44% | 0.441 | 68% | 0.678 | S | S | . | * | | | trans | 55.9 | 148.8 | 152.4 | 44.7 | 0 | 0 | 0 | 0 | 121 | | |
| 511 | D | 35.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 117.4 Ų | 117.4 | 85% | 0.845 | 67% | 0.674 | S | S | * | * | | | cis | -165.4 | 158.2 | 22.5 | -124.2 | -22.7 | 0 | 0 | 0 | 114.7 | | |
| 512 | G | 33.7 | Very low | 32.9 | Very low | 62 Ų | 62 | 114.2 Ų | 114.2 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | | | trans | 100.8 | 101.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 125.5 | | |
| 513 | N | 34.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 116 Ų | 116 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | | | trans | 55.4 | 155.9 | 130.3 | -72.8 | -14.6 | 0 | 0 | 0 | 123.1 | | |
| 514 | V | 32 | Very low | 32.1 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | | | cis | -156.3 | 151.1 | 4.4 | 106 | 0 | 0 | 0 | 0 | 114.7 | | |
| 515 | T | 31.9 | Very low | 31.7 | Very low | 109 Ų | 109 | 115.3 Ų | 115.3 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | | | trans | -9 | 136.6 | 167.7 | 65.2 | 0 | 0 | 0 | 0 | 126.6 | | |
| 516 | S | 29.8 | Very low | 31.4 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | | | | 62.3 | 162.2 | 123.9 | 77.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 517 | Y | 28.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 115.9 Ų | 115.9 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | | | cis | -167.3 | 167.4 | 27.5 | -120.7 | -54.3 | 0 | 0 | 0 | 112 | | |
| 518 | H | 32.7 | Very low | 30.4 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | | | trans | 66.5 | 151.8 | 157.2 | -74.4 | -68.6 | 0 | 0 | 0 | 119.4 | | |
| 519 | D | 28.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | cis | -150.2 | -179 | 2.7 | -135.6 | -17.6 | 0 | 0 | 0 | 115.5 | | |
| 520 | A | 30.5 | Very low | 30 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | | | trans | 72.3 | 99.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 521 | S | 30.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | | | cis | 77.3 | 141.7 | 27.9 | 110.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 522 | S | 24.7 | Very low | 29.6 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | | | cis | -168.8 | 169.4 | -20 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 523 | L | 27.5 | Very low | 29.3 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 62.2 | 129.2 | 150.3 | -70.4 | 161.8 | 0 | 0 | 0 | 122.3 | | |
| 524 | N | 25.9 | Very low | 29 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | trans | 72.3 | 128.9 | 131.9 | -70.4 | -1.5 | 0 | 0 | 0 | 124.3 | | |
| 525 | A | 26.1 | Very low | 28.7 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | 82.9 | 120.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 526 | S | 26.5 | Very low | 28.9 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | 92.2 | 136.8 | 135.7 | 79.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 527 | N | 28.4 | Very low | 29.4 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 77.3 | 115 | 147.3 | -58.7 | -19.5 | 0 | 0 | 0 | 121.6 | | |
| 528 | L | 23.9 | Very low | 29.5 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -30.4 | 171.6 | 132.3 | -79.5 | 73.4 | 0 | 0 | 0 | 115.3 | | |
| 529 | P | 31.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | cis | -129.2 | -177.4 | -4.5 | 30.9 | -10.6 | 0 | 0 | 0 | 113.5 | | |
| 530 | G | 31.1 | Very low | 29.4 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | | | trans | 172.1 | 100 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 531 | S | 33.1 | Very low | 29.8 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | trans | -29.2 | 143.7 | 157.5 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 532 | Y | 30.8 | Very low | 29.9 | Very low | 230 Ų | 230 | 124.5 Ų | 124.5 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | cis | -122.6 | 159.7 | 40.3 | -78.4 | -96.5 | 0 | 0 | 0 | 116 | | |
| 533 | L | 27.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | -128.3 | 140.5 | -175.9 | -123.8 | 169.4 | 0 | 0 | 0 | 108.5 | | |
| 534 | S | 29.4 | Very low | 30.4 | Very low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | | | trans | 69.5 | 158.6 | 163.9 | -51.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 535 | Q | 25.5 | Very low | 30.7 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | S | Bend | cis | -115.3 | 157.4 | 8.5 | -110.4 | 77.1 | 12 | 0 | 0 | 114.5 | V537 | Q535-V537 PolarHBondContact O-N 3.05Š|
| 536 | S | 34.6 | Very low | 30.8 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 73.6 | -3.1 | 160.3 | 72.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 537 | V | 41.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | | | trans | -142.6 | 164.1 | -175 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | Q535 | Q535-V537 PolarHBondContact O-N 3.05Š|
| 538 | I | 30.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | | | trans | 92.9 | 124.3 | 169.5 | -53.2 | 174.6 | 0 | 0 | 0 | 115.2 | | |
| 539 | D | 27.7 | Very low | 31.3 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | | | trans | 55.7 | 138.1 | 163 | -68.3 | 5.3 | 0 | 0 | 0 | 120.4 | | |
| 540 | Q | 30.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 120 Ų | 120 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | | | cis | -152.4 | 140.1 | -1.6 | -128.4 | 166.4 | 57.1 | 0 | 0 | 109.4 | Y1374 | Q540-Y1374 CarbonylContact C-O 3.58Å; Q540-Y1374 VanDerWaalsContact C-O 3.3Å; Q540-Y1374 WeakPolarHBondContact CB-O 3.1Å |
| 541 | S | 37.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 66% | 0.659 | S | S | * | * | | | trans | -117 | 109.5 | -153 | 64.2 | 0 | 0 | 0 | 0 | 117.4 | Y1374 | S541-Y1374 VanDerWaalsContact C-CA 3.44Å; S541-Y1374 PolarHBondContact N-O 2.74Å; S541-Y1374 WeakPolarHBondContact O-CA 3.2Å; S541-Y1374 PolarHBondContact O-N 3.14Å |
| 542 | D | 33.5 | Very low | 30.8 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 44% | 0.444 | 66% | 0.66 | S | S | . | * | | | | 38 | 115.3 | 128.4 | -65.8 | 37.8 | 0 | 0 | 0 | 121.1 | S1375 W1376 | D542-S1375 VanDerWaalsContact N-CA 3.26Å; D542-W1376 VanDerWaalsContact OD1-CA 3.28Å; D542-W1376 WeakPolarHBondContact OD1-CA 3.46Å; D542-W1376 VanDerWaalsContact OD2-CD1 3.27Å |
| 543 | Y | 31.5 | Very low | 30.7 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 32% | 0.322 | 65% | 0.645 | S | S | . | * | | | trans | 8 | 117.8 | 152 | -85.7 | -112.5 | 0 | 0 | 0 | 118.7 | S1375 W1376 | Y543-S1375 WeakPolarHBondContact CD2-OG 3.4Å; Y543-S1375 PolarHBondContact N-OG 3.3Å; Y543-W1376 HydrophobicContact CD1-CD2 4.21Å; Y543-W1376 HydrophobicContact CD1-CE3 4.29Å; Y543-W1376 HydrophobicContact CD1-CH2 4.05Å; Y543-W1376 AromaticContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ3 4.22Å; Y543-W1376 HydrophobicContact CD2-CB 3.6Å; Y543-W1376 AromaticContact CD2-CD1 3.68Å; Y543-W1376 AromaticContact CD2-CD2 3.19Å; Y543-W1376 HydrophobicContact CD2-CD2 3.19Å; Y543-W1376 AromaticContact CD2-CE2 3.66Å; Y543-W1376 AromaticContact CD2-CE3 3.58Å; Y543-W1376 HydrophobicContact CD2-CE3 3.58Å; Y543-W1376 AromaticContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CZ2 4.38Å; Y543-W1376 HydrophobicContact CD2-CZ3 4.31Å; Y543-W1376 AromaticContact CD2-NE1 3.93Å; Y543-W1376 HydrophobicContact CE1-CD2 4.41Å; Y543-W1376 HydrophobicContact CE1-CE3 4.05Å; Y543-W1376 HydrophobicContact CE1-CH2 4.03Å; Y543-W1376 HydrophobicContact CE1-CZ2 4.39Å; Y543-W1376 AromaticContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE2-CB 3.85Å; Y543-W1376 AromaticContact CE2-CD2 3.44Å; Y543-W1376 HydrophobicContact CE2-CD2 3.44Å; Y543-W1376 VanDerWaalsContact CE2-CD2 3.44Å; Y543-W1376 AromaticContact CE2-CE3 3.28Å; Y543-W1376 HydrophobicContact CE2-CE3 3.28Å; Y543-W1376 AromaticContact CE2-CG 3.75Å; Y543-W1376 HydrophobicContact CE2-CG 3.75Å; Y543-W1376 AromaticContact CE2-CZ3 3.94Å; Y543-W1376 HydrophobicContact CE2-CZ3 3.94Å; Y543-W1376 AromaticContact CG-CD1 4Å; Y543-W1376 AromaticContact CG-CD2 3.62Å; Y543-W1376 HydrophobicContact CG-CD2 3.62Å; Y543-W1376 AromaticContact CG-CE2 3.54Å; Y543-W1376 HydrophobicContact CG-CE3 4.09Å; Y543-W1376 AromaticContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CH2 4.39Å; Y543-W1376 AromaticContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ3 4.45Å; Y543-W1376 AromaticContact CG-NE1 3.81Å; Y543-W1376 AromaticContact CZ-CE3 3.53Å; Y543-W1376 AromaticContact CZ-CZ3 3.68Å |
| 544 | V | 31.3 | Very low | 30.9 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 36% | 0.358 | 63% | 0.631 | S | S | . | * | | | | 74.2 | 105.8 | 76 | 167.6 | 0 | 0 | 0 | 0 | 113.8 | Y1374 | V544-Y1374 HydrophobicContact CG2-CD1 4.47Å; V544-Y1374 HydrophobicContact CG2-CE1 3.61Å |
| 545 | N | 30.7 | Very low | 31 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | | | | -167.6 | 121.4 | 99.9 | -104.2 | -46.6 | 0 | 0 | 0 | 114.5 | N463 N464 | N463-N545 PolarHBondContact O-OD1 3.24Å; N464-N545 WeakPolarHBondContact CB-OD1 3.22Å; N464-N545 PolarHBondContact N-ND2 2.95Å; N464-N545 VanDerWaalsContact N-ND2 3.16Å; N464-N545 PolarHBondContact N-OD1 2.84Å; N464-N545 PolarHBondContact ND2-OD1 3.42Å; N464-N545 VanDerWaalsContact ND2-OD1 3.1Å; N464-N545 PolarHBondContact O-ND2 2.89Å |
| 546 | I | 28.9 | Very low | 31.2 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | | | trans | -144.3 | 123.9 | 162.4 | -59.5 | 179.3 | 0 | 0 | 0 | 107.7 | Q548 | I546-Q548 HydrophobicContact CG2-CB 4.33Å; I546-Q548 HydrophobicContact CG2-CG 4.12Å |
| 547 | P | 33.3 | Very low | 31.2 | Very low | 82 Ų | 82 | 117.2 Ų | 117.2 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | | | trans | -99.8 | 99.4 | 161.4 | 32.8 | -25.1 | 0 | 0 | 0 | 110 | | |
| 548 | Q | 28.6 | Very low | 30.9 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 86% | 0.855 | 63% | 0.625 | S | S | * | * | | | trans | -95.1 | 166.5 | 170.4 | -105 | -169.7 | -1.7 | 0 | 0 | 112.5 | I546 | I546-Q548 HydrophobicContact CG2-CB 4.33Å; I546-Q548 HydrophobicContact CG2-CG 4.12Å |
| 549 | S | 28.5 | Very low | 31 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | | | trans | -89.5 | 145.2 | -166.1 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 550 | K | 29 | Very low | 31.3 | Very low | 180 Ų | 180 | 117 Ų | 117 | 78% | 0.783 | 63% | 0.628 | S | S | * | * | | | trans | 51.2 | 125.4 | 136.7 | -70.5 | -175.8 | 173.3 | -174.2 | 0 | 120.1 | | |
| 551 | L | 28.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | | | | 55.8 | 141 | 127.7 | -67.9 | 159.1 | 0 | 0 | 0 | 120.3 | | |
| 552 | N | 27.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | | | | -168.1 | 139.1 | 101.8 | -93.2 | -3.3 | 0 | 0 | 0 | 112 | | |
| 553 | N | 27.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 124 Ų | 124 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | | | trans | -134.6 | 131.5 | 162.2 | -77.6 | 80 | 0 | 0 | 0 | 107.4 | E485 | E485-N553 WeakPolarHBondContact CG-ND2 3.41Å; E485-N553 PolarHBondContact OE1-ND2 2.99Å |
| 554 | D | 31.8 | Very low | 31 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 49% | 0.487 | 70% | 0.696 | S | S | . | * | | | trans | -139.4 | 149.4 | -176.3 | -89.5 | -51.5 | 0 | 0 | 0 | 106.5 | | |
| 555 | Q | 33 | Very low | 30.7 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | | | cis | -162 | 164.7 | -12 | -82.1 | -139.9 | 3.1 | 0 | 0 | 109.3 | | |
| 556 | I | 28.7 | Very low | 30.5 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | | | trans | -138.7 | 97.4 | 151.3 | -55.6 | -177.1 | 0 | 0 | 0 | 112.1 | | |
| 557 | S | 34.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | 38.6 | 159.6 | 124 | -56.2 | 0 | 0 | 0 | 0 | 125.5 | | |
| 558 | P | 35.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | | | trans | -135 | -174.9 | -157 | 43.9 | -25.6 | 0 | 0 | 0 | 118.3 | | |
| 559 | N | 31.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | | | trans | 68.8 | 155.2 | 160.1 | -76.8 | 4.6 | 0 | 0 | 0 | 118.4 | | |
| 560 | N | 34 | Very low | 31.2 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | | | cis | -142.6 | 159.5 | 4.6 | -90.8 | -32.5 | 0 | 0 | 0 | 108 | | |
| 561 | N | 35.7 | Very low | 31.4 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | | 168.3 | 167.5 | 75.4 | -114.5 | -21.1 | 0 | 0 | 0 | 109.9 | | |
| 562 | N | 36.2 | Very low | 31.5 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | | | trans | -102.7 | 135.3 | 176.6 | -89.6 | -19.8 | 0 | 0 | 0 | 114.3 | | |
| 563 | S | 30.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | trans | -162.4 | 175.4 | 150.2 | -161 | 0 | 0 | 0 | 0 | 111.6 | | |
| 564 | L | 25.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | -73.2 | 168.5 | -173.7 | -79.1 | 149.3 | 0 | 0 | 0 | 114.3 | | |
| 565 | T | 25.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | 90.9 | 121.7 | 156.3 | 70 | 0 | 0 | 0 | 0 | 119.3 | | |
| 566 | L | 25.4 | Very low | 31 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 65.3 | 109.8 | 140 | -65 | 167.4 | 0 | 0 | 0 | 120.5 | | |
| 567 | T | 30.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 85.5 | 153.4 | 132.7 | 60.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 568 | T | 36.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | trans | 65.5 | 84.5 | 166.8 | 50.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 569 | N | 32.7 | Very low | 30.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | | 73.3 | 119.8 | 118.5 | -55.7 | -14.4 | 0 | 0 | 0 | 121.5 | | |
| 570 | A | 33.9 | Very low | 30.5 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | 72.6 | 132 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 571 | L | 34.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | cis | -129.6 | 160.6 | -8.5 | -63.4 | 90.7 | 0 | 0 | 0 | 108.9 | | |
| 572 | P | 31.1 | Very low | 30 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | S | Bend | | -124.5 | 145.3 | 86.5 | 36.6 | -32.8 | 0 | 0 | 0 | 114.6 | | |
| 573 | T | 28.1 | Very low | 29.6 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 71.7 | 150.6 | 163.5 | -14.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 574 | Y | 25.8 | Very low | 29.3 | Very low | 189 Ų | 189 | 124 Ų | 124 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | trans | 60.1 | 97.1 | 175.7 | -63 | -75.9 | 0 | 0 | 0 | 116.6 | | |
| 575 | M | 27.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | | | | 82.9 | 109 | 72.9 | -77 | -130.6 | -56.8 | 0 | 0 | 113.5 | | |
| 576 | I | 25.8 | Very low | 29.5 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -136.9 | 120.9 | 159.7 | -63.7 | -179.5 | 0 | 0 | 0 | 103.4 | | |
| 577 | L | 30.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | S | Bend | cis | -122.9 | 154.9 | 12.8 | -61.2 | 86.3 | 0 | 0 | 0 | 111.7 | | |
| 578 | P | 27.6 | Very low | 29.4 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | | | cis | -132.4 | 173.2 | -28.8 | 37.3 | -21.9 | 0 | 0 | 0 | 113.3 | | |
| 579 | S | 29.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | 62.6 | 149 | 160.5 | 44.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 580 | S | 33 | Very low | 29.2 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | | | cis | -165.4 | 171.8 | -20.1 | 46 | 0 | 0 | 0 | 0 | 110.5 | | |
| 581 | V | 31.8 | Very low | 28.8 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -36.1 | 156.4 | 179.1 | -80.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 582 | S | 28 | Very low | 28.6 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 53% | 0.531 | 72% | 0.717 | S | S | . | * | | | trans | -77.8 | 162.2 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 116.1 | N601 | S582-N601 PolarHBondContact OG-ND2 2.91Š|
| 583 | S | 26.4 | Very low | 28.5 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | | | trans | 55.8 | 102.1 | 154.1 | 61.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 584 | L | 26.5 | Very low | 28.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | | | trans | -161.8 | 173.9 | 144.6 | -114.9 | 165.2 | 0 | 0 | 0 | 109.2 | | |
| 585 | N | 27.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | | | trans | -61 | 144.8 | 164.3 | -63.6 | -56.1 | 0 | 0 | 0 | 109.4 | | |
| 586 | D | 27.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | | | | -143.6 | 150.7 | 111.9 | -115.2 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 587 | Y | 27.3 | Very low | 29.4 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | | | trans | -83.2 | 145 | -171.5 | -110 | -121.7 | 0 | 0 | 0 | 112.1 | | |
| 588 | L | 26.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | | | trans | 69 | 158 | 156.1 | -62.9 | 161 | 0 | 0 | 0 | 118.6 | P590 | L588-P590 WeakPolarHBondContact O-CD 3.24Š|
| 589 | L | 34.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | | | trans | -59.6 | 122.4 | 150.2 | -64.6 | 154.5 | 0 | 0 | 0 | 108 | | |
| 590 | P | 29.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 62% | 0.623 | 74% | 0.739 | S | S | * | * | | | | -148.8 | 147.2 | 120.8 | 35.9 | -20 | 0 | 0 | 0 | 115.6 | L588 | L588-P590 WeakPolarHBondContact O-CD 3.24Š|
| 591 | I | 26.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | | | | -85.7 | 128.4 | 127.6 | -68.1 | 175.9 | 0 | 0 | 0 | 104 | | |
| 592 | P | 28.8 | Very low | 29.8 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | | | cis | -130.8 | 152.2 | 37.1 | 38.5 | -22.8 | 0 | 0 | 0 | 117.6 | | |
| 593 | N | 29.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | 29.1 | 97.8 | 137.6 | -50 | -14.5 | 0 | 0 | 0 | 119.3 | | |
| 594 | S | 30.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | | 160.7 | 126.9 | 114.5 | 54 | 0 | 0 | 0 | 0 | 117.8 | | |
| 595 | L | 28.9 | Very low | 30.4 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | | | trans | 71.1 | 158.2 | 149.3 | -84.5 | 69.9 | 0 | 0 | 0 | 121.2 | | |
| 596 | P | 35.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | | | trans | -142.6 | 174.6 | -144 | 35.8 | -12.5 | 0 | 0 | 0 | 120.4 | | |
| 597 | T | 31 | Very low | 30.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | | | trans | 138.7 | 130.8 | 131.3 | 56.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 598 | S | 31.7 | Very low | 30.9 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | 105.8 | 109.4 | 133.6 | 72.4 | 0 | 0 | 0 | 0 | 127.5 | | |
| 599 | I | 33.6 | Very low | 31.2 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | | | | 91.9 | 127.9 | 118.7 | -69.5 | 172.5 | 0 | 0 | 0 | 126.4 | | |
| 600 | L | 31.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 125 Ų | 125 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | | | trans | 90.3 | 164.4 | 152.9 | -117.5 | 71.6 | 0 | 0 | 0 | 125.4 | | |
| 601 | N | 31.1 | Very low | 31.2 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 42% | 0.417 | 70% | 0.697 | S | S | . | * | | | trans | -167.2 | 157.4 | -145.3 | -159.5 | -13.2 | 0 | 0 | 0 | 116.6 | S582 | S582-N601 PolarHBondContact OG-ND2 2.91Š|
| 602 | K | 34 | Very low | 31.1 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | | | trans | 71.6 | 161.5 | 154 | -99.7 | -179.5 | 174.8 | -171.5 | 0 | 122.8 | | |
| 603 | T | 33.5 | Very low | 31 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | | | cis | -126.4 | -143.9 | -2.4 | 38.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 604 | D | 28.4 | Very low | 31 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | | | cis | -168.5 | -178.8 | 3 | -135.9 | -55.6 | 0 | 0 | 0 | 115.7 | | |
| 605 | I | 31.6 | Very low | 30.8 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | | | trans | 75.8 | 156.6 | 170.3 | -51.4 | -173.4 | 0 | 0 | 0 | 118.8 | | |
| 606 | S | 29.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | | | trans | -157 | -173.5 | -145.1 | 57.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 607 | I | 31.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 123 Ų | 123 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | | | trans | 118 | 115.5 | 149.1 | -76.1 | 167 | 0 | 0 | 0 | 122.8 | | |
| 608 | I | 29.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | | | trans | 72.7 | 172.4 | 141.3 | -65.5 | 178.1 | 0 | 0 | 0 | 122.1 | | |
| 609 | T | 33.1 | Very low | 30 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | | | trans | -154.7 | 172.9 | -141.7 | 61.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 610 | N | 29.3 | Very low | 29.8 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 44% | 0.439 | 64% | 0.644 | S | S | . | * | | | trans | 82.9 | 94.3 | 148.6 | -85.7 | -11.1 | 0 | 0 | 0 | 124.5 | N497 Y499 | N497-N610 VanDerWaalsContact ND2-CG 3.29Å; N497-N610 PolarHBondContact ND2-ND2 3.21Å; N497-N610 PolarHBondContact ND2-OD1 3.04Å; Y499-N610 WeakPolarHBondContact CE2-ND2 3.36Å |
| 611 | I | 34.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 116.9 Ų | 116.9 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | | | trans | 28.8 | 124.3 | 133.2 | -8.4 | 178.7 | 0 | 0 | 0 | 123 | N497 | N497-I611 WeakPolarHBondContact ND2-CD1 3.48Å; N497-I611 VanDerWaalsContact OD1-CD1 3.32Å; N497-I611 WeakPolarHBondContact OD1-CD1 3.29Å |
| 612 | N | 25.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | | | trans | -166.8 | 158.6 | 141.3 | -99.3 | -3.5 | 0 | 0 | 0 | 104.3 | R496 | R496-N612 WeakPolarHBondContact CD-OD1 3.06Å; R496-N612 PolarHBondContact NE-OD1 3.31Å; R496-N612 PolarHBondContact NH1-OD1 3.39Å |
| 613 | N | 26.5 | Very low | 29 | Very low | 91 Ų | 91 | 122 Ų | 122 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | | | cis | -175.9 | -171.5 | 1.3 | -131.8 | 32.3 | 0 | 0 | 0 | 106.4 | R496 | R496-N613 PolarHBondContact NH1-OD1 3.09Š|
| 614 | D | 30.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | | | trans | 47.1 | 101.2 | 143.6 | -49.2 | -23.9 | 0 | 0 | 0 | 122.5 | | |
| 615 | D | 25.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | | | | 72.6 | 151.1 | 111.1 | -138.6 | -3.8 | 0 | 0 | 0 | 123.1 | | |
| 616 | L | 28.4 | Very low | 28.5 | Very low | 127 Ų | 127 | 119 Ų | 119 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | | | trans | 68.8 | 117.9 | 166 | -54.4 | -178.3 | 0 | 0 | 0 | 121.3 | | |
| 617 | L | 26.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | | | trans | 56.3 | 122.9 | 130.4 | -53.5 | 173.1 | 0 | 0 | 0 | 118.6 | | |
| 618 | M | 30.1 | Very low | 28.3 | Very low | 135 Ų | 135 | 118.4 Ų | 118.4 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | | | cis | -149.1 | 172.6 | 20.9 | -85.3 | -59.4 | -165.1 | 0 | 0 | 112.7 | | |
| 619 | D | 24.6 | Very low | 28.3 | Very low | 50 Ų | 50 | 120.6 Ų | 120.6 | 27% | 0.267 | 65% | 0.654 | S | S | . | * | | | trans | -19.4 | 147.1 | 151.9 | -44.4 | -52.6 | 0 | 0 | 0 | 116.3 | N1249 | D619-N1249 VanDerWaalsContact OD1-CB 3.27Å; D619-N1249 WeakPolarHBondContact OD1-CB 3.41Å; D619-N1249 PolarHBondContact OD1-N 3.08Å; D619-N1249 PolarHBondContact OD1-ND2 3.46Å; D619-N1249 PolarHBondContact OD2-ND2 3.04Å |
| 620 | T | 29 | Very low | 28.2 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | | | | -165.9 | 138.9 | 66.4 | 18.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 621 | S | 29.8 | Very low | 28.2 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | | | trans | 27.4 | 105 | 151.6 | 62 | 0 | 0 | 0 | 0 | 118.7 | L623 | S621-L623 PolarHBondContact O-N 3.36Š|
| 622 | F | 23.7 | Very low | 27.8 | Very low | 201 Ų | 201 | 131.6 Ų | 131.6 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | | | trans | -49.1 | 134.6 | 132.6 | -96.8 | -107.9 | 0 | 0 | 0 | 108.8 | | |
| 623 | L | 27.7 | Very low | 27.9 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | | | trans | -110.4 | 122.4 | 149.7 | -148.5 | 111.4 | 0 | 0 | 0 | 109.3 | S621 T625 | S621-L623 PolarHBondContact O-N 3.36Å; L623-T625 PolarHBondContact O-N 3.41Å |
| 624 | S | 24.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | -53.5 | 115.1 | -179 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 625 | T | 28.9 | Very low | 28.1 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | | -156.2 | 92.8 | 124.2 | 19.6 | 0 | 0 | 0 | 0 | 111.7 | L623 | L623-T625 PolarHBondContact O-N 3.41Š|
| 626 | V | 29.6 | Very low | 28.2 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | | | trans | -76.4 | 148.9 | 161 | 163 | 0 | 0 | 0 | 0 | 109 | | |
| 627 | P | 31.1 | Very low | 28.3 | Very low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | | | cis | -132 | -175.5 | -14 | 29.9 | -8.2 | 0 | 0 | 0 | 115.1 | | |
| 628 | E | 25.4 | Very low | 28.2 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | 6.2 | 131.6 | 142.9 | -57.3 | 90.8 | -101.7 | 0 | 0 | 120.3 | | |
| 629 | E | 29.9 | Very low | 28 | Very low | 196 Ų | 196 | 128.5 Ų | 128.5 | 92% | 0.916 | 72% | 0.715 | S | S | * | * | | | | -123 | 136.5 | 110.8 | -94.2 | -176.1 | -173 | 0 | 0 | 107.2 | | |
| 630 | D | 30.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | | | trans | -76 | 138.1 | -159.2 | -50 | -71.6 | 0 | 0 | 0 | 114.4 | | |
| 631 | Y | 29.4 | Very low | 28.3 | Very low | 237 Ų | 237 | 136.5 Ų | 136.5 | 93% | 0.929 | 74% | 0.744 | S | S | * | * | | | trans | -138 | 44.1 | 160.1 | -98.1 | -71.3 | 0 | 0 | 0 | 111.4 | | |
| 632 | D | 26.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -85.5 | 146.9 | 160.6 | -90.2 | 9 | 0 | 0 | 0 | 109.5 | | |
| 633 | I | 28.2 | Very low | 28.5 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | cis | -157.4 | 158.9 | -17.2 | -126 | 167.5 | 0 | 0 | 0 | 107.2 | | |
| 634 | G | 30.3 | Very low | 28.6 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | | | trans | 141.3 | 126.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 635 | D | 30.5 | Very low | 28.7 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | cis | -149.5 | 141.8 | -8.3 | -107.7 | -24.8 | 0 | 0 | 0 | 113.3 | | |
| 636 | I | 27.3 | Very low | 28.9 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | trans | 23.6 | 118.9 | 140.8 | -42.8 | 154.6 | 0 | 0 | 0 | 118.4 | | |
| 637 | T | 29.5 | Very low | 28.9 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | | -176.5 | 131 | 112 | 24.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 638 | S | 25.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | | | trans | 36.5 | 119 | 146.7 | 64.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 639 | S | 26.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | | 80.4 | 131.6 | 122.5 | 77.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 640 | N | 25.3 | Very low | 29.3 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | | | trans | 53.1 | 80 | 142.3 | -60.2 | -3.8 | 0 | 0 | 0 | 119.4 | | |
| 641 | K | 33.9 | Very low | 29.1 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | | | trans | -145.2 | 135.4 | 132.2 | -127.6 | 163.5 | -170.6 | 168.9 | 0 | 114.5 | | |
| 642 | T | 28.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | | | trans | -73 | 160.1 | 176.4 | 33.7 | 0 | 0 | 0 | 0 | 112.5 | Q199 | Q199-T642 VanDerWaalsContact OE1-CB 3.23Å; Q199-T642 VanDerWaalsContact OE1-CG2 3.28Å |
| 643 | T | 29.1 | Very low | 29.3 | Very low | 59 Ų | 59 | 133.9 Ų | 133.9 | 36% | 0.362 | 73% | 0.728 | S | S | . | * | | | trans | -40.9 | 154.2 | 163 | -5.9 | 0 | 0 | 0 | 0 | 113 | Q199 | Q199-T643 WeakPolarHBondContact CG-OG1 3.15Å; Q199-T643 PolarHBondContact OE1-OG1 2.92Å |
| 644 | P | 29.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | | | | -152.6 | 157.5 | 81 | 43.3 | -25.8 | 0 | 0 | 0 | 117.8 | | |
| 645 | Q | 27.2 | Very low | 28.9 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | 68.5 | 163.4 | 162.4 | -33 | -148.7 | 30.5 | 0 | 0 | 115.9 | | |
| 646 | Q | 32.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | cis | -148.1 | 142.2 | -1.3 | -152.1 | 171.2 | 63.8 | 0 | 0 | 112.8 | | |
| 647 | S | 30.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -144.2 | 166.2 | 140 | 86.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 648 | P | 38.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | cis | -137.5 | 168 | 19.3 | 41.1 | -24.5 | 0 | 0 | 0 | 116.4 | | |
| 649 | C | 26.3 | Very low | 28.9 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -149.1 | 130.5 | 139.1 | -111.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 650 | K | 31.1 | Very low | 29 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | trans | 15.6 | 120.5 | 142.3 | -68.4 | 171.1 | -177.4 | 170.7 | 0 | 119.3 | | |
| 651 | R | 26.3 | Very low | 29.2 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | | 61.1 | 152.4 | 101.7 | -158.8 | -175.6 | -176.8 | 156 | 0 | 118.8 | | |
| 652 | V | 31.8 | Very low | 28.9 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | trans | 81.3 | 93.4 | 173.5 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 653 | Y | 27.9 | Very low | 28.8 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | | 77.6 | 118.2 | 71.1 | -84.9 | -70.4 | 0 | 0 | 0 | 115.1 | | |
| 654 | L | 27.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | | | trans | 53.7 | 102.6 | 133.2 | -151 | 81.2 | 0 | 0 | 0 | 118.5 | K656 | L654-K656 HydrophobicContact CD1-CD 3.83Å; L654-K656 HydrophobicContact CD1-CG 3.91Å; L654-K656 HydrophobicContact CG-CB 4.47Å; L654-K656 HydrophobicContact CG-CD 4.44Å; L654-K656 HydrophobicContact CG-CG 4.21Å |
| 655 | M | 22.8 | Very low | 28.9 | Very low | 195 Ų | 195 | 152 Ų | 152 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | | | trans | -112.6 | 111.1 | 145.3 | -86.7 | -67.8 | 156.7 | 0 | 0 | 109.7 | | |
| 656 | K | 29.6 | Very low | 29 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -140.6 | 140.5 | 173.2 | -74.2 | -173.9 | -178.2 | 177.5 | 0 | 107.9 | L654 | L654-K656 HydrophobicContact CD1-CD 3.83Å; L654-K656 HydrophobicContact CD1-CG 3.91Å; L654-K656 HydrophobicContact CG-CB 4.47Å; L654-K656 HydrophobicContact CG-CD 4.44Å; L654-K656 HydrophobicContact CG-CG 4.21Å |
| 657 | P | 31.2 | Very low | 29 | Very low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | S | Bend | cis | -133.6 | 95.6 | -31.4 | 34 | -15.3 | 0 | 0 | 0 | 110.4 | | |
| 658 | L | 24.5 | Very low | 29.1 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | | | trans | -160.5 | 158.7 | 165.1 | -111.3 | 164.9 | 0 | 0 | 0 | 109.5 | | |
| 659 | N | 27.4 | Very low | 28.8 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -101.8 | 121.8 | -175.3 | -162.2 | 36.5 | 0 | 0 | 0 | 110.5 | | |
| 660 | N | 28.2 | Very low | 29.2 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | | | trans | 65.9 | 149.6 | 166.2 | -66.4 | -9.4 | 0 | 0 | 0 | 120.1 | | |
| 661 | N | 30.3 | Very low | 29.2 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 66.2 | 87.1 | 153.6 | -57.4 | -5.2 | 0 | 0 | 0 | 119.6 | | |
| 662 | L | 27.4 | Very low | 29.4 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | | -152.1 | 120.2 | 100.5 | -159.4 | 73 | 0 | 0 | 0 | 110.9 | | |
| 663 | L | 27.1 | Very low | 29.5 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -147.1 | 100.6 | 169.1 | -176.7 | 156.4 | 0 | 0 | 0 | 107 | | |
| 664 | E | 29.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -157.6 | 103.1 | 176.2 | -147.2 | 166 | -118.2 | 0 | 0 | 112.3 | | |
| 665 | S | 30.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 173.4 | 130.1 | 130.6 | 38.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 666 | N | 29.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | cis | -158.1 | 177.8 | -10.4 | -131.6 | -37.3 | 0 | 0 | 0 | 111.5 | | |
| 667 | Q | 30.8 | Very low | 30 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 80.8 | 129.7 | 174 | -54.8 | -172.6 | 16.9 | 0 | 0 | 115.8 | | |
| 668 | N | 33 | Very low | 29.8 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | | | cis | -155.9 | 139.1 | -2.3 | -96.6 | -27 | 0 | 0 | 0 | 111.8 | | |
| 669 | N | 32.2 | Very low | 30.2 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | 54.2 | 153.7 | 140.7 | -61 | -24.3 | 0 | 0 | 0 | 121.3 | | |
| 670 | Q | 34.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -163.2 | 130.6 | -13.4 | -103.2 | 157.1 | 10.2 | 0 | 0 | 105.1 | | |
| 671 | N | 30.4 | Very low | 30.5 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | | 77.2 | 132.6 | 74.8 | -79.2 | 7.5 | 0 | 0 | 0 | 117.3 | | |
| 672 | N | 31.4 | Very low | 30.6 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 99.4 | 108.8 | 143.9 | -68.9 | 5.1 | 0 | 0 | 0 | 123.9 | | |
| 673 | T | 32.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 71.5 | 150.6 | 125.4 | 57.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 674 | E | 27.6 | Very low | 30.8 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | | | trans | -63.5 | 160.4 | 168.6 | -54.8 | 166.2 | 144.6 | 0 | 0 | 112.3 | | |
| 675 | G | 29.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | cis | 178.2 | 162.5 | -3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 676 | I | 30.8 | Very low | 31.3 | Very low | 173 Ų | 173 | 140 Ų | 140 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | | | trans | -137.9 | 151.5 | 177.3 | -68 | -176.3 | 0 | 0 | 0 | 110.4 | | |
| 677 | H | 30.9 | Very low | 31.3 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | -47.2 | 149.9 | 179.8 | -80.8 | -96 | 0 | 0 | 0 | 118.2 | | |
| 678 | D | 27.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | trans | 32 | 120.8 | 133.2 | -48.4 | -43.1 | 0 | 0 | 0 | 120.4 | | |
| 679 | I | 31.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | | 173.5 | 117.8 | 108.7 | -86.8 | 162.8 | 0 | 0 | 0 | 110.5 | | |
| 680 | V | 31.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | | | trans | 28.1 | 124.6 | 133.6 | -169.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 681 | H | 31.8 | Very low | 31.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | | | cis | -163.5 | -173.4 | 28.8 | -128.6 | -17.2 | 0 | 0 | 0 | 113.7 | | |
| 682 | H | 30.5 | Very low | 31 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | 82 | 85.2 | 160.3 | -53.7 | -50.9 | 0 | 0 | 0 | 122 | | |
| 683 | S | 29.9 | Very low | 31 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | | 50.1 | 95.4 | 124 | -49.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 684 | S | 29.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | 80.7 | 156.4 | 76.4 | -59.9 | 0 | 0 | 0 | 0 | 116 | | |
| 685 | P | 41.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | | -147.8 | 172 | -86.7 | 38.3 | -15.2 | 0 | 0 | 0 | 119.8 | | |
| 686 | K | 29.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | 41 | 111.4 | 135.5 | -63.8 | 172.7 | -177.4 | 177.4 | 0 | 123.8 | | |
| 687 | S | 29.3 | Very low | 31 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | | 30.4 | 147.8 | 110.2 | 70 | 0 | 0 | 0 | 0 | 125.5 | | |
| 688 | L | 27.4 | Very low | 31 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | | | trans | 95.2 | 168.9 | 149.1 | -74 | 157.3 | 0 | 0 | 0 | 120.6 | | |
| 689 | S | 29.2 | Very low | 31 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | -153.6 | -169.7 | -148.4 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 690 | P | 42.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | cis | -129.2 | 178.3 | -37.7 | 36.7 | -20.9 | 0 | 0 | 0 | 113.8 | | |
| 691 | V | 28.5 | Very low | 30.8 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | | | trans | 179 | 147 | 131.4 | 144.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 692 | T | 27.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | | | trans | -28.7 | 135 | 178.4 | -35.8 | 0 | 0 | 0 | 0 | 121 | | |
| 693 | I | 31.7 | Very low | 30.8 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | | 165.1 | 127.1 | 121.7 | -86.6 | 167.8 | 0 | 0 | 0 | 110.2 | | |
| 694 | L | 30.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | | | trans | 59.1 | 150.6 | 168.2 | -71.4 | 165.8 | 0 | 0 | 0 | 116.7 | | |
| 695 | Q | 31.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | | | cis | -147.9 | 170.5 | -15.4 | -170.6 | 158.4 | 1.5 | 0 | 0 | 109.2 | | |
| 696 | T | 28.8 | Very low | 30.1 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | | | trans | -51.3 | 153.4 | 166.3 | 41.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 697 | A | 29 | Very low | 29.8 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | | | cis | -170.7 | 168.3 | -6.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 698 | Q | 30.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | 55.8 | 153.1 | 147.1 | -73.8 | 168.3 | -30.2 | 0 | 0 | 120.4 | | |
| 699 | S | 27.5 | Very low | 29.7 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | | | cis | -178 | 117.5 | -24.1 | 167.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 700 | L | 28 | Very low | 29.8 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | | | trans | 63.4 | 164.7 | 167.9 | -54.3 | 166.4 | 0 | 0 | 0 | 113.6 | | |
| 701 | H | 32 | Very low | 29.1 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 63% | 0.625 | 69% | 0.688 | S | S | * | * | | | cis | -153.6 | 145.6 | -16.6 | -130 | -10.5 | 0 | 0 | 0 | 109 | | |
| 702 | N | 31.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | | | trans | 61.2 | 166.7 | 146.7 | -54.3 | -11.1 | 0 | 0 | 0 | 115.4 | | |
| 703 | K | 30.3 | Very low | 29.3 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 64% | 0.635 | 69% | 0.689 | S | S | * | * | | | | -167.4 | 140 | 60 | -91.4 | 176.4 | 149.6 | -78.5 | 0 | 111.5 | | |
| 704 | E | 28.9 | Very low | 29 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | | | trans | 64.9 | 177.1 | 138.6 | -70.4 | 137.4 | -154.6 | 0 | 0 | 115.1 | | |
| 705 | T | 31.1 | Very low | 28.9 | Very low | 71 Ų | 71 | 124.6 Ų | 124.6 | 44% | 0.436 | 69% | 0.691 | S | S | . | * | | | cis | -148 | 159.4 | 27.2 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 706 | E | 25.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -100 | 143.6 | 38.2 | -60.4 | 175.2 | 169.1 | 0 | 0 | 113.7 | | |
| 707 | L | 24.5 | Very low | 28.8 | Very low | 140 Ų | 140 | 123 Ų | 123 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | S | Bend | cis | -96.6 | 125.6 | 8.6 | -75.9 | 165.6 | 0 | 0 | 0 | 114.3 | | |
| 708 | N | 25.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | | | trans | 56.9 | 131.9 | 148.3 | -58.6 | -9.9 | 0 | 0 | 0 | 123.6 | | |
| 709 | S | 28.5 | Very low | 29 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | | | trans | 78.5 | 80.4 | 153.1 | 29.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 710 | N | 30.6 | Very low | 29.1 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | | | | 60.7 | 103.6 | 103.4 | -61.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 711 | S | 28.2 | Very low | 29.3 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | | | | 54 | 128.5 | 115.5 | 71.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 712 | S | 28.3 | Very low | 29.1 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | | | trans | 65.5 | 150.9 | 133.2 | 67.2 | 0 | 0 | 0 | 0 | 122 | | |
| 713 | G | 32.1 | Very low | 29 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | trans | 95.8 | 134.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 714 | Q | 25.8 | Very low | 29.1 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | | | cis | 69.9 | 136 | 21.7 | -143.6 | -167.1 | -5.7 | 0 | 0 | 114.6 | | |
| 715 | I | 28.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | | | trans | 83.2 | 122.6 | 169.5 | -67.1 | 166.1 | 0 | 0 | 0 | 116.8 | | |
| 716 | H | 29.2 | Very low | 29.1 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | 32.2 | 124.6 | 146.4 | -66.4 | -95 | 0 | 0 | 0 | 119.9 | | |
| 717 | S | 28.9 | Very low | 29.5 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | | | | 81.2 | 156.1 | 52.5 | 87.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 718 | D | 30.4 | Very low | 30.1 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | 103.7 | 124.3 | 167.7 | -52.7 | -0 | 0 | 0 | 0 | 111.3 | | |
| 719 | E | 33.8 | Very low | 30.4 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | cis | 145.4 | 160.1 | 31.9 | -99.5 | -153.9 | 154.4 | 0 | 0 | 102.8 | | |
| 720 | N | 30.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | | | cis | -163.1 | 165.4 | -4.9 | -124.6 | -25.2 | 0 | 0 | 0 | 109.9 | | |
| 721 | V | 32.9 | Very low | 30.5 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | 66.5 | 139.3 | 145.2 | 164 | 0 | 0 | 0 | 0 | 118.2 | | |
| 722 | E | 27.5 | Very low | 30.8 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | | | cis | -156.1 | 157.4 | 1.9 | -130.8 | -178 | 126.9 | 0 | 0 | 114.1 | | |
| 723 | L | 29.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 65.3 | 170.2 | 149.7 | -81.8 | 171.9 | 0 | 0 | 0 | 124.5 | | |
| 724 | Q | 33.1 | Very low | 30.5 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -111.3 | 175.6 | -160.9 | -79.1 | -173.6 | 10.7 | 0 | 0 | 111.7 | | |
| 725 | P | 33.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | cis | -157.6 | 168.2 | 36.9 | 45 | -22.3 | 0 | 0 | 0 | 122.7 | | |
| 726 | L | 26.4 | Very low | 30.4 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | | | trans | 53.9 | 148.3 | 141.4 | -67.9 | 168.2 | 0 | 0 | 0 | 124.2 | | |
| 727 | S | 33.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -96.5 | 173.1 | -168.7 | 57 | 0 | 0 | 0 | 0 | 116.1 | | |
| 728 | P | 37.2 | Very low | 30.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | | -134.6 | 171.1 | 110.8 | 39.1 | -31.1 | 0 | 0 | 0 | 116.1 | | |
| 729 | S | 31.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -68.8 | 162 | 179 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 730 | S | 29.8 | Very low | 29.6 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -150.8 | -173.7 | 17.5 | 65.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 731 | S | 29.9 | Very low | 29.6 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | -154 | 159.8 | 9.4 | -137.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 732 | P | 35.2 | Very low | 29.5 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -122.3 | 139.6 | -138.9 | 39.4 | -29.4 | 0 | 0 | 0 | 120 | | |
| 733 | L | 26.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | | 62 | 129.6 | 128.3 | -56.5 | 171.8 | 0 | 0 | 0 | 119.8 | | |
| 734 | L | 27.9 | Very low | 29.3 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | cis | 79 | 100.2 | 25.3 | -95.6 | 81.8 | 0 | 0 | 0 | 118.9 | | |
| 735 | S | 26.2 | Very low | 29 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | | 66.9 | 120.6 | 116.1 | 72.1 | 0 | 0 | 0 | 0 | 124 | | |
| 736 | S | 26.1 | Very low | 28.9 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | | 70.1 | 131.5 | 125.7 | 66.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 737 | S | 26.2 | Very low | 29 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | 77.1 | 142.4 | 154.3 | 82 | 0 | 0 | 0 | 0 | 119.2 | | |
| 738 | K | 27.7 | Very low | 28.9 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | | | trans | -156.5 | 140.5 | 158.8 | -124.1 | -179.6 | -176.5 | -178.8 | 0 | 109.3 | | |
| 739 | L | 24.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 131 Ų | 131 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | -116.9 | 150.3 | 172.8 | -160.2 | 80.5 | 0 | 0 | 0 | 109.3 | | |
| 740 | S | 27.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | 58 | 138.1 | 161.6 | 43.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 741 | Q | 29.9 | Very low | 28.5 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -76.5 | 158.4 | 158.2 | -63.8 | 169.5 | -12.6 | 0 | 0 | 108.7 | | |
| 742 | I | 30.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | | -179.4 | 148 | 81.2 | -87 | 174.9 | 0 | 0 | 0 | 106.2 | | |
| 743 | S | 26.6 | Very low | 28.2 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | cis | -169.7 | -176.1 | -22 | 67.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 744 | L | 26.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | 68.4 | 140.3 | 173.6 | -61.6 | 165.5 | 0 | 0 | 0 | 115.8 | | |
| 745 | S | 27 | Very low | 28.4 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | cis | -162.7 | 140.4 | -7.8 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 746 | Q | 30.6 | Very low | 28.6 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | 65.8 | 141.9 | 160.8 | -61.2 | 172.7 | 10.3 | 0 | 0 | 117.6 | | |
| 747 | S | 29.1 | Very low | 28.9 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | cis | -163.3 | 149.3 | -14.1 | -94.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 748 | Q | 30.6 | Very low | 29.9 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | 66.9 | 148 | 163.6 | -70.5 | 159.9 | -95.6 | 0 | 0 | 116.7 | | |
| 749 | E | 28.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | cis | -155.8 | 165.5 | 9.9 | -135.4 | 160.1 | -129.3 | 0 | 0 | 113.8 | | |
| 750 | I | 33.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | 77.3 | 95.5 | 158.8 | -57.9 | 164.9 | 0 | 0 | 0 | 120.5 | | |
| 751 | S | 28.4 | Very low | 30.7 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | 13.5 | 155 | 132.8 | 59.5 | 0 | 0 | 0 | 0 | 124 | | |
| 752 | D | 27.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | cis | -172 | 145.7 | -14.6 | -106 | -49.6 | 0 | 0 | 0 | 115 | | |
| 753 | S | 30.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | trans | 68.6 | 161.8 | 153.3 | 85.2 | 0 | 0 | 0 | 0 | 121 | | |
| 754 | Y | 28.9 | Very low | 31.2 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | cis | -160.1 | 152.5 | 6.5 | -126.2 | -47.4 | 0 | 0 | 0 | 114.2 | | |
| 755 | C | 28.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 69.8 | 156.6 | 153.2 | -81.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 756 | A | 32.1 | Very low | 31.8 | Very low | 85 Ų | 85 | 154.8 Ų | 154.8 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | | | cis | -161.4 | 141.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 757 | R | 31.8 | Very low | 31.7 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | | 61.4 | 146.4 | 91.5 | -106 | -171.3 | -166.1 | 178.3 | 11.7 | 117.5 | | |
| 758 | P | 47 | Very low | 31.7 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | | -138.3 | 170.4 | 62.5 | 41.1 | -23.6 | 0 | 0 | 0 | 115 | | |
| 759 | N | 28.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | | -165.7 | 127.1 | 71.4 | -134.7 | -19.3 | 0 | 0 | 0 | 111.6 | | |
| 760 | R | 35.6 | Very low | 31.8 | Very low | 210 Ų | 210 | 155 Ų | 155 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -162.5 | 137.1 | 177.2 | -80.2 | -166.5 | 179.3 | 179.7 | -0.3 | 113.8 | | |
| 761 | K | 31.9 | Very low | 31.8 | Very low | 195 Ų | 195 | 154.1 Ų | 154.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -158.4 | 166.9 | 167.4 | -78.1 | -174.5 | -176.7 | 167.8 | 0 | 109 | | |
| 762 | P | 38.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -135.7 | 151.8 | -16.5 | 32.8 | -13.3 | 0 | 0 | 0 | 116.9 | | |
| 763 | K | 31.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 152.9 Ų | 152.9 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | 55.6 | 140.7 | 140.5 | -60 | 173.4 | -177.5 | 177.4 | 0 | 120.8 | | |
| 764 | R | 28.4 | Very low | 32.4 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | cis | -153.9 | 144.8 | -8.5 | -118.4 | 168.9 | -175.4 | 179.6 | -2.4 | 107.8 | | |
| 765 | Y | 31.8 | Very low | 32.5 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -146.6 | 177.3 | -166.4 | -134.9 | -103.7 | 0 | 0 | 0 | 112.8 | | |
| 766 | R | 32.9 | Very low | 32.9 | Very low | 197 Ų | 197 | 149.5 Ų | 149.5 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -48.1 | 153.7 | -178.1 | -69 | 176.1 | 171.2 | 164.3 | -4.8 | 116.7 | | |
| 767 | N | 28.7 | Very low | 32.9 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 54.9 | 126.6 | 138 | -63.6 | 30.3 | 0 | 0 | 0 | 119.3 | | |
| 768 | S | 28.9 | Very low | 32.8 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | | 83.7 | 125.8 | 59.8 | -55 | 0 | 0 | 0 | 0 | 114.7 | | |
| 769 | R | 29.7 | Very low | 31.9 | Very low | 255 Ų | 255 | 146.7 Ų | 146.7 | 96% | 0.962 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 153.1 | 160.9 | -146 | 170.7 | -172.5 | 176.5 | 1.8 | 117 | | |
| 770 | A | 33.4 | Very low | 32.1 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -84.6 | 153 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 771 | P | 31.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | trans | -87 | 157 | 153.9 | 36.5 | -31.4 | 0 | 0 | 0 | 111 | | |
| 772 | A | 30.6 | Very low | 31.6 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | cis | -161.8 | 151.8 | -17.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 773 | P | 34.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -92.3 | 159.1 | 163.3 | 37.2 | -32.9 | 0 | 0 | 0 | 111.6 | | |
| 774 | P | 35.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -110.7 | 151.4 | 162.6 | 36.5 | -28.2 | 0 | 0 | 0 | 113.1 | | |
| 775 | T | 32.6 | Very low | 31.5 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 66 | 156.2 | 161.1 | 35.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 776 | P | 36.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | cis | -104.7 | 150.1 | 15.3 | 39 | -33.4 | 0 | 0 | 0 | 117.8 | | |
| 777 | T | 32 | Very low | 31.5 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -38.2 | 141.8 | 150.4 | -42.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 778 | T | 29.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | | -161.3 | 134.7 | 76.8 | -61.6 | 0 | 0 | 0 | 0 | 114 | | |
| 779 | T | 28.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | 32.2 | 105.7 | 155.4 | -48.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 780 | I | 30.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | | 86.5 | 134.6 | 57.2 | -67.2 | 166.3 | 0 | 0 | 0 | 113.7 | | |
| 781 | M | 27.4 | Very low | 31.2 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | | | trans | 77.7 | 143.6 | 179.6 | -55.2 | -110.4 | 176.6 | 0 | 0 | 114.9 | | |
| 782 | T | 30.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | cis | -147.3 | 146.7 | 1 | -6.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 783 | T | 31 | Very low | 31.4 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -37 | 150.8 | 167.1 | 54.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 784 | V | 33.8 | Very low | 31 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | | | trans | -156.1 | 165.6 | 157.1 | 133.7 | 0 | 0 | 0 | 0 | 109 | | |
| 785 | T | 32.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | | -153.4 | 158 | -92.7 | 22.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 786 | N | 36.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 75.9 | 151.8 | 155.8 | -64.1 | -12.4 | 0 | 0 | 0 | 123 | | |
| 787 | S | 26.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -72.9 | 173 | 158.8 | -18.9 | 0 | 0 | 0 | 0 | 111 | | |
| 788 | P | 37.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -145.2 | 161.4 | 39.2 | 45 | -25.9 | 0 | 0 | 0 | 119.1 | | |
| 789 | T | 27.9 | Very low | 30.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | 51.7 | 155.6 | 138.8 | 59.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 790 | T | 26.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 72.7 | 58.4 | 146.8 | 40 | 0 | 0 | 0 | 0 | 119.6 | | |
| 791 | S | 24.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -158.4 | 153.3 | 133.5 | 55.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 792 | L | 35.9 | Very low | 31.2 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | cis | -49.8 | 175.7 | -14.7 | -73.8 | 169.3 | 0 | 0 | 0 | 114.2 | | |
| 793 | P | 29.6 | Very low | 31.3 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | cis | -113.2 | -165.7 | 7 | 24.3 | 1.4 | 0 | 0 | 0 | 111.3 | | |
| 794 | L | 25.6 | Very low | 31.1 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | -154.6 | 144.4 | 39.1 | -76 | 154.3 | 0 | 0 | 0 | 112.2 | P796 | L794-P796 VanDerWaalsContact O-CD 3.22Å; L794-P796 WeakPolarHBondContact O-CD 3.18Å |
| 795 | S | 42.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -81 | 116.5 | 151.2 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 796 | P | 32.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.1 | 142.7 | 31.6 | -28.6 | 0 | 0 | 0 | 109.2 | L794 | L794-P796 VanDerWaalsContact O-CD 3.22Å; L794-P796 WeakPolarHBondContact O-CD 3.18Å |
| 797 | S | 26.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 167.6 | 157.4 | 44 | 0 | 0 | 0 | 0 | 112.5 | | |
| 798 | M | 25.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | 71.5 | 94.8 | 171 | -43.3 | -172.6 | 75.4 | 0 | 0 | 113.6 | | |
| 799 | N | 30.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | | -162.7 | 152.5 | 60.1 | -81.2 | -48.8 | 0 | 0 | 0 | 112.7 | | |
| 800 | Q | 35 | Very low | 33.7 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 51.1 | 122 | 154.7 | -60.2 | 163.9 | 5.3 | 0 | 0 | 118.3 | | |
| 801 | S | 32.2 | Very low | 34.2 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | cis | -165.5 | 119.6 | -10 | 42.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 802 | V | 33.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | | | | 64.3 | 103.8 | 101 | 175 | 0 | 0 | 0 | 0 | 112.4 | | |
| 803 | I | 31.2 | Very low | 34.4 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | | 74 | 127.2 | 75.6 | -71.2 | 164.3 | 0 | 0 | 0 | 110.5 | | |
| 804 | E | 27.5 | Very low | 34.5 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | cis | -155.2 | -157.1 | 7.6 | -120.7 | -171.7 | 137 | 0 | 0 | 111.4 | | |
| 805 | P | 40.7 | Very low | 34.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -108.3 | -165.8 | -162.5 | 47.3 | -40.7 | 0 | 0 | 0 | 115 | | |
| 806 | P | 39.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | cis | -117.7 | -114.7 | -13.9 | 22.6 | 3.8 | 0 | 0 | 0 | 115.2 | | |
| 807 | P | 47.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | | -122.9 | -155.6 | -121.7 | 48.6 | -30.3 | 0 | 0 | 0 | 115.3 | | |
| 808 | P | 50.2 | Low | 34.9 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | | -128.6 | -144.7 | -118.8 | 40.9 | -16.1 | 0 | 0 | 0 | 111.8 | | |
| 809 | P | 41.9 | Very low | 35.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | | | cis | -132.4 | -174.6 | -19.8 | 41.6 | -24.5 | 0 | 0 | 0 | 114.6 | | |
| 810 | R | 30.7 | Very low | 35.6 | Very low | 236 Ų | 236 | 137.5 Ų | 137.5 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | | | trans | 150.9 | 144.8 | 138.5 | -86.1 | 175.2 | -173.3 | -105.4 | 1.1 | 115.3 | | |
| 811 | R | 34.9 | Very low | 35.5 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | | | trans | 170.3 | 167.6 | 135.7 | -96.4 | -177 | -173.8 | -178.1 | 3.4 | 109.9 | | |
| 812 | S | 34.5 | Very low | 35.5 | Very low | 86 Ų | 86 | 137 Ų | 137 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | | | cis | 178.8 | 150.8 | -46.7 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 813 | M | 30.4 | Very low | 35.3 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 97% | 0.97 | 72% | 0.722 | S | S | * | * | | | trans | -115.7 | 161.1 | 148.6 | -89.2 | -65 | -168.7 | 0 | 0 | 109.6 | | |
| 814 | R | 31.7 | Very low | 35.3 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 59% | 0.592 | 72% | 0.724 | S | S | * | * | | | trans | -144.4 | 153.5 | -145.8 | -171.4 | -173.8 | -174.6 | -171 | 2.7 | 113.1 | N816 | R814-N816 HydrophobicContact CG-CB 4.24Å; R814-N816 VanDerWaalsContact NE-CG 3.34Å; R814-N816 PolarHBondContact NE-OD1 2.83Å; R814-N816 VanDerWaalsContact NH2-CG 3.27Å; R814-N816 PolarHBondContact NH2-ND2 3.4Å; R814-N816 PolarHBondContact NH2-OD1 2.7Å |
| 815 | N | 33.1 | Very low | 35.4 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | | | trans | -175.2 | 112.8 | 139.4 | -84.3 | -20.8 | 0 | 0 | 0 | 105.2 | | |
| 816 | N | 33.7 | Very low | 35 | Very low | 74 Ų | 74 | 132 Ų | 132 | 40% | 0.396 | 71% | 0.714 | S | S | . | * | | | cis | 59.7 | 146.6 | 45.9 | -108.8 | 78.7 | 0 | 0 | 0 | 112.7 | R814 D818 | R814-N816 HydrophobicContact CG-CB 4.24Å; R814-N816 VanDerWaalsContact NE-CG 3.34Å; R814-N816 PolarHBondContact NE-OD1 2.83Å; R814-N816 VanDerWaalsContact NH2-CG 3.27Å; R814-N816 PolarHBondContact NH2-ND2 3.4Å; R814-N816 PolarHBondContact NH2-OD1 2.7Å; N816-D818 WeakPolarHBondContact ND2-CA 3.39Å |
| 817 | P | 39.3 | Very low | 34.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | cis | -65.1 | 167.7 | 9.9 | 26.7 | -37.4 | 0 | 0 | 0 | 116.8 | | |
| 818 | D | 28.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | | | cis | -150 | -161.8 | -4.2 | -132 | -52.5 | 0 | 0 | 0 | 114.9 | N816 | N816-D818 WeakPolarHBondContact ND2-CA 3.39Š|
| 819 | T | 33.5 | Very low | 33.6 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | | | trans | -155 | 151.8 | 179.9 | 23.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 820 | P | 37.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | | | | -156.5 | 178.9 | 94.5 | 43.9 | -26 | 0 | 0 | 0 | 117.3 | | |
| 821 | H | 33.7 | Very low | 33.6 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | | | trans | 67.7 | 115.9 | 159.6 | -68.6 | -54.3 | 0 | 0 | 0 | 118.6 | | |
| 822 | T | 32.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | | | | 62.7 | 139.4 | 72.4 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 823 | S | 28.4 | Very low | 33.2 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | | | cis | -176.7 | 168.1 | -17.4 | 48.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 824 | D | 31.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | | | trans | 64.6 | 161.9 | 162.2 | -41.2 | -48.7 | 0 | 0 | 0 | 116.7 | | |
| 825 | S | 29.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | | | cis | -155.9 | 166.4 | -37.8 | 58 | 0 | 0 | 0 | 0 | 110.3 | | |
| 826 | D | 31.4 | Very low | 33 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | | | trans | 73.8 | 151.7 | 154.5 | -49.5 | -48 | 0 | 0 | 0 | 123 | | |
| 827 | M | 37.4 | Very low | 32.8 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | | | trans | 75.2 | 105.9 | 162.3 | -49.1 | -46.7 | 173.7 | 0 | 0 | 121.6 | | |
| 828 | D | 37.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | trans | 72.4 | 129.6 | 132.3 | -56.7 | -27.7 | 0 | 0 | 0 | 123.3 | | |
| 829 | D | 33.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | -64.1 | 167 | 158.2 | -120.8 | -13.1 | 0 | 0 | 0 | 111 | | |
| 830 | P | 39.8 | Very low | 33 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | | | cis | -137.2 | 167.9 | 4.9 | 39.6 | -20.9 | 0 | 0 | 0 | 117.4 | | |
| 831 | D | 32.8 | Very low | 33 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | | | trans | 33 | 114.7 | 150.7 | -98.5 | -28 | 0 | 0 | 0 | 120.2 | | |
| 832 | Y | 29.8 | Very low | 33.3 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | | | | -171.6 | 139.6 | 114 | -119.6 | -123.4 | 0 | 0 | 0 | 115 | | |
| 833 | K | 30.7 | Very low | 33.5 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 44% | 0.443 | 68% | 0.678 | S | S | . | * | | | trans | 26.2 | 129.8 | 152.3 | -62.9 | -175 | -173.7 | -177.9 | 0 | 123.5 | E858 | K833-E858 IonicContact NZ-OE1 3.67Å; K833-E858 PolarHBondContact NZ-OE1 2.82Å; K833-E858 IonicContact NZ-OE2 2.68Å; K833-E858 PolarHBondContact NZ-OE2 3.24Å |
| 834 | N | 32.3 | Very low | 33.8 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 40% | 0.401 | 69% | 0.688 | S | S | . | * | | | trans | 72.5 | 126.2 | 131.5 | -76.5 | -20.9 | 0 | 0 | 0 | 122.6 | N856 K857 | N834-N856 PolarHBondContact ND2-O 2.78Å; N834-K857 PolarHBondContact ND2-O 2.88Å |
| 835 | L | 31.2 | Very low | 33.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 48% | 0.482 | 68% | 0.68 | S | S | . | * | | | trans | 59.3 | 93.8 | 131.8 | -59.2 | 165.5 | 0 | 0 | 0 | 119.3 | M855 N856 | L835-M855 HydrophobicContact CD1-CB 3.86Å; L835-M855 WeakPolarHBondContact CD1-O 3.4Å; L835-M855 HydrophobicContact CD2-CB 3.96Å; L835-M855 HydrophobicContact CD2-CE 4.14Å; L835-M855 HydrophobicContact CD2-SD 4.21Å; L835-N856 WeakPolarHBondContact CD1-O 3.47Å |
| 836 | G | 28.6 | Very low | 33.9 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | | | trans | -75.8 | -164.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 837 | K | 30 | Very low | 33.8 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | | | trans | -166.9 | 114.2 | 160.4 | -113.4 | 163.9 | -176 | 173.9 | 0 | 115.3 | | |
| 838 | S | 29 | Very low | 33.3 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | | | trans | 65.1 | -170 | 132.6 | -51.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 839 | R | 34.4 | Very low | 33.1 | Very low | 212 Ų | 212 | 131 Ų | 131 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | | | trans | 90.3 | 156.2 | 171.1 | -42.9 | 176.9 | 179.5 | -162.1 | 0.5 | 113.4 | | |
| 840 | Q | 42.7 | Very low | 33 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | | | cis | -139.3 | 178.3 | 18.7 | -63.2 | -175.3 | 3.8 | 0 | 0 | 113.9 | | |
| 841 | I | 36 | Very low | 32.5 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 44% | 0.441 | 70% | 0.7 | S | S | . | * | | | cis | -164.6 | 148.4 | -41.1 | -85.8 | 159.5 | 0 | 0 | 0 | 103.3 | Q843 | I841-Q843 HydrophobicContact CG2-CG 4.26Š|
| 842 | H | 41.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | | | | 175.4 | 117.5 | 108.4 | -91.1 | -79.3 | 0 | 0 | 0 | 106.9 | | |
| 843 | Q | 35.4 | Very low | 32.6 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | | | | 76.6 | 137.1 | 83.7 | -78.2 | -176.7 | -4.2 | 0 | 0 | 112.5 | I841 | I841-Q843 HydrophobicContact CG2-CG 4.26Š|
| 844 | V | 34.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | | | cis | -163.7 | 165 | -0.3 | 92.4 | 0 | 0 | 0 | 0 | 108 | | |
| 845 | S | 32.6 | Very low | 32.3 | Very low | 85 Ų | 85 | 128 Ų | 128 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | | | cis | -158 | 178.7 | -5.1 | -152.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 846 | D | 31 | Very low | 32.3 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | 41.5 | 86.3 | 147.3 | -59.6 | -51.7 | 0 | 0 | 0 | 121.8 | | |
| 847 | K | 29.5 | Very low | 32.6 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | | | | 177 | 134.1 | 101.1 | -94.9 | 163.6 | -175.9 | 171.1 | 0 | 114.5 | | |
| 848 | S | 27.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | | | trans | 71.7 | 150.9 | 155.2 | 78 | 0 | 0 | 0 | 0 | 121 | | |
| 849 | S | 32.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | 78.4 | 117 | 164.7 | 71.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 850 | S | 32.4 | Very low | 33 | Very low | 119 Ų | 119 | 122 Ų | 122 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | | | trans | 47.8 | 102.3 | 149.5 | 47.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 851 | S | 29.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 87% | 0.867 | 65% | 0.654 | S | S | * | * | | | trans | -94.4 | 156.8 | 170.8 | -48.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 852 | P | 34.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | | | trans | -108.4 | 172.6 | 178.6 | 41.1 | -35.8 | 0 | 0 | 0 | 115.6 | | |
| 853 | N | 27.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 116.4 Ų | 116.4 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | | | trans | 54.5 | 107.6 | 148.2 | -71.3 | -13.1 | 0 | 0 | 0 | 123.2 | | |
| 854 | S | 28.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | | | | 80.5 | 142 | 119.6 | 77.5 | 0 | 0 | 0 | 0 | 124 | | |
| 855 | M | 27.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 116 Ų | 116 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | | | trans | 75 | 97.3 | 166 | -59.6 | -169.8 | 69.5 | 0 | 0 | 120.7 | L835 | L835-M855 HydrophobicContact CD1-CB 3.86Å; L835-M855 WeakPolarHBondContact CD1-O 3.4Å; L835-M855 HydrophobicContact CD2-CB 3.96Å; L835-M855 HydrophobicContact CD2-CE 4.14Å; L835-M855 HydrophobicContact CD2-SD 4.21Å |
| 856 | N | 31.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 54% | 0.535 | 65% | 0.652 | S | S | . | * | | | | 56.7 | 110.3 | 122.9 | -58.6 | -9.7 | 0 | 0 | 0 | 123.6 | N834 L835 | N834-N856 PolarHBondContact ND2-O 2.78Å; L835-N856 WeakPolarHBondContact CD1-O 3.47Å |
| 857 | K | 34.8 | Very low | 33 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | | | | 55.1 | 136.6 | 119.3 | -72.2 | 169.7 | 146.8 | -71.5 | 0 | 120 | N834 | N834-K857 PolarHBondContact ND2-O 2.88Š|
| 858 | E | 33.4 | Very low | 33.2 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 41% | 0.407 | 63% | 0.632 | S | S | . | * | | | cis | -165.2 | 145.1 | 26 | -127.4 | 156.1 | -112.6 | 0 | 0 | 115.8 | K833 | K833-E858 IonicContact NZ-OE1 3.67Å; K833-E858 PolarHBondContact NZ-OE1 2.82Å; K833-E858 IonicContact NZ-OE2 2.68Å; K833-E858 PolarHBondContact NZ-OE2 3.24Å |
| 859 | E | 36 | Very low | 33.5 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | | | trans | 46.8 | 132.4 | 132.5 | -63.2 | 173.7 | -164.3 | 0 | 0 | 126.4 | I872 | E859-I872 HydrophobicContact CB-CD1 3.85Å; E859-I872 HydrophobicContact CB-CG1 4.25Å; E859-I872 HydrophobicContact CG-CD1 3.78Å; E859-I872 HydrophobicContact CG-CG1 4.23Å |
| 860 | E | 32.4 | Very low | 33.7 | Very low | 85 Ų | 85 | 108.2 Ų | 108.2 | 40% | 0.397 | 61% | 0.611 | S | S | . | * | | | | 178.5 | -173.1 | 117.4 | -107.7 | -70 | 92.1 | 0 | 0 | 113.4 | R871 I872 | E860-R871 WeakPolarHBondContact O-CB 3.38Å; E860-R871 VanDerWaalsContact O-CD 3.29Å; E860-R871 WeakPolarHBondContact O-CD 3.34Å; E860-R871 WeakPolarHBondContact O-CG 3Å; E860-R871 PolarHBondContact O-NE 3.11Å; E860-I872 VanDerWaalsContact O-CB 3.24Å; E860-I872 WeakPolarHBondContact O-CB 3.45Å; E860-I872 WeakPolarHBondContact O-CG1 3.31Å |
| 861 | L | 36.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 109.3 Ų | 109.3 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | | | trans | -75.8 | 159.4 | -165 | -71 | 164.5 | 0 | 0 | 0 | 121.6 | R871 I872 | L861-R871 WeakPolarHBondContact O-CD 3.4Å; L861-R871 VanDerWaalsContact O-CZ 3.24Å; L861-R871 PolarHBondContact O-NE 3.4Å; L861-R871 PolarHBondContact O-NH1 3.1Å; L861-I872 HydrophobicContact CB-CG2 4.26Å; L861-I872 HydrophobicContact CD2-CG2 3.62Å; L861-I872 HydrophobicContact CG-CG2 3.86Å |
| 862 | K | 37.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | | | cis | -156.2 | -150.5 | -21.7 | -134.2 | -166.9 | -174 | -50.6 | 0 | 118.2 | S870 R871 I872 | K862-S870 CarbonylContact C-O 3.56Å; K862-S870 CarbonylContact O-C 3.59Å; K862-S870 PolarHBondContact O-OG 3.13Å; K862-R871 VanDerWaalsContact CA-O 3.31Å; K862-R871 WeakPolarHBondContact CA-O 3.43Å; K862-R871 WeakPolarHBondContact CG-O 3.11Å; K862-I872 VanDerWaalsContact CE-O 3.24Å; K862-I872 WeakPolarHBondContact CE-O 3.23Å; K862-I872 HydrophobicContact CG-CG2 4.44Å; K862-I872 PolarHBondContact NZ-O 3.47Å |
| 863 | D | 31.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 104.9 Ų | 104.9 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | | | trans | -96.3 | 152.7 | -157.6 | -42.6 | -56.3 | 0 | 0 | 0 | 118.5 | | |
| 864 | D | 36.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | | | | -174.9 | 158.8 | 124.3 | -134 | -30.1 | 0 | 0 | 0 | 113.2 | N867 | D864-N867 WeakPolarHBondContact O-CB 2.88Å; D864-N867 PolarHBondContact O-ND2 3.45Å |
| 865 | N | 28.5 | Very low | 33.1 | Very low | 137 Ų | 137 | 103.8 Ų | 103.8 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -76.9 | 163.6 | -163 | -127.7 | 0.1 | 0 | 0 | 0 | 117.2 | N867 | N865-N867 VanDerWaalsContact C-CG 3.5Å; N865-N867 VanDerWaalsContact C-ND2 3.31Å; N865-N867 PolarHBondContact O-ND2 2.95Å; N865-N867 VanDerWaalsContact O-ND2 3.15Å; N865-N867 PolarHBondContact OD1-N 3.11Å |
| 866 | P | 40.5 | Very low | 33 | Very low | 117 Ų | 117 | 106.1 Ų | 106.1 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | S | Bend | cis | -94.5 | 53 | 9.1 | 40.6 | -39.2 | 0 | 0 | 0 | 113.8 | | |
| 867 | N | 42 | Very low | 33.1 | Very low | 83 Ų | 83 | 109.8 Ų | 109.8 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | | | trans | -118.1 | 148.5 | -130.1 | -89.5 | -20.4 | 0 | 0 | 0 | 113.5 | D864 N865 | D864-N867 WeakPolarHBondContact O-CB 2.88Å; D864-N867 PolarHBondContact O-ND2 3.45Å; N865-N867 VanDerWaalsContact C-CG 3.5Å; N865-N867 VanDerWaalsContact C-ND2 3.31Å; N865-N867 PolarHBondContact O-ND2 2.95Å; N865-N867 VanDerWaalsContact O-ND2 3.15Å; N865-N867 PolarHBondContact OD1-N 3.11Å |
| 868 | C | 35.2 | Very low | 33.1 | Very low | 106 Ų | 106 | 109.7 Ų | 109.7 | 72% | 0.716 | 56% | 0.561 | S | S | * | * | S | Bend | cis | 58.9 | 72.3 | 33.3 | -55.7 | 0 | 0 | 0 | 0 | 113 | | |
| 869 | T | 33.2 | Very low | 32.7 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | | | trans | 77.4 | 144.3 | -167.7 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 870 | S | 35.8 | Very low | 32.3 | Very low | 54 Ų | 54 | 111.7 Ų | 111.7 | 38% | 0.378 | 56% | 0.563 | S | S | . | * | | | cis | -162.4 | 166.2 | -16.8 | 46 | 0 | 0 | 0 | 0 | 112.4 | K862 | K862-S870 CarbonylContact C-O 3.56Å; K862-S870 CarbonylContact O-C 3.59Å; K862-S870 PolarHBondContact O-OG 3.13Å |
| 871 | R | 29.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 115.4 Ų | 115.4 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | | | trans | 64.9 | 106.9 | 144.4 | -78.1 | 178.5 | 103.8 | -164.6 | 12.6 | 119.8 | E860 L861 K862 | E860-R871 WeakPolarHBondContact O-CB 3.38Å; E860-R871 VanDerWaalsContact O-CD 3.29Å; E860-R871 WeakPolarHBondContact O-CD 3.34Å; E860-R871 WeakPolarHBondContact O-CG 3Å; E860-R871 PolarHBondContact O-NE 3.11Å; L861-R871 WeakPolarHBondContact O-CD 3.4Å; L861-R871 VanDerWaalsContact O-CZ 3.24Å; L861-R871 PolarHBondContact O-NE 3.4Å; L861-R871 PolarHBondContact O-NH1 3.1Å; K862-R871 VanDerWaalsContact CA-O 3.31Å; K862-R871 WeakPolarHBondContact CA-O 3.43Å; K862-R871 WeakPolarHBondContact CG-O 3.11Å |
| 872 | I | 30.4 | Very low | 31.5 | Very low | 46 Ų | 46 | 120 Ų | 120 | 24% | 0.236 | 59% | 0.593 | C | S | . | * | | | trans | 81.6 | 155 | 131.4 | -113.4 | -110.5 | 0 | 0 | 0 | 125.3 | E859 E860 L861 K862 | E859-I872 HydrophobicContact CB-CD1 3.85Å; E859-I872 HydrophobicContact CB-CG1 4.25Å; E859-I872 HydrophobicContact CG-CD1 3.78Å; E859-I872 HydrophobicContact CG-CG1 4.23Å; E860-I872 VanDerWaalsContact O-CB 3.24Å; E860-I872 WeakPolarHBondContact O-CB 3.45Å; E860-I872 WeakPolarHBondContact O-CG1 3.31Å; L861-I872 HydrophobicContact CB-CG2 4.26Å; L861-I872 HydrophobicContact CD2-CG2 3.62Å; L861-I872 HydrophobicContact CG-CG2 3.86Å; K862-I872 VanDerWaalsContact CE-O 3.24Å; K862-I872 WeakPolarHBondContact CE-O 3.23Å; K862-I872 HydrophobicContact CG-CG2 4.44Å; K862-I872 PolarHBondContact NZ-O 3.47Å |
| 873 | N | 27.2 | Very low | 31 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | | | trans | 60.8 | 135.8 | 166.2 | -94.1 | -40.5 | 0 | 0 | 0 | 124 | | |
| 874 | H | 27.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | | | trans | 43.3 | 99.6 | 159 | -100.9 | -103.8 | 0 | 0 | 0 | 118.3 | | |
| 875 | L | 27.4 | Very low | 30.2 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 34% | 0.34 | 61% | 0.614 | S | S | . | * | | | | -168.4 | 90.5 | 112.6 | -102.8 | 157.8 | 0 | 0 | 0 | 113.1 | Q877 N878 R879 K880 | L875-Q877 CarbonylContact O-C 3.3Å; L875-N878 PolarHBondContact O-N 3.02Å; L875-R879 HydrophobicContact CD2-CB 4.49Å; L875-K880 HydrophobicContact CD1-CD 3.93Å; L875-K880 HydrophobicContact CD1-CG 4.45Å |
| 876 | Y | 25.9 | Very low | 30.1 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 65% | 0.647 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 56.1 | -159.8 | 158.7 | -78.6 | -121.7 | 0 | 0 | 0 | 114.2 | R879 | Y876-R879 HydrophobicContact CD1-CG 4.35Å; Y876-R879 HydrophobicContact CG-CG 4.23Å |
| 877 | Q | 34.5 | Very low | 29.5 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -55.1 | 134.4 | 132.7 | -72.8 | 178.4 | -22 | 0 | 0 | 106.7 | L875 R879 | L875-Q877 CarbonylContact O-C 3.3Å; Q877-R879 WeakPolarHBondContact O-CB 3.29Å; Q877-R879 PolarHBondContact O-N 2.8Å |
| 878 | N | 33.3 | Very low | 29 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | | | trans | -55.2 | 115.3 | 163.6 | -73.3 | -60.6 | 0 | 0 | 0 | 106.9 | L875 K880 | L875-N878 PolarHBondContact O-N 3.02Å; N878-K880 WeakPolarHBondContact OD1-CE 3.27Å; N878-K880 PolarHBondContact OD1-NZ 2.75Å |
| 879 | R | 25.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 47% | 0.468 | 64% | 0.636 | S | S | . | * | | | cis | 41.5 | 85.8 | 19.9 | -76.6 | -152.3 | 173.9 | -170 | -0.6 | 114 | L875 Y876 Q877 | L875-R879 HydrophobicContact CD2-CB 4.49Å; Y876-R879 HydrophobicContact CD1-CG 4.35Å; Y876-R879 HydrophobicContact CG-CG 4.23Å; Q877-R879 WeakPolarHBondContact O-CB 3.29Å; Q877-R879 PolarHBondContact O-N 2.8Å |
| 880 | K | 27.6 | Very low | 28.4 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 54% | 0.543 | 64% | 0.638 | S | S | . | * | | | | -161.9 | 131.6 | 115.7 | -96.8 | 147.3 | -77.9 | -174.2 | 0 | 104.8 | L875 N878 | L875-K880 HydrophobicContact CD1-CD 3.93Å; L875-K880 HydrophobicContact CD1-CG 4.45Å; N878-K880 WeakPolarHBondContact OD1-CE 3.27Å; N878-K880 PolarHBondContact OD1-NZ 2.75Å |
| 881 | Q | 28.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | | | cis | -129.1 | 147.5 | 7.3 | -94.9 | 116.4 | -6.6 | 0 | 0 | 110.3 | | |
| 882 | Y | 24.9 | Very low | 27.9 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 73% | 0.729 | 67% | 0.665 | S | S | * | * | | | | 54 | 126.2 | 96.3 | -85.1 | -92.5 | 0 | 0 | 0 | 116.6 | | |
| 883 | H | 25.6 | Very low | 27.9 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | | | trans | 65.3 | 116.5 | 171.1 | -78.6 | -68.5 | 0 | 0 | 0 | 120.5 | | |
| 884 | S | 25.4 | Very low | 28.1 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | | | trans | 58.1 | 136.4 | 132.4 | -53.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 885 | N | 27 | Very low | 28.2 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | trans | 73 | 130.5 | 160.4 | -75.8 | 56.1 | 0 | 0 | 0 | 119.3 | | |
| 886 | D | 26.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | trans | 63.8 | 130.6 | 135.5 | -56.7 | -38 | 0 | 0 | 0 | 123.1 | | |
| 887 | L | 26.7 | Very low | 28.5 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | 51.6 | 115.6 | 137.4 | -70.9 | 160.3 | 0 | 0 | 0 | 120.2 | | |
| 888 | N | 32.3 | Very low | 28.5 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | 41.5 | 105.7 | 132.4 | -61.2 | -9.3 | 0 | 0 | 0 | 118.4 | | |
| 889 | K | 30.1 | Very low | 28.5 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | | | trans | -101.5 | 95.7 | 151.9 | -75.4 | -160.1 | 172 | -170.5 | 0 | 112.2 | | |
| 890 | S | 25.1 | Very low | 29.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -72.9 | 133.6 | 134.1 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 891 | M | 26 | Very low | 29.5 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 44.5 | 149.5 | 152.9 | -72.2 | -72.3 | -100.8 | 0 | 0 | 123.3 | | |
| 892 | T | 29.3 | Very low | 29.7 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | 71.8 | 117.1 | 152.1 | 42.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 893 | S | 28.8 | Very low | 30 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | | 69.1 | 117.6 | 127.8 | -56.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 894 | I | 31.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 134 Ų | 134 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | | 62.8 | 91.9 | 123.4 | -53.9 | 170.8 | 0 | 0 | 0 | 119.6 | | |
| 895 | Q | 30.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | | 74.9 | 139.5 | 115.3 | -150.1 | 160.6 | -34.6 | 0 | 0 | 123.4 | | |
| 896 | T | 31.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | | | trans | 78.5 | 91.7 | 156.3 | 23.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 897 | T | 28.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | | 49.8 | 119 | 119.3 | -39.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 898 | I | 33.9 | Very low | 31.3 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | | | | -177.9 | 166.8 | 127 | -93.7 | 159.4 | 0 | 0 | 0 | 109.4 | | |
| 899 | A | 33.1 | Very low | 31.2 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | -133.6 | -162.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 900 | P | 40.5 | Very low | 31.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | | -134.8 | -176.3 | -119.7 | 39.8 | -18 | 0 | 0 | 0 | 117.4 | | |
| 901 | S | 34.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -163.8 | 131.6 | 166.7 | 61.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 902 | H | 32.9 | Very low | 31.4 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | | | trans | 52.4 | 154.6 | 135.2 | -76.4 | -105.9 | 0 | 0 | 0 | 122.5 | | |
| 903 | L | 29.6 | Very low | 31.3 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | cis | -171.2 | 145.6 | -23.1 | -162.5 | 76 | 0 | 0 | 0 | 111.3 | | |
| 904 | E | 30.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | 67.4 | 146.9 | 145.2 | -91.8 | 171.4 | -138.8 | 0 | 0 | 128.4 | | |
| 905 | Q | 33.4 | Very low | 31.5 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | 78 | 99.9 | 141.7 | -74.5 | -173.8 | 63.9 | 0 | 0 | 125.3 | | |
| 906 | N | 30.2 | Very low | 31.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | | 63.4 | 138.8 | 108.9 | -95.2 | -14 | 0 | 0 | 0 | 125.5 | | |
| 907 | Q | 33.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | 68.7 | 166.3 | 154.9 | -64 | 178.6 | 26.6 | 0 | 0 | 119.5 | | |
| 908 | N | 31.2 | Very low | 31.4 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | | -166.2 | 156.2 | -53.5 | -155.1 | 3.9 | 0 | 0 | 0 | 109.7 | | |
| 909 | I | 30.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | trans | 69.1 | 128.4 | 167 | -52.7 | 160.5 | 0 | 0 | 0 | 114.9 | | |
| 910 | T | 30.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | | -170.5 | 157.4 | 81.8 | -45.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 911 | C | 26.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | trans | -34.3 | 166.4 | 177.4 | -51.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 912 | I | 29.4 | Very low | 30.5 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | | | cis | -146 | 165.2 | 41.2 | -70.3 | 173.2 | 0 | 0 | 0 | 112.5 | | |
| 913 | C | 27.4 | Very low | 30.5 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | | | trans | -132.6 | 146.2 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 914 | S | 32.7 | Very low | 30.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | 40.9 | 125 | 159.4 | -60 | 0 | 0 | 0 | 0 | 122.9 | | |
| 915 | Y | 30.7 | Very low | 30.7 | Very low | 231 Ų | 231 | 138.8 Ų | 138.8 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | | | | -164.7 | -176.6 | 117.1 | -123.2 | -93.1 | 0 | 0 | 0 | 111.7 | | |
| 916 | C | 28.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | | | trans | -105.5 | 170.7 | -161.7 | -45.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 917 | N | 29.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 67.7 | 155 | 158.6 | -67.6 | 29.7 | 0 | 0 | 0 | 117.7 | | |
| 918 | E | 30.1 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | cis | -155.6 | 146.2 | -15.9 | -115.5 | 171 | 136.3 | 0 | 0 | 112 | | |
| 919 | I | 28.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | trans | 16.7 | 133.4 | 147.6 | -44.9 | 161.2 | 0 | 0 | 0 | 119.7 | | |
| 920 | K | 30.9 | Very low | 30.7 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | | | trans | 140.8 | 143.1 | 134.8 | -76.7 | -169.1 | 178.3 | 179.7 | 0 | 111.2 | | |
| 921 | Q | 32.2 | Very low | 30.6 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | cis | -156.8 | 157.2 | -20.9 | -92.9 | -175.4 | -106.1 | 0 | 0 | 104.8 | | |
| 922 | N | 31.6 | Very low | 31 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 60% | 0.599 | 73% | 0.726 | S | S | * | * | | | cis | -146.3 | -172.7 | 2.7 | -120.5 | 23.2 | 0 | 0 | 0 | 105.9 | | |
| 923 | D | 33.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | | | cis | -159 | -176.1 | 6.1 | -122 | -35.2 | 0 | 0 | 0 | 106.7 | | |
| 924 | Q | 32.4 | Very low | 31.2 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | | | cis | -143.1 | 160.1 | 2.9 | -134.6 | -159.6 | 23.8 | 0 | 0 | 113 | | |
| 925 | I | 31.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | | | trans | -1.9 | 129.9 | 139.6 | -62.8 | 170.8 | 0 | 0 | 0 | 115.7 | | |
| 926 | Q | 31.6 | Very low | 31.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | cis | -147.7 | 129.5 | 15.8 | -142.5 | 160.3 | 24.4 | 0 | 0 | 115.8 | | |
| 927 | Q | 31.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | | | trans | 36.5 | 98.6 | 141.3 | -65.4 | 170.4 | -24.6 | 0 | 0 | 122 | | |
| 928 | S | 31.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | | 36.7 | 124.5 | 115.6 | 62.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 929 | N | 32 | Very low | 31.4 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | trans | -133.5 | 125.3 | 144 | -138 | -25.3 | 0 | 0 | 0 | 108 | | |
| 930 | Y | 31.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -128.1 | 86.4 | -162.9 | -140 | -73.1 | 0 | 0 | 0 | 112.6 | K932 | Y930-K932 HydrophobicContact CD1-CG 4.41Å; Y930-K932 HydrophobicContact CE1-CD 3.81Å; Y930-K932 HydrophobicContact CE1-CG 3.96Å; Y930-K932 PolarHBondContact OH-NZ 3.26Å |
| 931 | N | 30 | Very low | 31.7 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | -103.8 | 114.9 | 169.3 | -100.4 | -33 | 0 | 0 | 0 | 110 | | |
| 932 | K | 33.4 | Very low | 31.6 | Very low | 168 Ų | 168 | 148 Ų | 148 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | -112.6 | 97.7 | 173.3 | -99.9 | -173.4 | -179.3 | 162.7 | 0 | 110.5 | Y930 | Y930-K932 HydrophobicContact CD1-CG 4.41Å; Y930-K932 HydrophobicContact CE1-CD 3.81Å; Y930-K932 HydrophobicContact CE1-CG 3.96Å; Y930-K932 PolarHBondContact OH-NZ 3.26Å |
| 933 | S | 28.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -138 | 73.9 | 174.3 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 934 | I | 34.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | | | trans | -116.7 | 139.2 | 160.2 | -19.8 | -179.6 | 0 | 0 | 0 | 103.6 | | |
| 935 | I | 31.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 152.6 Ų | 152.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | cis | -152.5 | 142.2 | 32.3 | -45.9 | 161 | 0 | 0 | 0 | 109.6 | | |
| 936 | R | 28.7 | Very low | 31.9 | Very low | 238 Ų | 238 | 156.5 Ų | 156.5 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | 169.9 | 160.7 | 131.4 | -94.5 | 163.8 | -174.4 | -154.4 | 0.6 | 116.1 | | |
| 937 | K | 28.8 | Very low | 32.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 74% | 0.735 | 80% | 0.803 | S | S | * | * | | | trans | 62.8 | 102.3 | 168.1 | -67.9 | -179.8 | 179.5 | 179 | 0 | 117.1 | E1108 | K937-E1108 IonicContact NZ-OE1 3.69Å; K937-E1108 PolarHBondContact NZ-OE1 3.05Å |
| 938 | P | 32.7 | Very low | 32.1 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 154.5 | 163.2 | 34.1 | -34 | 0 | 0 | 0 | 112.2 | | |
| 939 | T | 32.9 | Very low | 32 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 155.2 | 178.4 | 36.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 940 | P | 32.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 155.4 | -172.9 | 32.5 | -36.3 | 0 | 0 | 0 | 114.2 | | |
| 941 | P | 33.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 156.3 | -178 | 31.9 | -35.8 | 0 | 0 | 0 | 114.2 | | |
| 942 | K | 29.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 149.1 | -177.5 | -56 | 174.8 | -178.6 | 178.3 | 0 | 112.7 | | |
| 943 | R | 29.8 | Very low | 31.7 | Very low | 246 Ų | 246 | 146.7 Ų | 146.7 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | 137.4 | 144 | 130.1 | -79.6 | 179.4 | 167.7 | 173.4 | -3.3 | 115.4 | | |
| 944 | S | 28.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -158.4 | 171.5 | 141.9 | 64.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 945 | P | 43.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | | -136.6 | 166 | -64.9 | 39.3 | -25.6 | 0 | 0 | 0 | 113.6 | | |
| 946 | K | 33.2 | Very low | 31.5 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -172.2 | 136.9 | 137.4 | -112.2 | 171.7 | -177.8 | -179.9 | 0 | 115 | | |
| 947 | T | 35.4 | Very low | 31.6 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | 64.7 | 153.7 | 153.8 | -39.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 948 | A | 31.8 | Very low | 31.5 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -151.3 | -175.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 949 | L | 29.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | 90.1 | 98.7 | 170.9 | -58.1 | 171.2 | 0 | 0 | 0 | 118.2 | | |
| 950 | T | 29.5 | Very low | 31.2 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | | -2.7 | 156.7 | 120.2 | 26 | 0 | 0 | 0 | 0 | 118.8 | | |
| 951 | S | 28.8 | Very low | 31.1 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | cis | -169.2 | -177.6 | 21.7 | 26.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 952 | L | 30.2 | Very low | 30.9 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 89.4 | 137 | 164 | -50.2 | 179.8 | 0 | 0 | 0 | 114.5 | | |
| 953 | N | 32.2 | Very low | 30.9 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | cis | -141.6 | 160.4 | 12.4 | -108 | -23 | 0 | 0 | 0 | 115.4 | | |
| 954 | T | 30.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -14.7 | 128.4 | 158.9 | 51.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 955 | S | 28.6 | Very low | 31 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | | 84.5 | 155.5 | 76.7 | 95.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 956 | S | 30.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | | | cis | -167.9 | 166 | 5 | 18.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 957 | Q | 31.2 | Very low | 30.3 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 69.9 | 158.7 | 154.3 | -76.9 | 162.2 | -38.3 | 0 | 0 | 119.9 | | |
| 958 | S | 27.2 | Very low | 30 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | cis | -171 | -179.3 | -37.5 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 959 | E | 30.5 | Very low | 30 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | trans | 69.1 | 159.8 | 168.2 | -65.2 | 158.6 | -141.6 | 0 | 0 | 117.3 | | |
| 960 | E | 29.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | cis | -154.4 | 176.1 | -43.8 | -168.9 | 151.7 | -132.2 | 0 | 0 | 108.1 | | |
| 961 | R | 28.1 | Very low | 30.1 | Very low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | | | trans | -97 | 138.8 | 175.8 | -75.3 | 176 | 165.6 | 168.9 | -5.4 | 111.5 | | |
| 962 | E | 30.7 | Very low | 30.3 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | | -179.2 | -178.4 | 106.5 | -96.5 | -165.7 | 164.5 | 0 | 0 | 112.9 | | |
| 963 | N | 29.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 146 Ų | 146 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | | | trans | -116.6 | 156.6 | -165.4 | -54.8 | -83.4 | 0 | 0 | 0 | 112.8 | | |
| 964 | H | 30.9 | Very low | 30.3 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | | 164.1 | 148.5 | 102.7 | -87.3 | -52.6 | 0 | 0 | 0 | 116.2 | | |
| 965 | K | 28.8 | Very low | 30.4 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | 55.3 | 129.1 | 151.8 | -73 | 179.4 | 174.3 | 176.3 | 0 | 119.8 | | |
| 966 | V | 32 | Very low | 30.4 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | | -172.5 | 128.5 | 93.9 | 148.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 967 | Q | 31.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | 54.2 | 145.8 | 160.5 | -73.4 | 170.7 | -59.9 | 0 | 0 | 119.7 | | |
| 968 | M | 28.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | cis | -129.3 | 149.4 | 10.8 | -75.4 | -68.1 | -177.6 | 0 | 0 | 113.2 | | |
| 969 | N | 32.5 | Very low | 30.7 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 42.2 | 112.5 | 143 | -53.7 | -10.7 | 0 | 0 | 0 | 120.3 | | |
| 970 | S | 31.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | | 82.3 | 137.4 | 85.8 | -118.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 971 | I | 30.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | cis | -137.2 | 173.9 | 16 | -69.4 | 178.9 | 0 | 0 | 0 | 111.1 | | |
| 972 | Q | 33.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -55.9 | -175.6 | 167.9 | -46 | 159.5 | -70.5 | 0 | 0 | 113.7 | | |
| 973 | N | 30.4 | Very low | 31.6 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | -161.9 | -174.8 | 16 | -143.3 | 0.3 | 0 | 0 | 0 | 114.2 | | |
| 974 | S | 31.5 | Very low | 31.9 | Very low | 87 Ų | 87 | 141 Ų | 141 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | trans | -67.6 | 169.1 | -174.5 | -37.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 975 | N | 32.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 96.7 | 145.6 | 136.4 | -77.4 | -6.7 | 0 | 0 | 0 | 123.5 | | |
| 976 | Q | 28.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -40.7 | 152.3 | 156.7 | -46.1 | 158.5 | 14.6 | 0 | 0 | 114.1 | | |
| 977 | L | 31.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | | | | -165 | -172.8 | 104.8 | -130.5 | 73.3 | 0 | 0 | 0 | 111.2 | | |
| 978 | A | 31.4 | Very low | 32.4 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -126.1 | 166 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 979 | N | 31.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | 78.7 | 132 | 152.1 | -69.7 | -10.2 | 0 | 0 | 0 | 121.4 | | |
| 980 | V | 31.8 | Very low | 32.9 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 84.8 | 103.5 | 147 | 173.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 981 | M | 31.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | | | trans | 72 | 140.7 | 139.2 | -65.2 | -68.9 | 168.1 | 0 | 0 | 123 | | |
| 982 | D | 30 | Very low | 33.6 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -69.6 | 173.5 | 170.1 | -73.1 | -65.6 | 0 | 0 | 0 | 114.7 | | |
| 983 | P | 45.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | cis | -141.2 | -170.7 | -26 | 31.2 | -8.3 | 0 | 0 | 0 | 115.2 | | |
| 984 | I | 35.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | 90.6 | 95.7 | 156.5 | -53.5 | -175 | 0 | 0 | 0 | 119.8 | | |
| 985 | S | 33.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 49.3 | 122 | 141.9 | 72.6 | 0 | 0 | 0 | 0 | 123 | | |
| 986 | G | 33.3 | Very low | 34.6 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -174.4 | 53.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 987 | E | 32.4 | Very low | 35 | Very low | 188 Ų | 188 | 129 Ų | 129 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | 60.3 | 128.1 | 167.2 | -73.3 | -166.2 | 132.4 | 0 | 0 | 122.4 | | |
| 988 | V | 33.4 | Very low | 35.1 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | 67.2 | 115.6 | 151.2 | -177.3 | 0 | 0 | 0 | 0 | 121 | | |
| 989 | G | 34.7 | Very low | 35.3 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | trans | 148.8 | 80.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 990 | V | 37.2 | Very low | 35.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 68.9 | 111.7 | 134.1 | -177.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 991 | I | 36.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 66.4 | 123.9 | 145.9 | -64.6 | 172.1 | 0 | 0 | 0 | 119 | | |
| 992 | C | 38.1 | Very low | 35.6 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | 85 | 147.7 | 34.5 | -60.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 993 | N | 40.8 | Very low | 35.7 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | cis | -165.7 | 178.8 | -12.8 | -100.5 | -9.4 | 0 | 0 | 0 | 108.9 | | |
| 994 | H | 35.3 | Very low | 35.2 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | | | cis | 156 | 141.4 | -38.5 | -178.9 | 69.4 | 0 | 0 | 0 | 110.6 | | |
| 995 | K | 37.7 | Very low | 35.2 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 70% | 0.7 | 74% | 0.743 | S | S | * | * | | | trans | 70.1 | 168.6 | 164.9 | -86.6 | -175.9 | 178.5 | -171.7 | 0 | 119.4 | | |
| 996 | I | 36.1 | Very low | 35.3 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 67% | 0.672 | 75% | 0.745 | S | S | * | * | | | cis | -164 | 160.5 | -34.2 | -126.4 | 176.4 | 0 | 0 | 0 | 110.1 | | |
| 997 | G | 35.5 | Very low | 35.2 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | 74.2 | 172.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 998 | D | 35.1 | Very low | 35.4 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | | | cis | -161.7 | 176.1 | -17.4 | -69.9 | -48.3 | 0 | 0 | 0 | 105.3 | | |
| 999 | D | 35 | Very low | 35.4 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | | | cis | -154.2 | -157.7 | 5.7 | -153 | -23.2 | 0 | 0 | 0 | 110.2 | | |
| 1000 | C | 31.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | | | trans | -125.4 | -174.2 | -162 | -50 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1001 | D | 36 | Very low | 35 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | trans | 88.1 | 171.2 | 154.1 | -60.6 | -22.4 | 0 | 0 | 0 | 122.8 | | |
| 1002 | N | 32.9 | Very low | 34.7 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | -154.9 | 171.8 | -135.7 | -174.2 | 33.1 | 0 | 0 | 0 | 114.5 | | |
| 1003 | E | 33.7 | Very low | 34.3 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | | | trans | 88.4 | 140.3 | 164.6 | -61.5 | -55.4 | 157.7 | 0 | 0 | 123.7 | | |
| 1004 | D | 35.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 85.9 | 114.6 | 143.5 | -107.4 | -37.5 | 0 | 0 | 0 | 127.4 | | |
| 1005 | S | 34.6 | Very low | 33.5 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | trans | 64.3 | 110.5 | 136.4 | -75.3 | 0 | 0 | 0 | 0 | 126.5 | | |
| 1006 | K | 35 | Very low | 33.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | | | trans | 21.3 | 140.5 | 130.5 | -55.6 | 166.2 | -173.3 | 163.9 | 0 | 118.8 | | |
| 1007 | E | 33.1 | Very low | 33.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | cis | -168.8 | 158.2 | 44.3 | -151.4 | -170.9 | 161.6 | 0 | 0 | 114.2 | | |
| 1008 | K | 34.8 | Very low | 33.1 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | 49.7 | 107.2 | 155.3 | -83.6 | 167.1 | -173.2 | 148.1 | 0 | 123.1 | | |
| 1009 | A | 33.9 | Very low | 33 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | | | | 82.4 | 122.5 | 110.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1010 | H | 32.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | | | trans | 83.9 | 93.7 | 135 | -84.6 | -59.8 | 0 | 0 | 0 | 124 | | |
| 1011 | T | 31.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | | | | 81.5 | 145.6 | 124.4 | -11 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1012 | T | 30.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 127 Ų | 127 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | 71 | 141 | 147.6 | 39.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1013 | M | 29.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | cis | -174.3 | 163.6 | -22.2 | -124 | -172.4 | -171.3 | 0 | 0 | 112.2 | | |
| 1014 | T | 28.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | trans | 61.8 | 176.9 | 147.3 | 59.3 | 0 | 0 | 0 | 0 | 118 | | |
| 1015 | T | 31.7 | Very low | 33.3 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | cis | -157 | 157.3 | 18 | -29.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1016 | T | 34.9 | Very low | 33.2 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | | | trans | 98.5 | 139.7 | 157.3 | 69.6 | 0 | 0 | 0 | 0 | 117 | | |
| 1017 | G | 33.1 | Very low | 33.2 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | cis | 165.6 | 166.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1018 | S | 32.9 | Very low | 33.2 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | cis | 180 | 147.2 | -10.8 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1019 | G | 33 | Very low | 33.1 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | 98.9 | 158.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1020 | S | 36.4 | Very low | 33 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | cis | -168 | 134.6 | -0 | -83.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1021 | H | 36.3 | Very low | 32.9 | Very low | 179 Ų | 179 | 125 Ų | 125 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | 52 | 156.3 | 135.1 | -58.1 | -55.5 | 0 | 0 | 0 | 123.6 | | |
| 1022 | S | 36.2 | Very low | 32.7 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | cis | -175.8 | 178.9 | -15 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1023 | S | 35.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | 84.3 | 152.8 | 163.1 | 78 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1024 | H | 33.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | cis | -148.8 | -176.9 | -4 | -130.2 | -66.7 | 0 | 0 | 0 | 113 | | |
| 1025 | E | 32.6 | Very low | 32.8 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -73.2 | 177.7 | -165.7 | -68.4 | 154.7 | 147.8 | 0 | 0 | 118.9 | | |
| 1026 | G | 32.9 | Very low | 33.1 | Very low | 60 Ų | 60 | 136.6 Ų | 136.6 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | | | cis | 166.2 | -164.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1027 | S | 35.6 | Very low | 32.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | 65.7 | 147.9 | 172.5 | 50.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1028 | E | 32.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | cis | -163.5 | 150.1 | -6.7 | -112.9 | -170.7 | 140.3 | 0 | 0 | 114.9 | | |
| 1029 | Q | 32.8 | Very low | 33.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | trans | 61.7 | 131.6 | 142 | -71.2 | -167.8 | 52 | 0 | 0 | 128.3 | | |
| 1030 | N | 32.1 | Very low | 33.1 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | 90.4 | 170.8 | 137.4 | -58.7 | -10.5 | 0 | 0 | 0 | 124.4 | | |
| 1031 | E | 28.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -121.1 | 172.3 | -140.6 | -53 | -179.7 | 107.4 | 0 | 0 | 118.8 | | |
| 1032 | E | 27.3 | Very low | 32.4 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | 85.3 | 131 | 151.6 | -86.7 | -153.6 | 121.4 | 0 | 0 | 124.9 | | |
| 1033 | K | 30.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 145 Ų | 145 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | 87.3 | 128 | 142.3 | -75.6 | 166.5 | 175.9 | 132.5 | 0 | 124.3 | | |
| 1034 | Q | 28.9 | Very low | 31.9 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | | | trans | 84.9 | 145.9 | 147.3 | -75.6 | 172.6 | -104.5 | 0 | 0 | 122.7 | | |
| 1035 | Y | 30.6 | Very low | 32.1 | Very low | 226 Ų | 226 | 143.7 Ų | 143.7 | 89% | 0.886 | 74% | 0.742 | S | S | * | * | | | trans | -103 | 155.2 | -174.9 | -87.5 | -79.9 | 0 | 0 | 0 | 111.4 | | |
| 1036 | P | 38 | Very low | 32.1 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | | | | -146 | 179.6 | 86.4 | 38 | -19.1 | 0 | 0 | 0 | 117 | | |
| 1037 | M | 30.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 70% | 0.7 | 74% | 0.741 | S | S | * | * | | | trans | -50.7 | 161.9 | 171.7 | -64.5 | -61.5 | -159.6 | 0 | 0 | 114.1 | | |
| 1038 | Y | 37.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | cis | -162.6 | 170.6 | 14.7 | -118.8 | -30.1 | 0 | 0 | 0 | 108 | | |
| 1039 | D | 34.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | | | cis | -161.7 | 173.4 | -6.6 | -170.3 | 37.5 | 0 | 0 | 0 | 111.2 | | |
| 1040 | S | 31.6 | Very low | 32.1 | Very low | 86 Ų | 86 | 150.7 Ų | 150.7 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | 73.7 | 143.3 | 150.3 | -88 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1041 | N | 28 | Very low | 32 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | 54.5 | 84.2 | 172.3 | -68.9 | -14.6 | 0 | 0 | 0 | 117 | | |
| 1042 | N | 30.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | trans | -144.8 | 126.4 | 169.7 | -132.1 | -19.7 | 0 | 0 | 0 | 112.6 | N1046 | N1042-N1046 PolarHBondContact ND2-OD1 2.93Š|
| 1043 | N | 30.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -113 | 100 | 163.1 | -179.7 | 9 | 0 | 0 | 0 | 108.3 | | |
| 1044 | S | 30.8 | Very low | 32.8 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 64.3 | 113.9 | 166 | -52.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1045 | N | 38.4 | Very low | 32.9 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | 83 | 117.8 | 163.7 | -50.2 | -28.8 | 0 | 0 | 0 | 117.8 | | |
| 1046 | N | 32.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | | | trans | -110.8 | 131.3 | 179.5 | -97.7 | -4.8 | 0 | 0 | 0 | 112.2 | N1042 | N1042-N1046 PolarHBondContact ND2-OD1 2.93Š|
| 1047 | N | 33.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | | 151.4 | 127.9 | 123.4 | -82 | -26.4 | 0 | 0 | 0 | 112.9 | | |
| 1048 | I | 36 | Very low | 33.4 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | | 177.3 | 116.5 | 118.5 | -93.2 | 163.9 | 0 | 0 | 0 | 112.2 | | |
| 1049 | K | 35 | Very low | 33.3 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | 67.9 | 151.1 | 152.4 | -65.6 | 174.5 | -173.4 | 177.8 | 0 | 121.8 | | |
| 1050 | Q | 28.6 | Very low | 33.3 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | | | trans | -126.6 | 161.2 | -178.5 | -50.4 | 155.5 | -80 | 0 | 0 | 109.1 | | |
| 1051 | S | 30.1 | Very low | 33.4 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | | -178.9 | 166 | 118.6 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1052 | D | 35.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | trans | 67.3 | 96.5 | 157.4 | -49.8 | -44.6 | 0 | 0 | 0 | 119.3 | | |
| 1053 | L | 33.1 | Very low | 33.7 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | | 91.7 | 161.4 | 96.7 | -79 | 165.7 | 0 | 0 | 0 | 112.8 | | |
| 1054 | I | 35.4 | Very low | 33.8 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 82% | 0.821 | 74% | 0.736 | S | S | * | * | | | cis | -128.5 | 175.8 | 7.1 | -37 | 157.9 | 0 | 0 | 0 | 110.3 | | |
| 1055 | M | 30.1 | Very low | 33.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | | | trans | -102.8 | -177.8 | 174.8 | -99.1 | -67.2 | 173.5 | 0 | 0 | 110.7 | | |
| 1056 | P | 42 | Very low | 33.5 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | | | cis | -159.5 | -177.4 | 41.6 | 45.1 | -21.4 | 0 | 0 | 0 | 122.1 | | |
| 1057 | N | 34.5 | Very low | 33.4 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | 79.5 | 138.3 | 160.1 | -55.9 | -31.6 | 0 | 0 | 0 | 118.3 | | |
| 1058 | N | 33.8 | Very low | 33.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | cis | -177.7 | 167 | -13.1 | -95.9 | -17.9 | 0 | 0 | 0 | 106.5 | | |
| 1059 | I | 34.9 | Very low | 33 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | cis | -165.9 | 162.6 | -14.3 | -104.7 | 168.2 | 0 | 0 | 0 | 104.7 | | |
| 1060 | G | 34.9 | Very low | 32.8 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | | | cis | -127.4 | -149.5 | 5.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1061 | Q | 32.3 | Very low | 33 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | 85.3 | 128.4 | 20.9 | -53.9 | -154.2 | -96 | 0 | 0 | 116 | | |
| 1062 | D | 32.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | | | cis | -162.2 | 149.4 | 6.4 | -122.9 | 27.5 | 0 | 0 | 0 | 114.3 | | |
| 1063 | N | 32.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | | | trans | 58 | 149.5 | 155.5 | -51.4 | -44.8 | 0 | 0 | 0 | 120.6 | | |
| 1064 | G | 32.7 | Very low | 33.1 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | cis | -166.9 | 176 | -1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1065 | A | 32.2 | Very low | 33.2 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -111.9 | 168.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1066 | I | 30.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | | | trans | 166.2 | 141.2 | 131.8 | -86 | 157.2 | 0 | 0 | 0 | 114.2 | | |
| 1067 | A | 31.4 | Very low | 33.8 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 62.8 | 113.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1068 | C | 29.2 | Very low | 34.4 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | | | | 72.1 | 106 | 113.7 | -163.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1069 | C | 31.1 | Very low | 35.1 | Very low | 106 Ų | 106 | 119 Ų | 119 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | | | | 100.7 | 147 | 112.1 | -57.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1070 | V | 32.3 | Very low | 36.1 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | | | trans | 80 | 144.9 | 159.8 | 170.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1071 | C | 32.2 | Very low | 37.3 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | | | trans | 64.2 | 75.7 | 175 | -71.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1072 | N | 32.7 | Very low | 38.9 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | | | trans | -142.8 | 59 | 154.2 | -157.7 | 10.7 | 0 | 0 | 0 | 112.4 | | |
| 1073 | S | 34.6 | Very low | 41 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -147 | 27.2 | -178.4 | -48.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1074 | L | 33.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 117.8 Ų | 117.8 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -135.3 | 5.8 | -174.5 | -119 | 154.6 | 0 | 0 | 0 | 113.5 | | |
| 1075 | H | 38.1 | Very low | 45 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -111.7 | 7.8 | -179.1 | -111.6 | -55.7 | 0 | 0 | 0 | 114.4 | | |
| 1076 | Q | 41 | Very low | 46.9 | Very low | 154 Ų | 154 | 119.7 Ų | 119.7 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -107.1 | -3.6 | -176.9 | -162 | 162.6 | 6.5 | 0 | 0 | 113.4 | | |
| 1077 | I | 43.1 | Very low | 49.4 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -89.9 | -48.9 | -179 | -60.8 | 175.5 | 0 | 0 | 0 | 110.3 | A1079 E1080 D1081 | I1077-A1079 PolarHBondContact O-N 3.47Å; I1077-E1080 PolarHBondContact O-N 2.68Å; I1077-E1080 VanDerWaalsContact O-N 3.09Å; I1077-D1081 PolarHBondContact O-N 3.25Å |
| 1078 | D | 46.6 | Very low | 51.8 | Low | 105 Ų | 105 | 116 Ų | 116 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.9 | -31.5 | -177.7 | -53.8 | -27.7 | 0 | 0 | 0 | 113.4 | E1082 | D1078-E1082 PolarHBondContact O-N 3.14Å; D1078-E1082 VanDerWaalsContact O-N 3.13Å |
| 1079 | A | 48.2 | Very low | 54.3 | Low | 49 Ų | 49 | 114.6 Ų | 114.6 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.6 | -30.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1077 I1083 | I1077-A1079 PolarHBondContact O-N 3.47Å; A1079-I1083 WeakPolarHBondContact O-CB 3.43Å; A1079-I1083 WeakPolarHBondContact O-CD1 3.47Å; A1079-I1083 VanDerWaalsContact O-CG1 3.24Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.29Å; A1079-I1083 PolarHBondContact O-N 2.82Å |
| 1080 | E | 56.9 | Low | 56.7 | Low | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.593 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.1 | -37.4 | 178 | -66.4 | -166.9 | 165.2 | 0 | 0 | 111.3 | I1077 I1083 L1084 | I1077-E1080 PolarHBondContact O-N 2.68Å; I1077-E1080 VanDerWaalsContact O-N 3.09Å; E1080-I1083 PolarHBondContact O-N 3.3Å; E1080-L1084 WeakPolarHBondContact O-CB 3.47Å; E1080-L1084 WeakPolarHBondContact O-CG 2.98Å; E1080-L1084 PolarHBondContact O-N 3.07Å |
| 1081 | D | 59.8 | Low | 59.1 | Low | 106 Ų | 106 | 110.7 Ų | 110.7 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68 | -36.7 | 174.4 | -90.5 | -16.3 | 0 | 0 | 0 | 112.5 | I1077 L1084 H1085 | I1077-D1081 PolarHBondContact O-N 3.25Å; D1081-L1084 PolarHBondContact O-N 3.09Å; D1081-H1085 WeakPolarHBondContact O-CB 3.4Å; D1081-H1085 PolarHBondContact O-N 3.5Å |
| 1082 | E | 66.1 | Low | 61.5 | Low | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | 172.8 | -171.3 | 173.2 | -148.7 | 0 | 0 | 111.8 | D1078 H1085 M1086 | D1078-E1082 PolarHBondContact O-N 3.14Å; D1078-E1082 VanDerWaalsContact O-N 3.13Å; E1082-H1085 PolarHBondContact O-N 3.41Å; E1082-M1086 WeakPolarHBondContact O-CB 3.3Å; E1082-M1086 PolarHBondContact O-N 3.18Å |
| 1083 | I | 76.1 | Confident | 63.9 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -39.4 | 175 | -71.5 | 168.9 | 0 | 0 | 0 | 111.4 | A1079 E1080 T1087 | A1079-I1083 WeakPolarHBondContact O-CB 3.43Å; A1079-I1083 WeakPolarHBondContact O-CD1 3.47Å; A1079-I1083 VanDerWaalsContact O-CG1 3.24Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.29Å; A1079-I1083 PolarHBondContact O-N 2.82Å; E1080-I1083 PolarHBondContact O-N 3.3Å; I1083-T1087 VanDerWaalsContact O-CB 3.26Å; I1083-T1087 WeakPolarHBondContact O-CB 3.4Å; I1083-T1087 PolarHBondContact O-N 3.13Å; I1083-T1087 PolarHBondContact O-OG1 2.82Å |
| 1084 | L | 73.3 | Confident | 66.2 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -46.5 | 173.3 | -86.3 | 163.2 | 0 | 0 | 0 | 111.4 | E1080 D1081 T1087 E1088 | E1080-L1084 WeakPolarHBondContact O-CB 3.47Å; E1080-L1084 WeakPolarHBondContact O-CG 2.98Å; E1080-L1084 PolarHBondContact O-N 3.07Å; D1081-L1084 PolarHBondContact O-N 3.09Å; L1084-T1087 PolarHBondContact O-N 3.43Å; L1084-E1088 WeakPolarHBondContact O-CB 3.47Å; L1084-E1088 PolarHBondContact O-N 2.92Å |
| 1085 | H | 75.6 | Confident | 68.5 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 178.2 | -171.3 | 54.1 | 0 | 0 | 0 | 112 | D1081 E1082 T1087 E1088 L1089 | D1081-H1085 WeakPolarHBondContact O-CB 3.4Å; D1081-H1085 PolarHBondContact O-N 3.5Å; E1082-H1085 PolarHBondContact O-N 3.41Å; H1085-T1087 VanDerWaalsContact C-N 3.32Å; H1085-T1087 PolarHBondContact O-N 2.99Å; H1085-E1088 PolarHBondContact O-N 2.88Å; H1085-L1089 WeakPolarHBondContact O-CB 3.37Å; H1085-L1089 WeakPolarHBondContact O-CG 3.32Å; H1085-L1089 PolarHBondContact O-N 2.85Å |
| 1086 | M | 73 | Confident | 70.5 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 173.4 | -83.9 | -72.1 | -76.4 | 0 | 0 | 112.5 | E1082 L1089 L1090 | E1082-M1086 WeakPolarHBondContact O-CB 3.3Å; E1082-M1086 PolarHBondContact O-N 3.18Å; M1086-L1089 PolarHBondContact O-N 3.38Å; M1086-L1090 WeakPolarHBondContact O-CB 3.39Å; M1086-L1090 VanDerWaalsContact O-CG 3.27Å; M1086-L1090 WeakPolarHBondContact O-CG 3.45Å; M1086-L1090 PolarHBondContact O-N 3.37Å |
| 1087 | T | 82 | Confident | 72.5 | Confident | 83 Ų | 83 | 103.1 Ų | 103.1 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | I1083 L1084 H1085 L1090 S1091 | I1083-T1087 VanDerWaalsContact O-CB 3.26Å; I1083-T1087 WeakPolarHBondContact O-CB 3.4Å; I1083-T1087 PolarHBondContact O-N 3.13Å; I1083-T1087 PolarHBondContact O-OG1 2.82Å; L1084-T1087 PolarHBondContact O-N 3.43Å; H1085-T1087 VanDerWaalsContact C-N 3.32Å; H1085-T1087 PolarHBondContact O-N 2.99Å; T1087-L1090 PolarHBondContact O-N 3.24Å; T1087-S1091 WeakPolarHBondContact O-CB 3.23Å; T1087-S1091 PolarHBondContact O-N 3.05Å |
| 1088 | E | 83 | Confident | 74.4 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.7 | -156.2 | -152.4 | -174 | 0 | 0 | 111.7 | L1084 H1085 S1091 K1092 | L1084-E1088 WeakPolarHBondContact O-CB 3.47Å; L1084-E1088 PolarHBondContact O-N 2.92Å; H1085-E1088 PolarHBondContact O-N 2.88Å; E1088-S1091 WeakPolarHBondContact O-CB 3.4Å; E1088-S1091 PolarHBondContact O-N 3.04Å; E1088-K1092 HydrophobicContact CG-CD 4.41Å; E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 WeakPolarHBondContact O-CG 3.13Å; E1088-K1092 PolarHBondContact O-N 2.95Å; E1088-K1092 WeakPolarHBondContact OE1-CE 3.17Å; E1088-K1092 IonicContact OE1-NZ 2.82Å; E1088-K1092 PolarHBondContact OE1-NZ 2.81Å; E1088-K1092 IonicContact OE2-NZ 2.74Å; E1088-K1092 PolarHBondContact OE2-NZ 3.27Å |
| 1089 | L | 81.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 173.4 | -74.8 | 174.1 | 0 | 0 | 0 | 112.1 | H1085 M1086 S1091 R1093 | H1085-L1089 WeakPolarHBondContact O-CB 3.37Å; H1085-L1089 WeakPolarHBondContact O-CG 3.32Å; H1085-L1089 PolarHBondContact O-N 2.85Å; M1086-L1089 PolarHBondContact O-N 3.38Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å; L1089-R1093 WeakPolarHBondContact O-CB 3.28Å; L1089-R1093 PolarHBondContact O-N 3.25Å |
| 1090 | L | 81.1 | Confident | 77.8 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 45% | 0.45 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 174 | -74.1 | 170.8 | 0 | 0 | 0 | 111.9 | M1086 T1087 R1093 R1094 | M1086-L1090 WeakPolarHBondContact O-CB 3.39Å; M1086-L1090 VanDerWaalsContact O-CG 3.27Å; M1086-L1090 WeakPolarHBondContact O-CG 3.45Å; M1086-L1090 PolarHBondContact O-N 3.37Å; T1087-L1090 PolarHBondContact O-N 3.24Å; L1090-R1093 PolarHBondContact O-N 2.69Å; L1090-R1094 VanDerWaalsContact O-CG 3.32Å; L1090-R1094 WeakPolarHBondContact O-CG 3.38Å; L1090-R1094 PolarHBondContact O-N 2.67Å |
| 1091 | S | 82.3 | Confident | 79 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -50.7 | 174.9 | -161.7 | 0 | 0 | 0 | 0 | 111.5 | T1087 E1088 L1089 R1093 R1094 E1095 | T1087-S1091 WeakPolarHBondContact O-CB 3.23Å; T1087-S1091 PolarHBondContact O-N 3.05Å; E1088-S1091 WeakPolarHBondContact O-CB 3.4Å; E1088-S1091 PolarHBondContact O-N 3.04Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å; S1091-R1093 VanDerWaalsContact C-N 3.25Å; S1091-R1093 PolarHBondContact O-N 2.79Å; S1091-R1094 PolarHBondContact O-N 3.09Å; S1091-R1094 VanDerWaalsContact O-N 3.09Å; S1091-E1095 PolarHBondContact O-N 3.25Å |
| 1092 | K | 83.4 | Confident | 80.1 | Confident | 101 Ų | 101 | 108 Ų | 108 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.3 | -37.1 | 173.6 | -72.9 | 168 | 179.9 | 168.4 | 0 | 112 | E1088 E1095 S1096 | E1088-K1092 HydrophobicContact CG-CD 4.41Å; E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 WeakPolarHBondContact O-CG 3.13Å; E1088-K1092 PolarHBondContact O-N 2.95Å; E1088-K1092 WeakPolarHBondContact OE1-CE 3.17Å; E1088-K1092 IonicContact OE1-NZ 2.82Å; E1088-K1092 PolarHBondContact OE1-NZ 2.81Å; E1088-K1092 IonicContact OE2-NZ 2.74Å; E1088-K1092 PolarHBondContact OE2-NZ 3.27Å; K1092-E1095 PolarHBondContact O-N 2.97Å; K1092-S1096 PolarHBondContact O-N 3.37Å |
| 1093 | R | 84 | Confident | 80.8 | Confident | 165 Ų | 165 | 106.7 Ų | 106.7 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -49 | 173.5 | -170.7 | 175.7 | -175 | 126.2 | 5.5 | 111.7 | L1089 L1090 S1091 E1095 S1096 E1097 | L1089-R1093 WeakPolarHBondContact O-CB 3.28Å; L1089-R1093 PolarHBondContact O-N 3.25Å; L1090-R1093 PolarHBondContact O-N 2.69Å; S1091-R1093 VanDerWaalsContact C-N 3.25Å; S1091-R1093 PolarHBondContact O-N 2.79Å; R1093-E1095 VanDerWaalsContact C-N 3.29Å; R1093-E1095 PolarHBondContact O-N 3.49Å; R1093-S1096 PolarHBondContact O-N 3.44Å; R1093-S1096 VanDerWaalsContact O-N 3.14Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; R1093-E1097 PolarHBondContact O-N 3.21Å |
| 1094 | R | 81.3 | Confident | 80.9 | Confident | 184 Ų | 184 | 105.4 Ų | 105.4 | 69% | 0.694 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58 | -41 | 175.6 | -71 | 173.8 | -161.9 | -177.8 | 7.5 | 111.7 | L1090 S1091 E1097 A1098 | L1090-R1094 VanDerWaalsContact O-CG 3.32Å; L1090-R1094 WeakPolarHBondContact O-CG 3.38Å; L1090-R1094 PolarHBondContact O-N 2.67Å; S1091-R1094 PolarHBondContact O-N 3.09Å; S1091-R1094 VanDerWaalsContact O-N 3.09Å; R1094-E1097 PolarHBondContact O-N 3.1Å; R1094-A1098 VanDerWaalsContact O-CB 3.3Å; R1094-A1098 WeakPolarHBondContact O-CB 3.22Å; R1094-A1098 PolarHBondContact O-N 2.64Å |
| 1095 | E | 83 | Confident | 81.1 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.4 | -159.4 | -158.6 | 149.6 | 0 | 0 | 111.7 | S1091 K1092 R1093 A1098 R1099 | S1091-E1095 PolarHBondContact O-N 3.25Å; K1092-E1095 PolarHBondContact O-N 2.97Å; R1093-E1095 VanDerWaalsContact C-N 3.29Å; R1093-E1095 PolarHBondContact O-N 3.49Å; E1095-A1098 PolarHBondContact O-N 3.22Å; E1095-R1099 WeakPolarHBondContact O-CB 3.46Å; E1095-R1099 VanDerWaalsContact O-CG 3.31Å; E1095-R1099 WeakPolarHBondContact O-CG 3.49Å; E1095-R1099 PolarHBondContact O-N 2.82Å; E1095-R1099 IonicContact OE1-CZ 3.49Å; E1095-R1099 IonicContact OE1-NE 3.04Å; E1095-R1099 PolarHBondContact OE1-NE 3.41Å; E1095-R1099 IonicContact OE1-NH2 3.85Å; E1095-R1099 PolarHBondContact OE1-NH2 3.11Å |
| 1096 | S | 79.5 | Confident | 81.3 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 113 | K1092 R1093 R1100 | K1092-S1096 PolarHBondContact O-N 3.37Å; R1093-S1096 PolarHBondContact O-N 3.44Å; R1093-S1096 VanDerWaalsContact O-N 3.14Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; S1096-R1100 VanDerWaalsContact O-CB 3.32Å; S1096-R1100 WeakPolarHBondContact O-CB 3.26Å; S1096-R1100 PolarHBondContact O-N 3.08Å |
| 1097 | E | 82.7 | Confident | 81.4 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.9 | -38.1 | 177.1 | -150.3 | 81.3 | -113.2 | 0 | 0 | 110.7 | R1093 R1094 R1100 Q1101 | R1093-E1097 PolarHBondContact O-N 3.21Å; R1094-E1097 PolarHBondContact O-N 3.1Å; E1097-R1100 WeakPolarHBondContact O-CB 3.37Å; E1097-R1100 PolarHBondContact O-N 2.68Å; E1097-R1100 IonicContact OE1-NH1 3.85Å; E1097-R1100 PolarHBondContact OE1-NH1 2.81Å; E1097-Q1101 WeakPolarHBondContact O-CG 3.26Å; E1097-Q1101 PolarHBondContact O-N 3.5Å |
| 1098 | A | 83 | Confident | 81 | Confident | 57 Ų | 57 | 104.5 Ų | 104.5 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1094 E1095 R1100 Q1101 L1102 | R1094-A1098 VanDerWaalsContact O-CB 3.3Å; R1094-A1098 WeakPolarHBondContact O-CB 3.22Å; R1094-A1098 PolarHBondContact O-N 2.64Å; E1095-A1098 PolarHBondContact O-N 3.22Å; A1098-R1100 VanDerWaalsContact C-N 3.27Å; A1098-R1100 PolarHBondContact O-N 2.83Å; A1098-Q1101 PolarHBondContact O-N 3Å; A1098-L1102 WeakPolarHBondContact O-CB 3.49Å; A1098-L1102 PolarHBondContact O-N 3.07Å |
| 1099 | R | 83.7 | Confident | 80.6 | Confident | 160 Ų | 160 | 104.2 Ų | 104.2 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -37.1 | 172.6 | -73 | 171.8 | -180 | -113.7 | 8 | 111.9 | E1095 L1103 | E1095-R1099 WeakPolarHBondContact O-CB 3.46Å; E1095-R1099 VanDerWaalsContact O-CG 3.31Å; E1095-R1099 WeakPolarHBondContact O-CG 3.49Å; E1095-R1099 PolarHBondContact O-N 2.82Å; E1095-R1099 IonicContact OE1-CZ 3.49Å; E1095-R1099 IonicContact OE1-NE 3.04Å; E1095-R1099 PolarHBondContact OE1-NE 3.41Å; E1095-R1099 IonicContact OE1-NH2 3.85Å; E1095-R1099 PolarHBondContact OE1-NH2 3.11Å; R1099-L1103 PolarHBondContact O-N 2.84Å |
| 1100 | R | 82.8 | Confident | 80.2 | Confident | 151 Ų | 151 | 101.7 Ų | 101.7 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.5 | -41.4 | 174.7 | -178.5 | -175.3 | 177.9 | -159.5 | 2.7 | 112.3 | S1096 E1097 A1098 L1103 L1104 | S1096-R1100 VanDerWaalsContact O-CB 3.32Å; S1096-R1100 WeakPolarHBondContact O-CB 3.26Å; S1096-R1100 PolarHBondContact O-N 3.08Å; E1097-R1100 WeakPolarHBondContact O-CB 3.37Å; E1097-R1100 PolarHBondContact O-N 2.68Å; E1097-R1100 IonicContact OE1-NH1 3.85Å; E1097-R1100 PolarHBondContact OE1-NH1 2.81Å; A1098-R1100 VanDerWaalsContact C-N 3.27Å; A1098-R1100 PolarHBondContact O-N 2.83Å; R1100-L1103 PolarHBondContact O-N 2.83Å; R1100-L1104 HydrophobicContact CG-CD1 4.27Å; R1100-L1104 WeakPolarHBondContact O-CG 3.33Å; R1100-L1104 PolarHBondContact O-N 2.79Å |
| 1101 | Q | 82.3 | Confident | 79.8 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 175.4 | -74.1 | 177.8 | 19.4 | 0 | 0 | 111.8 | E1097 A1098 L1104 A1105 | E1097-Q1101 WeakPolarHBondContact O-CG 3.26Å; E1097-Q1101 PolarHBondContact O-N 3.5Å; A1098-Q1101 PolarHBondContact O-N 3Å; Q1101-L1104 PolarHBondContact O-N 2.77Å; Q1101-A1105 WeakPolarHBondContact O-CB 3.44Å; Q1101-A1105 PolarHBondContact O-N 3.44Å |
| 1102 | L | 83.3 | Confident | 79.2 | Confident | 103 Ų | 103 | 103.3 Ų | 103.3 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 173 | -172.9 | 68.4 | 0 | 0 | 0 | 111.2 | A1098 L1104 A1105 E1106 | A1098-L1102 WeakPolarHBondContact O-CB 3.49Å; A1098-L1102 PolarHBondContact O-N 3.07Å; L1102-L1104 VanDerWaalsContact C-N 3.3Å; L1102-L1104 PolarHBondContact O-N 2.87Å; L1102-A1105 PolarHBondContact O-N 3.4Å; L1102-A1105 VanDerWaalsContact O-N 3.12Å; L1102-E1106 WeakPolarHBondContact O-CB 3.44Å; L1102-E1106 WeakPolarHBondContact O-CG 3.48Å; L1102-E1106 PolarHBondContact O-N 2.81Å |
| 1103 | L | 79.4 | Confident | 78.9 | Confident | 113 Ų | 113 | 106 Ų | 106 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -36.4 | 175.9 | -88.5 | 165.6 | 0 | 0 | 0 | 113.3 | R1099 R1100 M1107 | R1099-L1103 PolarHBondContact O-N 2.84Å; R1100-L1103 PolarHBondContact O-N 2.83Å; L1103-M1107 VanDerWaalsContact O-CB 3.26Å; L1103-M1107 WeakPolarHBondContact O-CB 3.25Å; L1103-M1107 PolarHBondContact O-N 2.93Å |
| 1104 | L | 79.5 | Confident | 78.4 | Confident | 85 Ų | 85 | 103 Ų | 103 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | 175.3 | -73.8 | 170.4 | 0 | 0 | 0 | 112 | R1100 Q1101 L1102 M1107 E1108 | R1100-L1104 HydrophobicContact CG-CD1 4.27Å; R1100-L1104 WeakPolarHBondContact O-CG 3.33Å; R1100-L1104 PolarHBondContact O-N 2.79Å; Q1101-L1104 PolarHBondContact O-N 2.77Å; L1102-L1104 VanDerWaalsContact C-N 3.3Å; L1102-L1104 PolarHBondContact O-N 2.87Å; L1104-M1107 HydrophobicContact CD2-CE 3.9Å; L1104-M1107 PolarHBondContact O-N 3.33Å; L1104-E1108 WeakPolarHBondContact O-CB 3.44Å; L1104-E1108 PolarHBondContact O-N 2.81Å |
| 1105 | A | 76.7 | Confident | 78 | Confident | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q1101 L1102 M1107 E1108 V1109 | Q1101-A1105 WeakPolarHBondContact O-CB 3.44Å; Q1101-A1105 PolarHBondContact O-N 3.44Å; L1102-A1105 PolarHBondContact O-N 3.4Å; L1102-A1105 VanDerWaalsContact O-N 3.12Å; A1105-M1107 VanDerWaalsContact C-N 3.26Å; A1105-M1107 PolarHBondContact O-N 3.11Å; A1105-E1108 PolarHBondContact O-N 3.39Å; A1105-V1109 WeakPolarHBondContact O-CB 3.49Å; A1105-V1109 VanDerWaalsContact O-CG2 3.29Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; A1105-V1109 PolarHBondContact O-N 2.73Å |
| 1106 | E | 79.4 | Confident | 77.3 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 172.3 | -72.4 | 173.8 | 164 | 0 | 0 | 111.3 | L1102 G1110 | L1102-E1106 WeakPolarHBondContact O-CB 3.44Å; L1102-E1106 WeakPolarHBondContact O-CG 3.48Å; L1102-E1106 PolarHBondContact O-N 2.81Å; E1106-G1110 PolarHBondContact O-N 2.71Å |
| 1107 | M | 74.9 | Confident | 77 | Confident | 108 Ų | 108 | 102.2 Ų | 102.2 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -42.3 | 175.6 | -171 | -174 | 75.8 | 0 | 0 | 113.2 | L1103 L1104 A1105 V1109 G1110 I1111 | L1103-M1107 VanDerWaalsContact O-CB 3.26Å; L1103-M1107 WeakPolarHBondContact O-CB 3.25Å; L1103-M1107 PolarHBondContact O-N 2.93Å; L1104-M1107 HydrophobicContact CD2-CE 3.9Å; L1104-M1107 PolarHBondContact O-N 3.33Å; A1105-M1107 VanDerWaalsContact C-N 3.26Å; A1105-M1107 PolarHBondContact O-N 3.11Å; M1107-V1109 VanDerWaalsContact C-N 3.34Å; M1107-G1110 PolarHBondContact O-N 2.95Å; M1107-I1111 HydrophobicContact CG-CD1 4.12Å; M1107-I1111 VanDerWaalsContact O-CG1 3.31Å; M1107-I1111 WeakPolarHBondContact O-CG1 3.43Å; M1107-I1111 PolarHBondContact O-N 2.7Å |
| 1108 | E | 75.1 | Confident | 76.6 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -37.8 | 177.1 | -161.5 | 168 | -166.5 | 0 | 0 | 110.3 | K937 L1104 A1105 E1112 | K937-E1108 IonicContact NZ-OE1 3.69Å; K937-E1108 PolarHBondContact NZ-OE1 3.05Å; L1104-E1108 WeakPolarHBondContact O-CB 3.44Å; L1104-E1108 PolarHBondContact O-N 2.81Å; A1105-E1108 PolarHBondContact O-N 3.39Å; E1108-E1112 PolarHBondContact O-N 2.84Å |
| 1109 | V | 73.9 | Confident | 75.9 | Confident | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 170.4 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | A1105 M1107 E1112 R1113 | A1105-V1109 WeakPolarHBondContact O-CB 3.49Å; A1105-V1109 VanDerWaalsContact O-CG2 3.29Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; A1105-V1109 PolarHBondContact O-N 2.73Å; M1107-V1109 VanDerWaalsContact C-N 3.34Å; V1109-E1112 PolarHBondContact O-N 3.26Å; V1109-R1113 VanDerWaalsContact O-CB 3.32Å; V1109-R1113 WeakPolarHBondContact O-CB 3.37Å; V1109-R1113 PolarHBondContact O-N 3.29Å |
| 1110 | G | 73.8 | Confident | 75 | Confident | 27 Ų | 27 | 100.8 Ų | 100.8 | 28% | 0.278 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E1106 M1107 E1112 R1113 D1114 | E1106-G1110 PolarHBondContact O-N 2.71Å; M1107-G1110 PolarHBondContact O-N 2.95Å; G1110-E1112 PolarHBondContact O-N 3.17Å; G1110-R1113 WeakPolarHBondContact O-CB 3.4Å; G1110-R1113 PolarHBondContact O-N 2.91Å; G1110-R1113 VanDerWaalsContact O-N 3.15Å; G1110-D1114 PolarHBondContact O-N 2.91Å |
| 1111 | I | 71.6 | Confident | 74.1 | Confident | 92 Ų | 92 | 96 Ų | 96 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.5 | -66.5 | 163.1 | 0 | 0 | 0 | 111.1 | M1107 R1113 D1114 D1115 | M1107-I1111 HydrophobicContact CG-CD1 4.12Å; M1107-I1111 VanDerWaalsContact O-CG1 3.31Å; M1107-I1111 WeakPolarHBondContact O-CG1 3.43Å; M1107-I1111 PolarHBondContact O-N 2.7Å; I1111-R1113 VanDerWaalsContact C-N 3.29Å; I1111-R1113 PolarHBondContact O-N 3.23Å; I1111-D1114 PolarHBondContact O-N 3Å; I1111-D1115 WeakPolarHBondContact O-CB 3.32Å; I1111-D1115 PolarHBondContact O-N 2.63Å |
| 1112 | E | 69.7 | Low | 73.2 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 175.3 | -160.3 | -156.9 | 128.5 | 0 | 0 | 111.8 | E1108 V1109 G1110 R1116 | E1108-E1112 PolarHBondContact O-N 2.84Å; V1109-E1112 PolarHBondContact O-N 3.26Å; G1110-E1112 PolarHBondContact O-N 3.17Å; E1112-R1116 WeakPolarHBondContact O-CB 3.42Å; E1112-R1116 WeakPolarHBondContact O-CG 3.29Å; E1112-R1116 PolarHBondContact O-N 3.43Å; E1112-R1116 VanDerWaalsContact OE1-CD 3.22Å; E1112-R1116 WeakPolarHBondContact OE1-CD 3.46Å; E1112-R1116 IonicContact OE1-CZ 2.71Å; E1112-R1116 IonicContact OE1-NE 3.51Å; E1112-R1116 IonicContact OE1-NH1 3.87Å; E1112-R1116 PolarHBondContact OE1-NH1 3.3Å |
| 1113 | R | 77.1 | Confident | 72.2 | Confident | 158 Ų | 158 | 92.3 Ų | 92.3 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 176.8 | -160.2 | -178.3 | -161.4 | 97.4 | -2.5 | 111.4 | V1109 G1110 I1111 R1116 L1117 | V1109-R1113 VanDerWaalsContact O-CB 3.32Å; V1109-R1113 WeakPolarHBondContact O-CB 3.37Å; V1109-R1113 PolarHBondContact O-N 3.29Å; G1110-R1113 WeakPolarHBondContact O-CB 3.4Å; G1110-R1113 PolarHBondContact O-N 2.91Å; G1110-R1113 VanDerWaalsContact O-N 3.15Å; I1111-R1113 VanDerWaalsContact C-N 3.29Å; I1111-R1113 PolarHBondContact O-N 3.23Å; R1113-R1116 PolarHBondContact O-N 3.23Å; R1113-L1117 HydrophobicContact CG-CD1 4.37Å; R1113-L1117 WeakPolarHBondContact O-CB 3.47Å; R1113-L1117 VanDerWaalsContact O-CG 3.29Å; R1113-L1117 WeakPolarHBondContact O-CG 3.42Å; R1113-L1117 PolarHBondContact O-N 3.42Å |
| 1114 | D | 74.3 | Confident | 70.8 | Confident | 101 Ų | 101 | 93 Ų | 93 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 176.5 | -72.6 | -14.7 | 0 | 0 | 0 | 112.1 | G1110 I1111 R1116 L1117 R1118 | G1110-D1114 PolarHBondContact O-N 2.91Å; I1111-D1114 PolarHBondContact O-N 3Å; D1114-R1116 VanDerWaalsContact C-N 3.33Å; D1114-R1116 PolarHBondContact O-N 2.88Å; D1114-L1117 PolarHBondContact O-N 2.8Å; D1114-R1118 WeakPolarHBondContact O-CB 3.43Å; D1114-R1118 PolarHBondContact O-N 2.72Å |
| 1115 | D | 71.9 | Confident | 69.2 | Low | 76 Ų | 76 | 92 Ų | 92 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 172.4 | -93.8 | -33.4 | 0 | 0 | 0 | 111.9 | I1111 R1118 A1119 | I1111-D1115 WeakPolarHBondContact O-CB 3.32Å; I1111-D1115 PolarHBondContact O-N 2.63Å; D1115-R1118 PolarHBondContact O-N 2.89Å; D1115-R1118 IonicContact OD1-CZ 3.35Å; D1115-R1118 IonicContact OD1-NE 3.52Å; D1115-R1118 IonicContact OD1-NH2 2.71Å; D1115-R1118 PolarHBondContact OD1-NH2 3.48Å; D1115-A1119 VanDerWaalsContact O-CB 3.28Å; D1115-A1119 WeakPolarHBondContact O-CB 3.11Å; D1115-A1119 PolarHBondContact O-N 2.89Å |
| 1116 | R | 69.8 | Low | 67.8 | Low | 167 Ų | 167 | 96.3 Ų | 96.3 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.8 | -33 | 177.9 | -68.7 | 172.4 | 77.8 | 164.5 | 3.9 | 112.5 | E1112 R1113 D1114 A1120 | E1112-R1116 WeakPolarHBondContact O-CB 3.42Å; E1112-R1116 WeakPolarHBondContact O-CG 3.29Å; E1112-R1116 PolarHBondContact O-N 3.43Å; E1112-R1116 VanDerWaalsContact OE1-CD 3.22Å; E1112-R1116 WeakPolarHBondContact OE1-CD 3.46Å; E1112-R1116 IonicContact OE1-CZ 2.71Å; E1112-R1116 IonicContact OE1-NE 3.51Å; E1112-R1116 IonicContact OE1-NH1 3.87Å; E1112-R1116 PolarHBondContact OE1-NH1 3.3Å; R1113-R1116 PolarHBondContact O-N 3.23Å; D1114-R1116 VanDerWaalsContact C-N 3.33Å; D1114-R1116 PolarHBondContact O-N 2.88Å; R1116-A1120 VanDerWaalsContact O-CB 3.3Å; R1116-A1120 WeakPolarHBondContact O-CB 3.35Å; R1116-A1120 PolarHBondContact O-N 3.29Å |
| 1117 | L | 72 | Confident | 66.1 | Low | 88 Ų | 88 | 94.9 Ų | 94.9 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 168.9 | -77.8 | 166.6 | 0 | 0 | 0 | 111.3 | R1113 D1114 A1120 A1121 | R1113-L1117 HydrophobicContact CG-CD1 4.37Å; R1113-L1117 WeakPolarHBondContact O-CB 3.47Å; R1113-L1117 VanDerWaalsContact O-CG 3.29Å; R1113-L1117 WeakPolarHBondContact O-CG 3.42Å; R1113-L1117 PolarHBondContact O-N 3.42Å; D1114-L1117 PolarHBondContact O-N 2.8Å; L1117-A1120 PolarHBondContact O-N 2.85Å; L1117-A1121 VanDerWaalsContact O-CB 3.31Å; L1117-A1121 WeakPolarHBondContact O-CB 3.19Å; L1117-A1121 PolarHBondContact O-N 3.42Å |
| 1118 | R | 73.9 | Confident | 64.3 | Low | 149 Ų | 149 | 95.6 Ų | 95.6 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 174.1 | 175.7 | 161.1 | 56.6 | -156.3 | -0.4 | 112 | D1114 D1115 N1122 | D1114-R1118 WeakPolarHBondContact O-CB 3.43Å; D1114-R1118 PolarHBondContact O-N 2.72Å; D1115-R1118 PolarHBondContact O-N 2.89Å; D1115-R1118 IonicContact OD1-CZ 3.35Å; D1115-R1118 IonicContact OD1-NE 3.52Å; D1115-R1118 IonicContact OD1-NH2 2.71Å; D1115-R1118 PolarHBondContact OD1-NH2 3.48Å; R1118-N1122 VanDerWaalsContact O-CB 3.31Å; R1118-N1122 WeakPolarHBondContact O-CB 3.31Å; R1118-N1122 PolarHBondContact O-N 3.24Å |
| 1119 | A | 69.1 | Low | 62.1 | Low | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | D1115 N1122 A1123 | D1115-A1119 VanDerWaalsContact O-CB 3.28Å; D1115-A1119 WeakPolarHBondContact O-CB 3.11Å; D1115-A1119 PolarHBondContact O-N 2.89Å; A1119-N1122 PolarHBondContact O-N 3.44Å; A1119-A1123 VanDerWaalsContact O-CB 3.3Å; A1119-A1123 WeakPolarHBondContact O-CB 3.26Å; A1119-A1123 PolarHBondContact O-N 3.03Å |
| 1120 | A | 65.1 | Low | 60.5 | Low | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1116 L1117 A1123 M1124 | R1116-A1120 VanDerWaalsContact O-CB 3.3Å; R1116-A1120 WeakPolarHBondContact O-CB 3.35Å; R1116-A1120 PolarHBondContact O-N 3.29Å; L1117-A1120 PolarHBondContact O-N 2.85Å; A1120-A1123 PolarHBondContact O-N 2.9Å; A1120-M1124 HydrophobicContact CB-CE 4.37Å; A1120-M1124 WeakPolarHBondContact O-CB 3.47Å; A1120-M1124 WeakPolarHBondContact O-CE 3.17Å; A1120-M1124 WeakPolarHBondContact O-CG 3.48Å; A1120-M1124 PolarHBondContact O-N 2.84Å |
| 1121 | A | 63.6 | Low | 58.4 | Low | 51 Ų | 51 | 102.8 Ų | 102.8 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1117 M1124 A1125 | L1117-A1121 VanDerWaalsContact O-CB 3.31Å; L1117-A1121 WeakPolarHBondContact O-CB 3.19Å; L1117-A1121 PolarHBondContact O-N 3.42Å; A1121-M1124 PolarHBondContact O-N 3.16Å; A1121-A1125 WeakPolarHBondContact O-CB 3.26Å; A1121-A1125 PolarHBondContact O-N 3.06Å |
| 1122 | N | 63.5 | Low | 56.4 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.7 | -38.8 | 173.3 | -72.3 | -6.8 | 0 | 0 | 0 | 111.9 | R1118 A1119 A1125 L1126 | R1118-N1122 VanDerWaalsContact O-CB 3.31Å; R1118-N1122 WeakPolarHBondContact O-CB 3.31Å; R1118-N1122 PolarHBondContact O-N 3.24Å; A1119-N1122 PolarHBondContact O-N 3.44Å; N1122-A1125 PolarHBondContact O-N 2.85Å; N1122-L1126 WeakPolarHBondContact O-CB 3.39Å; N1122-L1126 VanDerWaalsContact O-CG 3.23Å; N1122-L1126 WeakPolarHBondContact O-CG 3.48Å; N1122-L1126 PolarHBondContact O-N 2.86Å |
| 1123 | A | 61.1 | Low | 54.6 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1119 A1120 L1126 A1127 | A1119-A1123 VanDerWaalsContact O-CB 3.3Å; A1119-A1123 WeakPolarHBondContact O-CB 3.26Å; A1119-A1123 PolarHBondContact O-N 3.03Å; A1120-A1123 PolarHBondContact O-N 2.9Å; A1123-L1126 PolarHBondContact O-N 3.4Å; A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 2.96Å |
| 1124 | M | 51 | Low | 52.2 | Low | 128 Ų | 128 | 103.7 Ų | 103.7 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69 | -38.8 | 173.2 | -73.8 | -177.4 | -76.5 | 0 | 0 | 112 | A1120 A1121 A1127 V1128 | A1120-M1124 HydrophobicContact CB-CE 4.37Å; A1120-M1124 WeakPolarHBondContact O-CB 3.47Å; A1120-M1124 WeakPolarHBondContact O-CE 3.17Å; A1120-M1124 WeakPolarHBondContact O-CG 3.48Å; A1120-M1124 PolarHBondContact O-N 2.84Å; A1121-M1124 PolarHBondContact O-N 3.16Å; M1124-A1127 PolarHBondContact O-N 3.04Å; M1124-V1128 WeakPolarHBondContact O-CG2 3.3Å; M1124-V1128 PolarHBondContact O-N 3.15Å |
| 1125 | A | 46.4 | Very low | 50.3 | Low | 63 Ų | 63 | 107.6 Ų | 107.6 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1121 N1122 V1128 | A1121-A1125 WeakPolarHBondContact O-CB 3.26Å; A1121-A1125 PolarHBondContact O-N 3.06Å; N1122-A1125 PolarHBondContact O-N 2.85Å; A1125-V1128 CarbonylContact O-C 3.59Å; A1125-V1128 PolarHBondContact O-N 2.96Å; A1125-V1128 VanDerWaalsContact O-N 3.17Å |
| 1126 | L | 47.3 | Very low | 48.1 | Very low | 139 Ų | 139 | 108.6 Ų | 108.6 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.1 | -26.6 | 175.3 | -71.2 | 167.8 | 0 | 0 | 0 | 113 | N1122 A1123 V1128 | N1122-L1126 WeakPolarHBondContact O-CB 3.39Å; N1122-L1126 VanDerWaalsContact O-CG 3.23Å; N1122-L1126 WeakPolarHBondContact O-CG 3.48Å; N1122-L1126 PolarHBondContact O-N 2.86Å; A1123-L1126 PolarHBondContact O-N 3.4Å; L1126-V1128 PolarHBondContact O-N 3Å |
| 1127 | A | 43.2 | Very low | 46.3 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -12.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | A1123 M1124 | A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 2.96Å; M1124-A1127 PolarHBondContact O-N 3.04Å |
| 1128 | V | 37.3 | Very low | 44.2 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 75% | 0.745 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -100.9 | 58.3 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | M1124 A1125 L1126 | M1124-V1128 WeakPolarHBondContact O-CG2 3.3Å; M1124-V1128 PolarHBondContact O-N 3.15Å; A1125-V1128 CarbonylContact O-C 3.59Å; A1125-V1128 PolarHBondContact O-N 2.96Å; A1125-V1128 VanDerWaalsContact O-N 3.17Å; L1126-V1128 PolarHBondContact O-N 3Å |
| 1129 | S | 28.9 | Very low | 42.3 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -152.9 | 140.1 | 162.2 | -79.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1130 | P | 40.6 | Very low | 40.6 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | | | trans | -91.7 | 151.1 | -161.5 | 35 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 1131 | M | 29 | Very low | 38.9 | Very low | 181 Ų | 181 | 118.2 Ų | 118.2 | 89% | 0.892 | 70% | 0.7 | S | S | * | * | | | trans | -130.4 | 115 | 154.4 | -54.1 | -161.9 | 88.7 | 0 | 0 | 107.3 | | |
| 1132 | T | 28.8 | Very low | 37.2 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | | | cis | 82.2 | 92.5 | 45 | 71.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1133 | S | 32.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | trans | -171.4 | 109.7 | 137.5 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1134 | D | 27.2 | Very low | 34 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | 26.9 | 124.8 | 140.1 | -45.5 | -41 | 0 | 0 | 0 | 121.8 | | |
| 1135 | I | 33.9 | Very low | 32.8 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 94% | 0.938 | 75% | 0.75 | S | S | * | * | | | | -157.4 | 145.7 | 114.6 | -98.4 | 155.7 | 0 | 0 | 0 | 107.8 | | |
| 1136 | A | 26.6 | Very low | 31.9 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | | | trans | -115.7 | 143.4 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1137 | C | 31.1 | Very low | 31 | Very low | 125 Ų | 125 | 126 Ų | 126 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -155.9 | 83.4 | 156.5 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1138 | N | 29.1 | Very low | 30.3 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | 22.4 | 117.3 | 135.1 | -92.9 | 3.6 | 0 | 0 | 0 | 117.7 | | |
| 1139 | I | 33.9 | Very low | 29.7 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | | -178.1 | 142.6 | 71.3 | -98.4 | 144.8 | 0 | 0 | 0 | 112.5 | | |
| 1140 | D | 32.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | | | trans | 20.1 | 123.8 | 157.8 | -64.4 | -64.8 | 0 | 0 | 0 | 126 | | |
| 1141 | K | 30.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | | 54.8 | 145.6 | 117.6 | -61.3 | 170.9 | -174.4 | 128.4 | 0 | 120.7 | | |
| 1142 | S | 28.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | cis | -175.1 | 147.3 | -5.5 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1143 | G | 29.2 | Very low | 28.8 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | 166.8 | 97.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1144 | L | 26.6 | Very low | 28.5 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | 40.6 | 117.2 | 142.4 | -72.1 | 166.9 | 0 | 0 | 0 | 123.8 | | |
| 1145 | S | 26.1 | Very low | 28.5 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | 55.2 | 121.3 | 130.8 | 65.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1146 | S | 28.3 | Very low | 28.1 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 57.8 | 115.2 | 142.5 | 64.6 | 0 | 0 | 0 | 0 | 121 | | |
| 1147 | V | 28.7 | Very low | 28.2 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | | | | -165.2 | 153.9 | 116.7 | 138.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1148 | S | 28 | Very low | 28 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | -64.1 | 149 | 177 | -51.2 | 0 | 0 | 0 | 0 | 113 | | |
| 1149 | N | 25.3 | Very low | 28 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | | -169.4 | 155.5 | 125.3 | -100.2 | -23.9 | 0 | 0 | 0 | 113.7 | | |
| 1150 | C | 23.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -76 | 146.7 | 174.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1151 | I | 29.3 | Very low | 27.6 | Very low | 165 Ų | 165 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -128 | 119.2 | 157.4 | -58.6 | -179.2 | 0 | 0 | 0 | 108 | | |
| 1152 | H | 25.3 | Very low | 27.4 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -116.6 | 125.4 | 170.7 | -161.5 | 134.9 | 0 | 0 | 0 | 106.3 | | |
| 1153 | Y | 28.7 | Very low | 27.6 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -145.6 | 122.1 | 168.5 | -124.3 | -84 | 0 | 0 | 0 | 110.9 | | |
| 1154 | N | 26.6 | Very low | 27.7 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | -88 | 151.9 | 167.8 | -78.6 | -78.2 | 0 | 0 | 0 | 109.3 | | |
| 1155 | Y | 27.3 | Very low | 27.8 | Very low | 222 Ų | 222 | 146.6 Ų | 146.6 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | | | trans | -151.7 | 156.3 | 136.4 | -121.4 | -80.3 | 0 | 0 | 0 | 110.4 | | |
| 1156 | C | 25.7 | Very low | 28.3 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | -144.1 | 173.1 | -172.1 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1157 | V | 29.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | 92.2 | 102.9 | 167.1 | -171.6 | 0 | 0 | 0 | 0 | 118 | | |
| 1158 | R | 27 | Very low | 28.6 | Very low | 221 Ų | 221 | 151.1 Ų | 151.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | trans | 46 | 118 | 134.5 | -69.1 | 178.3 | 178.6 | 141.6 | 1.3 | 120.5 | | |
| 1159 | H | 28.4 | Very low | 28.8 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | | | | 77.6 | 114.9 | 76.3 | -93 | -97 | 0 | 0 | 0 | 116.1 | | |
| 1160 | H | 27.8 | Very low | 29 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | | | | 178.1 | 136.7 | 116.8 | -109.2 | -88.7 | 0 | 0 | 0 | 114 | | |
| 1161 | H | 29 | Very low | 29.4 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | | | trans | 51.9 | 152.3 | 142.6 | -72.9 | 0.8 | 0 | 0 | 0 | 122.7 | | |
| 1162 | H | 27.6 | Very low | 29.6 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | cis | -165.1 | -164.8 | -20.9 | -135.4 | -46 | 0 | 0 | 0 | 109.7 | | |
| 1163 | H | 31.8 | Very low | 30 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | | | trans | 72.5 | 122.9 | -178.1 | -74 | -98.7 | 0 | 0 | 0 | 116.4 | | |
| 1164 | H | 31.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | | 85.5 | 137.2 | 58.4 | -84.3 | -72.6 | 0 | 0 | 0 | 112.6 | | |
| 1165 | D | 29 | Very low | 30.4 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | cis | -169.6 | -171.1 | -14.8 | -146 | -38.3 | 0 | 0 | 0 | 111.1 | | |
| 1166 | H | 35.8 | Very low | 30.5 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 68% | 0.676 | 71% | 0.71 | S | S | * | * | | | trans | 80.9 | 117.1 | 172 | -66.4 | -53.6 | 0 | 0 | 0 | 116.5 | | |
| 1167 | Q | 30.5 | Very low | 30.8 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | | | | 74.5 | 140.1 | 74.6 | -74.1 | -176.5 | 35.9 | 0 | 0 | 113.2 | | |
| 1168 | Q | 33.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | | | cis | -152.4 | 135.2 | 26.1 | -117.9 | 151.5 | 52.6 | 0 | 0 | 109.4 | | |
| 1169 | Q | 32 | Very low | 30.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | | | | 92.7 | 124.9 | 91.8 | -85.4 | -168.3 | -3.6 | 0 | 0 | 119.2 | | |
| 1170 | I | 29.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 61% | 0.605 | 70% | 0.7 | S | S | * | * | | | trans | 58.2 | 120.1 | 140.4 | -43.5 | 162.4 | 0 | 0 | 0 | 117.2 | | |
| 1171 | H | 31.4 | Very low | 30.7 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | | | | -160.3 | 156 | 70.5 | -74.7 | 74.5 | 0 | 0 | 0 | 109.8 | | |
| 1172 | S | 33.2 | Very low | 30.7 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | | | cis | -165.2 | 159.5 | -5.4 | -101.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1173 | N | 33.2 | Very low | 30.6 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | 68.1 | 143.8 | 167.8 | -51.4 | -22.1 | 0 | 0 | 0 | 115.9 | | |
| 1174 | N | 32.2 | Very low | 30.5 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | cis | -170.8 | 162.2 | -10.3 | -100.8 | -14.9 | 0 | 0 | 0 | 106.9 | | |
| 1175 | V | 33 | Very low | 30.3 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | | | cis | -156.5 | 173.1 | 3.9 | 105.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1176 | Y | 29.3 | Very low | 30.3 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | | | trans | -51.5 | 169.3 | 170.4 | -64.2 | -91 | 0 | 0 | 0 | 116.8 | | |
| 1177 | N | 30.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | | | cis | -148.3 | 148 | 12 | -112.1 | -16.7 | 0 | 0 | 0 | 107.5 | | |
| 1178 | V | 29 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | | | | 65.3 | 136.3 | 54 | 170.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1179 | Q | 26.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | | | cis | -178.3 | 144.2 | -13.2 | 171.5 | 69 | -4.9 | 0 | 0 | 106.3 | H1181 | Q1179-H1181 PolarHBondContact NE2-CD2 3.31Å; Q1179-H1181 VanDerWaalsContact NE2-CD2 3.29Å; Q1179-H1181 PolarHBondContact NE2-NE2 3.25Å; Q1179-H1181 VanDerWaalsContact NE2-NE2 3.18Å |
| 1180 | Q | 30.1 | Very low | 28.9 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | | | trans | -179.3 | 144.5 | 136.1 | -100.9 | 163.3 | 22.7 | 0 | 0 | 113.6 | | |
| 1181 | H | 26.4 | Very low | 28.8 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | | | trans | -93.5 | 166.7 | 175.6 | -65.1 | -145.1 | 0 | 0 | 0 | 109.8 | Q1179 | Q1179-H1181 PolarHBondContact NE2-CD2 3.31Å; Q1179-H1181 VanDerWaalsContact NE2-CD2 3.29Å; Q1179-H1181 PolarHBondContact NE2-NE2 3.25Å; Q1179-H1181 VanDerWaalsContact NE2-NE2 3.18Å |
| 1182 | I | 28.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 91% | 0.908 | 67% | 0.665 | S | S | * | * | | | | -156 | 155.6 | 116.1 | -102 | 154 | 0 | 0 | 0 | 109.1 | | |
| 1183 | A | 24.3 | Very low | 28.1 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | | | trans | -84.8 | 158.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1184 | L | 30.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | | | trans | -149.5 | 98.6 | 142.1 | -102.1 | -179.4 | 0 | 0 | 0 | 111.2 | | |
| 1185 | N | 26.6 | Very low | 27.6 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | | | trans | 52.7 | 157.7 | 153 | -65.3 | -11 | 0 | 0 | 0 | 123 | | |
| 1186 | P | 30.1 | Very low | 27.3 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 56% | 0.558 | 63% | 0.627 | S | S | * | * | | | trans | -121.9 | -128.2 | -159.4 | 27.1 | -0.4 | 0 | 0 | 0 | 114.1 | S1446 | P1186-S1446 PolarHBondContact O-OG 2.9Š|
| 1187 | P | 35.6 | Very low | 27.2 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 40% | 0.396 | 63% | 0.629 | S | S | . | * | | | | -116.3 | -143.7 | -97.7 | 37.6 | -23.7 | 0 | 0 | 0 | 114.3 | N1445 S1446 N1447 | P1187-N1445 WeakPolarHBondContact CD-O 3.38Å; P1187-S1446 CarbonylContact C-O 3.46Å; P1187-S1446 VanDerWaalsContact C-O 3.31Å; P1187-S1446 WeakPolarHBondContact CD-O 3.26Å; P1187-S1446 WeakPolarHBondContact CD-OG 3.5Å; P1187-S1446 CarbonylContact O-C 3.4Å; P1187-N1447 PolarHBondContact O-N 2.75Å |
| 1188 | H | 22.8 | Very low | 27 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | | | trans | 58 | 148.2 | 148.9 | -109.1 | -80.7 | 0 | 0 | 0 | 124.1 | S1446 N1447 S1448 | H1188-S1446 WeakPolarHBondContact CB-O 3.37Å; H1188-N1447 CarbonylContact O-C 3.44Å; H1188-N1447 VanDerWaalsContact O-C 3.27Å; H1188-S1448 PolarHBondContact O-N 3.34Å; H1188-S1448 PolarHBondContact O-OG 2.94Å |
| 1189 | L | 21.4 | Very low | 26.9 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 46% | 0.461 | 64% | 0.636 | S | S | . | * | | | trans | 61 | 145.4 | 179.7 | -75.8 | 74.6 | 0 | 0 | 0 | 110.8 | S1448 | L1189-S1448 WeakPolarHBondContact CB-O 3.36Å; L1189-S1448 WeakPolarHBondContact O-CB 3.29Å; L1189-S1448 PolarHBondContact O-OG 2.84Å |
| 1190 | H | 22.3 | Very low | 27 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | | | cis | 173 | 158.4 | 10 | -104.9 | -179.1 | 0 | 0 | 0 | 102.6 | P1449 L1450 | H1190-P1449 CarbonylContact C-O 3.53Å; H1190-L1450 VanDerWaalsContact CB-CA 3.41Å; H1190-L1450 HydrophobicContact CB-CB 3.57Å; H1190-L1450 HydrophobicContact CB-CD1 4.13Å; H1190-L1450 HydrophobicContact CB-CG 3.73Å; H1190-L1450 WeakPolarHBondContact ND1-CB 3.09Å; H1190-L1450 PolarHBondContact ND1-N 3Å |
| 1191 | S | 27 | Very low | 26.9 | Very low | 64 Ų | 64 | 124.7 Ų | 124.7 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | | | trans | -41.3 | 152.8 | -171.7 | -171.7 | 0 | 0 | 0 | 0 | 121.8 | L1450 T1451 | S1191-L1450 VanDerWaalsContact CB-CD2 3.41Å; S1191-T1451 WeakPolarHBondContact O-CG2 3.16Å; S1191-T1451 PolarHBondContact O-N 3.11Å; S1191-T1451 PolarHBondContact O-OG1 3.46Å |
| 1192 | I | 27.5 | Very low | 27 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | | | trans | -117.3 | 133.7 | 153.3 | -101.9 | 73.2 | 0 | 0 | 0 | 114.2 | T1451 | I1192-T1451 WeakPolarHBondContact CA-OG1 3.4Å; I1192-T1451 HydrophobicContact CD1-CG2 3.85Å; I1192-T1451 HydrophobicContact CG1-CG2 4.04Å |
| 1193 | D | 22.4 | Very low | 27.1 | Very low | 54 Ų | 54 | 120.1 Ų | 120.1 | 29% | 0.289 | 63% | 0.634 | S | S | . | * | | | trans | -18 | 134 | 164.3 | -90.3 | -149.4 | 0 | 0 | 0 | 121.4 | R1195 T1451 T1452 T1453 | D1193-R1195 IonicContact OD1-NH2 3.99Å; D1193-R1195 PolarHBondContact OD1-NH2 2.66Å; D1193-T1451 PolarHBondContact N-OG1 2.68Å; D1193-T1451 WeakPolarHBondContact OD2-CB 3.18Å; D1193-T1451 PolarHBondContact OD2-OG1 3.07Å; D1193-T1452 PolarHBondContact OD2-N 2.64Å; D1193-T1453 WeakPolarHBondContact CA-OG1 3.38Å; D1193-T1453 WeakPolarHBondContact CB-OG1 3.33Å; D1193-T1453 WeakPolarHBondContact OD1-CG2 3.21Å; D1193-T1453 PolarHBondContact OD1-OG1 3.44Å; D1193-T1453 VanDerWaalsContact OD1-OG1 3.05Å; D1193-T1453 PolarHBondContact OD2-N 2.91Å |
| 1194 | H | 29 | Very low | 27.3 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 57% | 0.569 | 61% | 0.614 | S | S | * | * | | | trans | -59 | 146.4 | 157.4 | -79.4 | -127.7 | 0 | 0 | 0 | 114.5 | T1453 S1454 | H1194-T1453 VanDerWaalsContact CB-O 3.25Å; H1194-T1453 WeakPolarHBondContact CB-O 3.12Å; H1194-T1453 PolarHBondContact CD2-O 2.95Å; H1194-T1453 PolarHBondContact N-O 3Å; H1194-T1453 PolarHBondContact N-OG1 3.45Å; H1194-T1453 PolarHBondContact O-OG1 3.38Å; H1194-S1454 PolarHBondContact CD2-OG 3.49Å; H1194-S1454 PolarHBondContact CE1-OG 3.01Å; H1194-S1454 PolarHBondContact NE2-OG 2.73Å |
| 1195 | R | 25.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 115 Ų | 115 | 49% | 0.494 | 60% | 0.597 | S | S | . | * | | | | -171 | 158.1 | 124.8 | -112.4 | 157.4 | -73.2 | 149.8 | 3.4 | 118 | D1193 T1453 | D1193-R1195 IonicContact OD1-NH2 3.99Å; D1193-R1195 PolarHBondContact OD1-NH2 2.66Å; R1195-T1453 VanDerWaalsContact NH2-CG2 3.32Å; R1195-T1453 PolarHBondContact NH2-OG1 2.8Å; R1195-T1453 VanDerWaalsContact NH2-OG1 3.14Å |
| 1196 | N | 26.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | | | trans | 58.2 | 91.6 | 161.2 | -75.3 | 59.6 | 0 | 0 | 0 | 118.9 | | |
| 1197 | M | 27.6 | Very low | 28.7 | Very low | 160 Ų | 160 | 106.5 Ų | 106.5 | 79% | 0.788 | 55% | 0.549 | S | S | * | . | | | trans | -123.9 | 108.4 | 137.6 | -81.3 | -69.4 | 148.6 | 0 | 0 | 107.5 | | |
| 1198 | D | 27.1 | Very low | 29.2 | Very low | 132 Ų | 132 | 106.8 Ų | 106.8 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | | | trans | -122 | 90.7 | 173.6 | -75.9 | -51.6 | 0 | 0 | 0 | 108.4 | | |
| 1199 | N | 26.5 | Very low | 30.3 | Very low | 159 Ų | 159 | 101 Ų | 101 | 85% | 0.85 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -176.5 | 140.6 | 138.8 | -96.4 | -27.2 | 0 | 0 | 0 | 112.4 | | |
| 1200 | E | 27.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 101.8 Ų | 101.8 | 86% | 0.855 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 64.7 | 143.5 | 171.2 | -53.5 | -160.3 | 132.1 | 0 | 0 | 119.1 | | |
| 1201 | L | 28.5 | Very low | 33.4 | Very low | 174 Ų | 174 | 101.4 Ų | 101.4 | 91% | 0.911 | 55% | 0.545 | S | S | * | . | | | trans | 72.4 | 43 | 163.8 | -142.2 | 78.8 | 0 | 0 | 0 | 121.1 | | |
| 1202 | I | 29.6 | Very low | 34.8 | Very low | 163 Ų | 163 | 103.8 Ų | 103.8 | 84% | 0.836 | 55% | 0.553 | S | S | * | * | | | trans | -135.6 | 124.6 | 155.3 | -51.5 | 179.4 | 0 | 0 | 0 | 111.1 | | |
| 1203 | P | 29.9 | Very low | 36.6 | Very low | 70 Ų | 70 | 98.3 Ų | 98.3 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | | | trans | -87.4 | 161.1 | 179.7 | 34.2 | -35.1 | 0 | 0 | 0 | 114.9 | T1206 | P1203-T1206 WeakPolarHBondContact CB-OG1 3.43Å; P1203-T1206 HydrophobicContact CG-CG2 4.23Å; P1203-T1206 WeakPolarHBondContact CG-OG1 3.49Å |
| 1204 | P | 28.9 | Very low | 38.9 | Very low | 44 Ų | 44 | 98.2 Ų | 98.2 | 29% | 0.286 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 108.5 | -157.9 | 35.4 | -33.3 | 0 | 0 | 0 | 115.5 | T1206 | P1204-T1206 PolarHBondContact O-N 2.97Š|
| 1205 | I | 34.1 | Very low | 41.2 | Very low | 93 Ų | 93 | 99.8 Ų | 99.8 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 37.9 | 52.9 | -163.3 | -49.1 | -159.8 | 0 | 0 | 0 | 110.6 | K1524 | I1205-K1524 HydrophobicContact CD1-CB 3.57Å; I1205-K1524 HydrophobicContact CD1-CD 4.08Å; I1205-K1524 HydrophobicContact CD1-CG 3.63Å; I1205-K1524 HydrophobicContact CG1-CB 4.32Å; I1205-K1524 HydrophobicContact CG1-CD 4.31Å; I1205-K1524 HydrophobicContact CG1-CG 3.86Å |
| 1206 | T | 39.8 | Very low | 44.1 | Very low | 27 Ų | 27 | 97.8 Ų | 97.8 | 17% | 0.166 | 52% | 0.522 | C | S | . | . | | | trans | -64.3 | 137.5 | 152.5 | -52.3 | 0 | 0 | 0 | 0 | 107.2 | P1203 P1204 H1316 | P1203-T1206 WeakPolarHBondContact CB-OG1 3.43Å; P1203-T1206 HydrophobicContact CG-CG2 4.23Å; P1203-T1206 WeakPolarHBondContact CG-OG1 3.49Å; P1204-T1206 PolarHBondContact O-N 2.97Å; T1206-H1316 WeakPolarHBondContact CG2-CE1 3.32Å; T1206-H1316 PolarHBondContact OG1-CE1 2.94Å; T1206-H1316 PolarHBondContact OG1-NE2 3.24Å |
| 1207 | C | 43.2 | Very low | 47 | Very low | 19 Ų | 19 | 96.2 Ų | 96.2 | 13% | 0.128 | 51% | 0.511 | C | S | . | . | | | trans | -13.4 | 144.9 | 139.5 | -161.1 | 0 | 0 | 0 | 0 | 113.2 | C1209 C1213 C1318 C1325 C1328 | C1207-C1209 HydrophobicContact CB-CB 3.62Å; C1207-C1209 WeakPolarHBondContact CB-SG 3.43Å; C1207-C1209 PolarHBondContact O-N 3.22Å; C1207-C1209 WeakPolarHBondContact SG-CB 3.39Å; C1207-C1209 CovalentContact SG-SG 2.02Å; C1207-C1209 PolarHBondContact SG-SG 2.84Å; C1207-C1213 HydrophobicContact CB-CB 4.34Å; C1207-C1318 HydrophobicContact CB-CB 4.25Å; C1207-C1318 PolarHBondContact SG-SG 2.91Å; C1207-C1325 PolarHBondContact SG-SG 2.78Å; C1207-C1328 PolarHBondContact SG-SG 3.33Å |
| 1208 | C | 45.3 | Very low | 50.2 | Low | 68 Ų | 68 | 92 Ų | 92 | 46% | 0.459 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -74.2 | 45.3 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | T1327 L1331 | C1208-T1327 WeakPolarHBondContact O-CG2 3.41Å; C1208-L1331 HydrophobicContact CB-CD1 3.6Å; C1208-L1331 HydrophobicContact CB-CD2 4.25Å; C1208-L1331 HydrophobicContact CB-CG 4.4Å |
| 1209 | C | 45.5 | Very low | 53.4 | Low | 18 Ų | 18 | 88.5 Ų | 88.5 | 12% | 0.122 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -148.3 | 133.4 | -150.6 | -34.7 | 0 | 0 | 0 | 0 | 106.2 | C1207 C1213 C1325 T1327 | C1207-C1209 HydrophobicContact CB-CB 3.62Å; C1207-C1209 WeakPolarHBondContact CB-SG 3.43Å; C1207-C1209 PolarHBondContact O-N 3.22Å; C1207-C1209 WeakPolarHBondContact SG-CB 3.39Å; C1207-C1209 CovalentContact SG-SG 2.02Å; C1207-C1209 PolarHBondContact SG-SG 2.84Å; C1209-C1213 HydrophobicContact CB-CB 3.83Å; C1209-C1213 WeakPolarHBondContact CB-SG 3.44Å; C1209-C1325 PolarHBondContact SG-SG 3.43Å; C1209-T1327 VanDerWaalsContact SG-CB 3.57Å |
| 1210 | T | 52.2 | Low | 56.7 | Low | 105 Ų | 105 | 85.7 Ų | 85.7 | 64% | 0.644 | 46% | 0.455 | S | S | * | . | | | trans | -65.7 | 178.4 | -176.8 | 37.9 | 0 | 0 | 0 | 0 | 112.5 | D1212 C1213 | T1210-D1212 WeakPolarHBondContact CB-OD2 3.28Å; T1210-D1212 PolarHBondContact O-N 3.45Å; T1210-D1212 PolarHBondContact OG1-OD2 2.89Å; T1210-C1213 PolarHBondContact O-N 2.94Å |
| 1211 | S | 56.6 | Low | 60 | Low | 96 Ų | 96 | 77.1 Ų | 77.1 | 67% | 0.671 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -47.3 | -24.2 | -174 | -50.2 | 0 | 0 | 0 | 0 | 115 | C1213 I1214 | S1211-C1213 PolarHBondContact O-N 2.87Å; S1211-C1213 VanDerWaalsContact O-N 3.11Å; S1211-I1214 WeakPolarHBondContact O-CB 3.49Å; S1211-I1214 PolarHBondContact O-N 2.96Å |
| 1212 | D | 58.1 | Low | 63.2 | Low | 114 Ų | 114 | 72 Ų | 72 | 61% | 0.61 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -52.9 | -24.3 | 173.1 | -37.8 | -83.2 | 0 | 0 | 0 | 113.8 | T1210 I1214 | T1210-D1212 WeakPolarHBondContact CB-OD2 3.28Å; T1210-D1212 PolarHBondContact O-N 3.45Å; T1210-D1212 PolarHBondContact OG1-OD2 2.89Å; D1212-I1214 VanDerWaalsContact C-N 3.34Å |
| 1213 | C | 64.3 | Low | 66.4 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 14% | 0.142 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -91.8 | 16.4 | 177 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | C1207 C1209 T1210 S1211 H1316 I1317 | C1207-C1213 HydrophobicContact CB-CB 4.34Å; C1209-C1213 HydrophobicContact CB-CB 3.83Å; C1209-C1213 WeakPolarHBondContact CB-SG 3.44Å; T1210-C1213 PolarHBondContact O-N 2.94Å; S1211-C1213 PolarHBondContact O-N 2.87Å; S1211-C1213 VanDerWaalsContact O-N 3.11Å; C1213-H1316 WeakPolarHBondContact O-CA 3.3Å; C1213-H1316 PolarHBondContact O-ND1 3.37Å; C1213-I1317 PolarHBondContact O-N 2.85Å |
| 1214 | I | 71.3 | Confident | 69.5 | Low | 51 Ų | 51 | 69.4 Ų | 69.4 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.1 | 168.2 | -61.2 | 166.4 | 0 | 0 | 0 | 108.5 | S1211 D1212 Q1314 H1316 | S1211-I1214 WeakPolarHBondContact O-CB 3.49Å; S1211-I1214 PolarHBondContact O-N 2.96Å; D1212-I1214 VanDerWaalsContact C-N 3.34Å; I1214-Q1314 HydrophobicContact CG2-CB 3.94Å; I1214-Q1314 HydrophobicContact CG2-CG 4.03Å; I1214-H1316 WeakPolarHBondContact CG1-CE1 3.36Å |
| 1215 | R | 76.7 | Confident | 72.6 | Confident | 157 Ų | 157 | 68.4 Ų | 68.4 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.6 | 164.5 | -78.8 | 176.1 | 60.7 | -166.4 | -4.9 | 109.5 | V1315 I1317 | R1215-V1315 PolarHBondContact N-O 3.42Å; R1215-V1315 PolarHBondContact O-N 3.09Å; R1215-I1317 HydrophobicContact CB-CG1 4.46Å; R1215-I1317 HydrophobicContact CG-CD1 3.87Å; R1215-I1317 HydrophobicContact CG-CG1 3.82Å |
| 1216 | E | 85.9 | Confident | 75.3 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.7 | 164 | -51.9 | -151.3 | 122.6 | 0 | 0 | 109.3 | R1312 R1313 Q1314 | E1216-R1312 HydrophobicContact CB-CG 3.88Å; E1216-R1312 WeakPolarHBondContact OE2-CD 3.34Å; E1216-R1312 IonicContact OE2-NH1 3.27Å; E1216-R1312 PolarHBondContact OE2-NH1 3.34Å; E1216-R1313 CarbonylContact C-O 3.53Å; E1216-R1313 WeakPolarHBondContact CA-O 3.48Å; E1216-Q1314 HydrophobicContact CG-CG 4.17Å; E1216-Q1314 PolarHBondContact OE1-NE2 3.24Å |
| 1217 | E | 89.6 | Confident | 77.7 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.9 | 177.6 | -166.2 | -164.8 | 162.5 | 0 | 0 | 109.4 | K1219 R1313 V1315 | E1217-K1219 HydrophobicContact CG-CG 4.45Å; E1217-K1219 IonicContact OE1-NZ 2.73Å; E1217-K1219 PolarHBondContact OE1-NZ 3.09Å; E1217-K1219 WeakPolarHBondContact OE2-CE 3.41Å; E1217-K1219 IonicContact OE2-NZ 3.25Å; E1217-K1219 PolarHBondContact OE2-NZ 2.74Å; E1217-R1313 PolarHBondContact N-O 3.43Å; E1217-R1313 PolarHBondContact O-N 2.02Å; E1217-V1315 HydrophobicContact CB-CG2 4.31Å |
| 1218 | D | 93.7 | Very high | 79.8 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.9 | 172.7 | -76.6 | -26.4 | 0 | 0 | 0 | 110.2 | L1310 V1311 R1312 | D1218-L1310 HydrophobicContact CB-CD1 4.32Å; D1218-V1311 CarbonylContact C-O 3.56Å; D1218-V1311 WeakPolarHBondContact CA-O 3.44Å; D1218-R1312 VanDerWaalsContact OD1-CB 3.25Å; D1218-R1312 WeakPolarHBondContact OD1-CB 3.34Å; D1218-R1312 WeakPolarHBondContact OD1-CG 3.45Å; D1218-R1312 IonicContact OD1-CZ 3.63Å; D1218-R1312 IonicContact OD1-NE 3.34Å; D1218-R1312 PolarHBondContact OD1-NE 2.91Å; D1218-R1312 IonicContact OD1-NH2 2.82Å; D1218-R1312 PolarHBondContact OD1-NH2 2.98Å; D1218-R1312 IonicContact OD2-CZ 3.25Å; D1218-R1312 IonicContact OD2-NE 2.68Å; D1218-R1312 IonicContact OD2-NH2 3.65Å; D1218-R1312 PolarHBondContact OD2-NH2 2.71Å |
| 1219 | K | 94.8 | Very high | 82 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.3 | 178.4 | -63.6 | -176.6 | -172.2 | -72.2 | 0 | 110.3 | E1217 I1221 V1311 | E1217-K1219 HydrophobicContact CG-CG 4.45Å; E1217-K1219 IonicContact OE1-NZ 2.73Å; E1217-K1219 PolarHBondContact OE1-NZ 3.09Å; E1217-K1219 WeakPolarHBondContact OE2-CE 3.41Å; E1217-K1219 IonicContact OE2-NZ 3.25Å; E1217-K1219 PolarHBondContact OE2-NZ 2.74Å; K1219-I1221 HydrophobicContact CB-CG1 4.46Å; K1219-V1311 HydrophobicContact CB-CG2 4.19Å; K1219-V1311 PolarHBondContact N-O 3.24Å; K1219-V1311 PolarHBondContact O-N 3.39Å |
| 1220 | L | 95.9 | Very high | 84.3 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.5 | 170.4 | -175.1 | 66.1 | 0 | 0 | 0 | 109.1 | N1308 L1310 | L1220-N1308 HydrophobicContact CD1-CB 4.22Å; L1220-L1310 HydrophobicContact CB-CD1 4.35Å |
| 1221 | I | 96.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.9 | -177.1 | -59.7 | 175.8 | 0 | 0 | 0 | 109.1 | K1219 L1223 Q1271 L1272 L1309 V1311 | K1219-I1221 HydrophobicContact CB-CG1 4.46Å; I1221-L1223 HydrophobicContact CG2-CD2 3.95Å; I1221-L1223 HydrophobicContact CG2-CG 4.07Å; I1221-Q1271 HydrophobicContact CD1-CB 4.23Å; I1221-Q1271 HydrophobicContact CG1-CB 4.21Å; I1221-Q1271 HydrophobicContact CG2-CB 4.11Å; I1221-L1272 HydrophobicContact CD1-CB 4.14Å; I1221-L1272 HydrophobicContact CD1-CD1 3.77Å; I1221-L1272 HydrophobicContact CG2-CB 4.45Å; I1221-L1309 PolarHBondContact N-O 3.09Å; I1221-L1309 PolarHBondContact O-N 2.83Å; I1221-V1311 HydrophobicContact CD1-CG2 3.53Å; I1221-V1311 HydrophobicContact CG1-CG2 4.22Å |
| 1222 | T | 96.1 | Very high | 88.1 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 92.1 | -168.3 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | I1306 | T1222-I1306 HydrophobicContact CG2-CG2 3.42Å; T1222-I1306 VanDerWaalsContact CG2-CG2 3.42Å |
| 1223 | L | 96.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.7 | -175.6 | -61.9 | -175.2 | 0 | 0 | 0 | 112.1 | I1221 K1225 L1230 F1232 A1266 D1269 L1272 V1307 L1309 | I1221-L1223 HydrophobicContact CG2-CD2 3.95Å; I1221-L1223 HydrophobicContact CG2-CG 4.07Å; L1223-K1225 PolarHBondContact O-N 3.32Å; L1223-L1230 HydrophobicContact CB-CD2 3.84Å; L1223-L1230 HydrophobicContact CD1-CD2 4.48Å; L1223-F1232 HydrophobicContact CD1-CD1 4.22Å; L1223-F1232 HydrophobicContact CD1-CE1 3.92Å; L1223-A1266 HydrophobicContact CD1-CB 3.81Å; L1223-D1269 HydrophobicContact CD2-CB 3.45Å; L1223-D1269 VanDerWaalsContact CD2-CB 3.45Å; L1223-D1269 WeakPolarHBondContact CD2-OD2 3.3Å; L1223-L1272 HydrophobicContact CD1-CD2 4.24Å; L1223-V1307 PolarHBondContact N-O 2.9Å; L1223-V1307 PolarHBondContact O-N 2.89Å; L1223-L1309 HydrophobicContact CD1-CD1 3.85Å; L1223-L1309 HydrophobicContact CG-CD1 4.41Å |
| 1224 | R | 94.6 | Very high | 91.3 | Very high | 176 Ų | 176 | 57.7 Ų | 57.7 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.3 | 168.5 | -171.3 | -178.5 | 178.5 | -145.5 | 0.7 | 110.3 | S1226 S1265 G1304 S1305 | R1224-S1226 PolarHBondContact O-N 3.11Å; R1224-S1265 VanDerWaalsContact O-CB 3.24Å; R1224-S1265 WeakPolarHBondContact O-CB 3.37Å; R1224-S1265 PolarHBondContact O-OG 3.05Å; R1224-G1304 WeakPolarHBondContact CG-O 3.47Å; R1224-G1304 PolarHBondContact NE-O 3.23Å; R1224-G1304 VanDerWaalsContact NE-O 3.16Å; R1224-S1305 CarbonylContact C-O 3.57Å; R1224-S1305 WeakPolarHBondContact CA-O 3.33Å |
| 1225 | K | 94.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 57 Ų | 57 | 10% | 0.1 | 30% | 0.298 | C | S | . | . | | | trans | -61.3 | 116.4 | -179.7 | -172.7 | 167.4 | 179.5 | 175.9 | 0 | 111 | L1223 L1230 L1298 R1299 K1301 G1304 S1305 | L1223-K1225 PolarHBondContact O-N 3.32Å; K1225-L1230 HydrophobicContact CB-CD2 3.87Å; K1225-L1230 HydrophobicContact CB-CG 4.28Å; K1225-L1230 HydrophobicContact CD-CG 4.38Å; K1225-L1230 HydrophobicContact CG-CD2 4.27Å; K1225-L1230 HydrophobicContact CG-CG 4.13Å; K1225-L1298 PolarHBondContact NZ-O 2.85Å; K1225-R1299 PolarHBondContact NZ-O 2.74Å; K1225-K1301 HydrophobicContact CD-CB 4.27Å; K1225-K1301 WeakPolarHBondContact CD-O 3.5Å; K1225-K1301 WeakPolarHBondContact CE-O 3.32Å; K1225-K1301 PolarHBondContact NZ-O 2.9Å; K1225-G1304 VanDerWaalsContact O-CA 3.32Å; K1225-G1304 WeakPolarHBondContact O-CA 3.17Å; K1225-G1304 PolarHBondContact O-N 2.87Å; K1225-S1305 PolarHBondContact N-O 3.12Å |
| 1226 | S | 91.3 | Very high | 93 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 178.5 | 177.8 | 69.2 | 0 | 0 | 0 | 0 | 112 | R1224 S1228 G1229 S1265 | R1224-S1226 PolarHBondContact O-N 3.11Å; S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact OG-N 2.85Å; S1226-S1228 PolarHBondContact OG-OG 2.81Å; S1226-G1229 PolarHBondContact N-O 3.21Å; S1226-G1229 WeakPolarHBondContact O-CA 3.33Å; S1226-G1229 PolarHBondContact O-N 2.89Å; S1226-G1229 PolarHBondContact OG-N 2.88Å; S1226-G1229 PolarHBondContact OG-O 3.04Å; S1226-S1265 WeakPolarHBondContact CB-OG 3.21Å; S1226-S1265 PolarHBondContact N-OG 2.86Å; S1226-S1265 VanDerWaalsContact N-OG 3.11Å; S1226-S1265 PolarHBondContact OG-OG 3.37Å |
| 1227 | S | 90.1 | Very high | 93 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 80% | 0.797 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.7 | 169.3 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | G1229 | S1227-G1229 PolarHBondContact O-N 2.94Š|
| 1228 | S | 87 | Confident | 92.3 | Very high | 72 Ų | 72 | 54 Ų | 54 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 16 | 167.3 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | S1226 | S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact OG-N 2.85Å; S1226-S1228 PolarHBondContact OG-OG 2.81Å |
| 1229 | G | 91.7 | Very high | 91.2 | Very high | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | 76 | -145.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1226 S1227 S1265 | S1226-G1229 PolarHBondContact N-O 3.21Å; S1226-G1229 WeakPolarHBondContact O-CA 3.33Å; S1226-G1229 PolarHBondContact O-N 2.89Å; S1226-G1229 PolarHBondContact OG-N 2.88Å; S1226-G1229 PolarHBondContact OG-O 3.04Å; S1227-G1229 PolarHBondContact O-N 2.94Å; G1229-S1265 PolarHBondContact O-OG 2.88Å |
| 1230 | L | 94.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -11.7 | -178.3 | -72.3 | 167.7 | 0 | 0 | 0 | 114 | L1223 K1225 F1232 S1265 A1266 L1298 V1307 | L1223-L1230 HydrophobicContact CB-CD2 3.84Å; L1223-L1230 HydrophobicContact CD1-CD2 4.48Å; K1225-L1230 HydrophobicContact CB-CD2 3.87Å; K1225-L1230 HydrophobicContact CB-CG 4.28Å; K1225-L1230 HydrophobicContact CD-CG 4.38Å; K1225-L1230 HydrophobicContact CG-CD2 4.27Å; K1225-L1230 HydrophobicContact CG-CG 4.13Å; L1230-F1232 HydrophobicContact CB-CD1 3.97Å; L1230-F1232 HydrophobicContact CB-CE1 3.62Å; L1230-F1232 HydrophobicContact CB-CZ 4.42Å; L1230-F1232 HydrophobicContact CD1-CE1 4.13Å; L1230-F1232 HydrophobicContact CD1-CZ 4.29Å; L1230-F1232 HydrophobicContact CG-CE1 4.42Å; L1230-S1265 PolarHBondContact O-N 3.25Å; L1230-A1266 WeakPolarHBondContact O-CB 3.48Å; L1230-A1266 PolarHBondContact O-N 3.32Å; L1230-L1298 HydrophobicContact CD1-CB 4.32Å; L1230-L1298 HydrophobicContact CD1-CD2 3.71Å; L1230-L1298 HydrophobicContact CD1-CG 4.5Å; L1230-V1307 HydrophobicContact CD1-CG1 4.45Å; L1230-V1307 HydrophobicContact CD1-CG2 4.45Å; L1230-V1307 HydrophobicContact CD2-CB 4.24Å; L1230-V1307 HydrophobicContact CD2-CG2 4.21Å |
| 1231 | G | 94.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | | | trans | 73.4 | 36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1261 | G1231-L1261 PolarHBondContact O-N 2.89Š|
| 1232 | F | 95.1 | Very high | 84.1 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 164.3 | 169.4 | 62.3 | -94.8 | 0 | 0 | 0 | 112.6 | L1223 L1230 L1234 V1257 N1259 I1260 A1266 L1272 L1298 L1309 | L1223-F1232 HydrophobicContact CD1-CD1 4.22Å; L1223-F1232 HydrophobicContact CD1-CE1 3.92Å; L1230-F1232 HydrophobicContact CB-CD1 3.97Å; L1230-F1232 HydrophobicContact CB-CE1 3.62Å; L1230-F1232 HydrophobicContact CB-CZ 4.42Å; L1230-F1232 HydrophobicContact CD1-CE1 4.13Å; L1230-F1232 HydrophobicContact CD1-CZ 4.29Å; L1230-F1232 HydrophobicContact CG-CE1 4.42Å; F1232-L1234 HydrophobicContact CD2-CD2 3.8Å; F1232-L1234 HydrophobicContact CD2-CG 4.15Å; F1232-L1234 HydrophobicContact CE2-CD1 4.28Å; F1232-L1234 HydrophobicContact CE2-CD2 3.74Å; F1232-L1234 HydrophobicContact CE2-CG 4.03Å; F1232-V1257 HydrophobicContact CB-CG1 4.34Å; F1232-N1259 CarbonylContact C-O 3.52Å; F1232-N1259 WeakPolarHBondContact CA-O 3.25Å; F1232-I1260 HydrophobicContact CB-CD1 4.24Å; F1232-A1266 HydrophobicContact CB-CB 4.45Å; F1232-A1266 HydrophobicContact CD1-CB 4.02Å; F1232-L1272 HydrophobicContact CB-CD2 4.09Å; F1232-L1272 HydrophobicContact CD1-CD2 3.51Å; F1232-L1272 HydrophobicContact CD2-CD2 4.46Å; F1232-L1272 HydrophobicContact CE1-CD2 3.94Å; F1232-L1272 HydrophobicContact CG-CD2 3.79Å; F1232-L1298 HydrophobicContact CE2-CD1 3.99Å; F1232-L1298 HydrophobicContact CZ-CD1 3.88Å; F1232-L1309 HydrophobicContact CE1-CD1 3.81Å; F1232-L1309 HydrophobicContact CZ-CD1 3.86Å |
| 1233 | S | 93.9 | Very high | 81.8 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 22% | 0.217 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.9 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | K1258 N1259 | S1233-K1258 PolarHBondContact O-N 2.81Å; S1233-N1259 PolarHBondContact N-O 3.02Å; S1233-N1259 VanDerWaalsContact OG-CB 3.3Å; S1233-N1259 WeakPolarHBondContact OG-CB 3.41Å; S1233-N1259 PolarHBondContact OG-N 3.42Å; S1233-N1259 VanDerWaalsContact OG-N 3.11Å; S1233-N1259 PolarHBondContact OG-ND2 3.05Å; S1233-N1259 PolarHBondContact OG-O 3.37Å; S1233-N1259 VanDerWaalsContact OG-O 3.07Å |
| 1234 | L | 94.9 | Very high | 79.1 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 157.1 | -173.6 | -64 | 179.6 | 0 | 0 | 0 | 112.3 | F1232 V1255 Y1256 V1257 L1278 Q1291 I1294 V1295 L1298 | F1232-L1234 HydrophobicContact CD2-CD2 3.8Å; F1232-L1234 HydrophobicContact CD2-CG 4.15Å; F1232-L1234 HydrophobicContact CE2-CD1 4.28Å; F1232-L1234 HydrophobicContact CE2-CD2 3.74Å; F1232-L1234 HydrophobicContact CE2-CG 4.03Å; L1234-V1255 HydrophobicContact CB-CG1 3.87Å; L1234-V1255 HydrophobicContact CD1-CG1 3.91Å; L1234-V1255 HydrophobicContact CD2-CG1 4.21Å; L1234-V1255 HydrophobicContact CG-CG1 4.21Å; L1234-Y1256 CarbonylContact C-O 3.27Å; L1234-Y1256 VanDerWaalsContact CA-O 3.31Å; L1234-Y1256 WeakPolarHBondContact CA-O 3.27Å; L1234-V1257 HydrophobicContact CD2-CG2 4.26Å; L1234-L1278 HydrophobicContact CD1-CD1 3.74Å; L1234-L1278 HydrophobicContact CD2-CD1 3.6Å; L1234-L1278 HydrophobicContact CG-CD1 4.34Å; L1234-Q1291 HydrophobicContact CB-CG 4.41Å; L1234-Q1291 PolarHBondContact O-NE2 2.9Å; L1234-I1294 HydrophobicContact CD1-CG2 3.71Å; L1234-V1295 HydrophobicContact CD1-CG2 4.21Å; L1234-L1298 HydrophobicContact CD1-CD1 4.2Å |
| 1235 | T | 92.4 | Very high | 76.6 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 22% | 0.221 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.7 | 168 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | V1255 Y1256 K1258 | T1235-V1255 WeakPolarHBondContact O-CA 3.4Å; T1235-Y1256 PolarHBondContact N-O 3.23Å; T1235-Y1256 PolarHBondContact O-N 3.39Å; T1235-K1258 HydrophobicContact CG2-CB 3.97Å; T1235-K1258 HydrophobicContact CG2-CG 4.11Å |
| 1236 | T | 91.1 | Very high | 74.1 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 26% | 0.264 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 143 | 161 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | F1253 A1254 Q1291 | T1236-F1253 HydrophobicContact CG2-CB 3.84Å; T1236-F1253 HydrophobicContact CG2-CD1 3.43Å; T1236-F1253 VanDerWaalsContact CG2-CD1 3.43Å; T1236-F1253 HydrophobicContact CG2-CE1 4.33Å; T1236-F1253 HydrophobicContact CG2-CG 3.98Å; T1236-A1254 CarbonylContact C-O 3.18Å; T1236-A1254 WeakPolarHBondContact CA-O 3.44Å; T1236-Q1291 WeakPolarHBondContact OG1-CB 3.27Å |
| 1237 | K | 85.7 | Confident | 71.4 | Confident | 107 Ų | 107 | 75.5 Ų | 75.5 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.9 | 154.4 | -57.7 | -179.1 | -178.3 | 177.3 | 0 | 107.7 | A1254 Y1256 | K1237-A1254 PolarHBondContact N-O 2.83Å; K1237-A1254 PolarHBondContact O-N 2.84Å; K1237-A1254 VanDerWaalsContact O-O 3.13Å; K1237-Y1256 HydrophobicContact CB-CD2 4.03Å; K1237-Y1256 HydrophobicContact CB-CE2 3.8Å; K1237-Y1256 HydrophobicContact CD-CD2 3.85Å; K1237-Y1256 HydrophobicContact CD-CE2 3.82Å; K1237-Y1256 HydrophobicContact CD-CG 4.41Å; K1237-Y1256 HydrophobicContact CG-CD2 3.79Å; K1237-Y1256 HydrophobicContact CG-CE2 3.96Å |
| 1238 | L | 75.9 | Confident | 69.2 | Low | 111 Ų | 111 | 74.3 Ų | 74.3 | 58% | 0.581 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136.8 | 165.9 | -77.4 | 158.9 | 0 | 0 | 0 | 108.6 | P1240 F1253 | L1238-P1240 WeakPolarHBondContact O-CD 3.42Å; L1238-F1253 HydrophobicContact CD2-CD1 3.79Å; L1238-F1253 HydrophobicContact CD2-CE1 3.46Å; L1238-F1253 VanDerWaalsContact CD2-CE1 3.46Å; L1238-F1253 HydrophobicContact CD2-CZ 4.29Å; L1238-F1253 HydrophobicContact CG-CD1 4.31Å; L1238-F1253 HydrophobicContact CG-CE1 4.12Å |
| 1239 | I | 68.9 | Low | 67 | Low | 51 Ų | 51 | 75.2 Ų | 75.2 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 120 | 166.2 | -48.2 | 172 | 0 | 0 | 0 | 107.4 | L1252 A1254 | I1239-L1252 HydrophobicContact CD1-CB 4.1Å; I1239-L1252 WeakPolarHBondContact CG1-O 3.26Å; I1239-L1252 PolarHBondContact N-O 2.96Å; I1239-L1252 VanDerWaalsContact N-O 3.12Å; I1239-A1254 HydrophobicContact CD1-CB 3.84Å; I1239-A1254 HydrophobicContact CG1-CB 3.69Å |
| 1240 | P | 50.6 | Low | 64.9 | Low | 96 Ų | 96 | 81 Ų | 81 | 62% | 0.623 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 145.1 | 168.6 | -23.5 | 35.2 | 0 | 0 | 0 | 110.8 | L1238 S1242 | L1238-P1240 WeakPolarHBondContact O-CD 3.42Å; P1240-S1242 PolarHBondContact O-N 2.76Å |
| 1241 | K | 45.6 | Very low | 63 | Low | 150 Ų | 150 | 83.9 Ų | 83.9 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 46.8 | -160.8 | -154.7 | -178.5 | -176.7 | -174.4 | 0 | 114.6 | N1249 | K1241-N1249 PolarHBondContact NZ-OD1 3.33Š|
| 1242 | S | 42.2 | Very low | 61.6 | Low | 95 Ų | 95 | 86.8 Ų | 86.8 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -6.3 | -171.9 | 57.8 | 0 | 0 | 0 | 0 | 115.9 | P1240 | P1240-S1242 PolarHBondContact O-N 2.76Š|
| 1243 | I | 47.8 | Very low | 60.9 | Low | 151 Ų | 151 | 89.6 Ų | 89.6 | 77% | 0.774 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -134.3 | 46.7 | -177.2 | -36.2 | -179.1 | 0 | 0 | 0 | 112.4 | | |
| 1244 | S | 40.8 | Very low | 60.6 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | | | trans | -159.6 | 100.7 | 166.9 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | T1246 | S1244-T1246 PolarHBondContact O-N 3.25Š|
| 1245 | N | 41.6 | Very low | 60.5 | Low | 170 Ų | 170 | 87.6 Ų | 87.6 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | | | trans | -77.9 | 70.4 | 173.2 | -70.9 | 0.9 | 0 | 0 | 0 | 110.1 | | |
| 1246 | T | 40.3 | Very low | 60.6 | Low | 106 Ų | 106 | 88 Ų | 88 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | | | trans | -148.7 | 131.6 | 177.8 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | S1244 I1248 | S1244-T1246 PolarHBondContact O-N 3.25Å; T1246-I1248 HydrophobicContact CG2-CD1 4.43Å; T1246-I1248 PolarHBondContact O-N 3.06Å; T1246-I1248 VanDerWaalsContact O-N 3.17Å |
| 1247 | T | 35.8 | Very low | 60.8 | Low | 110 Ų | 110 | 86 Ų | 86 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | | | trans | -85.3 | 79.9 | -166.7 | 26.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1248 | I | 43.6 | Very low | 61.1 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 46% | 0.462 | 45% | 0.454 | S | S | . | . | | | trans | -139 | 132 | 153.3 | -52.9 | 84.9 | 0 | 0 | 0 | 109 | T1246 E1250 | T1246-I1248 HydrophobicContact CG2-CD1 4.43Å; T1246-I1248 PolarHBondContact O-N 3.06Å; T1246-I1248 VanDerWaalsContact O-N 3.17Å; I1248-E1250 HydrophobicContact CG2-CB 4.38Å; I1248-E1250 HydrophobicContact CG2-CG 4.07Å; I1248-E1250 PolarHBondContact O-N 2.73Å |
| 1249 | N | 39.8 | Very low | 61.9 | Low | 90 Ų | 90 | 80 Ų | 80 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | | | trans | -79.6 | 48 | 175.1 | -73.9 | -36.8 | 0 | 0 | 0 | 114.2 | D619 K1241 | D619-N1249 VanDerWaalsContact OD1-CB 3.27Å; D619-N1249 WeakPolarHBondContact OD1-CB 3.41Å; D619-N1249 PolarHBondContact OD1-N 3.08Å; D619-N1249 PolarHBondContact OD1-ND2 3.46Å; D619-N1249 PolarHBondContact OD2-ND2 3.04Å; K1241-N1249 PolarHBondContact NZ-OD1 3.33Å |
| 1250 | E | 48.4 | Very low | 63 | Low | 142 Ų | 142 | 77.9 Ų | 77.9 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -105.3 | 137.8 | 167.4 | -72 | -167.9 | 150.7 | 0 | 0 | 111.3 | I1248 L1252 | I1248-E1250 HydrophobicContact CG2-CB 4.38Å; I1248-E1250 HydrophobicContact CG2-CG 4.07Å; I1248-E1250 PolarHBondContact O-N 2.73Å; E1250-L1252 PolarHBondContact O-N 2.8Å |
| 1251 | S | 54.1 | Low | 65 | Low | 77 Ų | 77 | 76.7 Ų | 76.7 | 54% | 0.538 | 41% | 0.412 | S | S | . | . | | | trans | -71.2 | 98.7 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | F1253 | S1251-F1253 VanDerWaalsContact O-CD2 3.29Å; S1251-F1253 WeakPolarHBondContact O-CD2 3.35Å; S1251-F1253 WeakPolarHBondContact O-CE2 3.32Å; S1251-F1253 PolarHBondContact O-N 3.1Å |
| 1252 | L | 65.9 | Low | 66.7 | Low | 67 Ų | 67 | 70.3 Ų | 70.3 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | | | trans | -58.8 | 106.6 | -178.8 | -75.3 | 171.7 | 0 | 0 | 0 | 111.2 | I1239 E1250 | I1239-L1252 HydrophobicContact CD1-CB 4.1Å; I1239-L1252 WeakPolarHBondContact CG1-O 3.26Å; I1239-L1252 PolarHBondContact N-O 2.96Å; I1239-L1252 VanDerWaalsContact N-O 3.12Å; E1250-L1252 PolarHBondContact O-N 2.8Å |
| 1253 | F | 79.6 | Confident | 68.7 | Low | 87 Ų | 87 | 69.1 Ų | 69.1 | 38% | 0.382 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.2 | 173.1 | -62.1 | -67.5 | 0 | 0 | 0 | 109.5 | T1236 L1238 S1251 | T1236-F1253 HydrophobicContact CG2-CB 3.84Å; T1236-F1253 HydrophobicContact CG2-CD1 3.43Å; T1236-F1253 VanDerWaalsContact CG2-CD1 3.43Å; T1236-F1253 HydrophobicContact CG2-CE1 4.33Å; T1236-F1253 HydrophobicContact CG2-CG 3.98Å; L1238-F1253 HydrophobicContact CD2-CD1 3.79Å; L1238-F1253 HydrophobicContact CD2-CE1 3.46Å; L1238-F1253 VanDerWaalsContact CD2-CE1 3.46Å; L1238-F1253 HydrophobicContact CD2-CZ 4.29Å; L1238-F1253 HydrophobicContact CG-CD1 4.31Å; L1238-F1253 HydrophobicContact CG-CE1 4.12Å; S1251-F1253 VanDerWaalsContact O-CD2 3.29Å; S1251-F1253 WeakPolarHBondContact O-CD2 3.35Å; S1251-F1253 WeakPolarHBondContact O-CE2 3.32Å; S1251-F1253 PolarHBondContact O-N 3.1Å |
| 1254 | A | 87.4 | Confident | 70.7 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1236 K1237 I1239 Y1256 R1277 | T1236-A1254 CarbonylContact C-O 3.18Å; T1236-A1254 WeakPolarHBondContact CA-O 3.44Å; K1237-A1254 PolarHBondContact N-O 2.83Å; K1237-A1254 PolarHBondContact O-N 2.84Å; K1237-A1254 VanDerWaalsContact O-O 3.13Å; I1239-A1254 HydrophobicContact CD1-CB 3.84Å; I1239-A1254 HydrophobicContact CG1-CB 3.69Å; A1254-Y1256 HydrophobicContact CB-CD2 4.21Å; A1254-Y1256 HydrophobicContact CB-CE2 3.41Å; A1254-Y1256 VanDerWaalsContact CB-CE2 3.41Å; A1254-R1277 HydrophobicContact CB-CG 4.4Å |
| 1255 | V | 92.9 | Very high | 73.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.7 | 177.9 | -180 | 0 | 0 | 0 | 0 | 109.6 | L1234 T1235 L1278 Q1291 I1294 | L1234-V1255 HydrophobicContact CB-CG1 3.87Å; L1234-V1255 HydrophobicContact CD1-CG1 3.91Å; L1234-V1255 HydrophobicContact CD2-CG1 4.21Å; L1234-V1255 HydrophobicContact CG-CG1 4.21Å; T1235-V1255 WeakPolarHBondContact O-CA 3.4Å; V1255-L1278 HydrophobicContact CG1-CD1 4.42Å; V1255-L1278 PolarHBondContact O-N 3.07Å; V1255-Q1291 HydrophobicContact CG2-CB 4.25Å; V1255-I1294 HydrophobicContact CB-CD1 3.95Å; V1255-I1294 HydrophobicContact CG1-CD1 4.38Å; V1255-I1294 HydrophobicContact CG2-CD1 3.62Å |
| 1256 | Y | 94.7 | Very high | 75.7 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152.4 | -173.9 | -66.1 | -98 | 0 | 0 | 0 | 110.8 | L1234 T1235 K1237 A1254 K1258 G1275 D1276 R1277 | L1234-Y1256 CarbonylContact C-O 3.27Å; L1234-Y1256 VanDerWaalsContact CA-O 3.31Å; L1234-Y1256 WeakPolarHBondContact CA-O 3.27Å; T1235-Y1256 PolarHBondContact N-O 3.23Å; T1235-Y1256 PolarHBondContact O-N 3.39Å; K1237-Y1256 HydrophobicContact CB-CD2 4.03Å; K1237-Y1256 HydrophobicContact CB-CE2 3.8Å; K1237-Y1256 HydrophobicContact CD-CD2 3.85Å; K1237-Y1256 HydrophobicContact CD-CE2 3.82Å; K1237-Y1256 HydrophobicContact CD-CG 4.41Å; K1237-Y1256 HydrophobicContact CG-CD2 3.79Å; K1237-Y1256 HydrophobicContact CG-CE2 3.96Å; A1254-Y1256 HydrophobicContact CB-CD2 4.21Å; A1254-Y1256 HydrophobicContact CB-CE2 3.41Å; A1254-Y1256 VanDerWaalsContact CB-CE2 3.41Å; Y1256-K1258 PolarHBondContact O-N 3.16Å; Y1256-G1275 WeakPolarHBondContact CD1-O 3.32Å; Y1256-D1276 CarbonylContact C-O 3.16Å; Y1256-D1276 VanDerWaalsContact CA-O 3.3Å; Y1256-D1276 WeakPolarHBondContact CA-O 3.44Å; Y1256-R1277 HydrophobicContact CD1-CB 3.83Å; Y1256-R1277 HydrophobicContact CD1-CG 4.48Å; Y1256-R1277 HydrophobicContact CE1-CB 3.66Å; Y1256-R1277 HydrophobicContact CE1-CG 4.15Å |
| 1257 | V | 95.1 | Very high | 78.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 114.8 | 167.9 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | F1232 L1234 I1260 L1272 R1273 G1275 D1276 | F1232-V1257 HydrophobicContact CB-CG1 4.34Å; L1234-V1257 HydrophobicContact CD2-CG2 4.26Å; V1257-I1260 HydrophobicContact CG1-CD1 3.77Å; V1257-L1272 HydrophobicContact CG2-CD1 4.07Å; V1257-L1272 HydrophobicContact CG2-CD2 4.13Å; V1257-L1272 HydrophobicContact CG2-CG 4.16Å; V1257-R1273 VanDerWaalsContact CB-O 3.32Å; V1257-R1273 WeakPolarHBondContact CB-O 3.36Å; V1257-R1273 WeakPolarHBondContact CG1-O 3.46Å; V1257-G1275 PolarHBondContact O-N 3.31Å; V1257-D1276 HydrophobicContact CB-CB 4.42Å; V1257-D1276 HydrophobicContact CG2-CB 4.06Å; V1257-D1276 PolarHBondContact N-O 2.8Å |
| 1258 | K | 93 | Very high | 80.7 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -41.7 | -177.6 | -165.3 | -172.6 | -171.7 | 176.5 | 0 | 112.5 | D125 G126 S1233 T1235 Y1256 V1274 | D125-K1258 PolarHBondContact O-NZ 2.82Å; G126-K1258 PolarHBondContact O-NZ 2.8Å; S1233-K1258 PolarHBondContact O-N 2.81Å; T1235-K1258 HydrophobicContact CG2-CB 3.97Å; T1235-K1258 HydrophobicContact CG2-CG 4.11Å; Y1256-K1258 PolarHBondContact O-N 3.16Å; K1258-V1274 WeakPolarHBondContact O-CG1 3.5Å |
| 1259 | N | 91.3 | Very high | 83 | Confident | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.8 | 173.6 | -44.7 | -100.6 | 0 | 0 | 0 | 108.2 | F1232 S1233 | F1232-N1259 CarbonylContact C-O 3.52Å; F1232-N1259 WeakPolarHBondContact CA-O 3.25Å; S1233-N1259 PolarHBondContact N-O 3.02Å; S1233-N1259 VanDerWaalsContact OG-CB 3.3Å; S1233-N1259 WeakPolarHBondContact OG-CB 3.41Å; S1233-N1259 PolarHBondContact OG-N 3.42Å; S1233-N1259 VanDerWaalsContact OG-N 3.11Å; S1233-N1259 PolarHBondContact OG-ND2 3.05Å; S1233-N1259 PolarHBondContact OG-O 3.37Å; S1233-N1259 VanDerWaalsContact OG-O 3.07Å |
| 1260 | I | 93.7 | Very high | 85.5 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 138.6 | 155.4 | -55.5 | -57.8 | 0 | 0 | 0 | 107.4 | F1232 V1257 A1266 I1267 L1272 V1274 I1530 | F1232-I1260 HydrophobicContact CB-CD1 4.24Å; V1257-I1260 HydrophobicContact CG1-CD1 3.77Å; I1260-A1266 HydrophobicContact CD1-CB 4.23Å; I1260-A1266 HydrophobicContact CG2-CB 4.28Å; I1260-I1267 HydrophobicContact CG2-CB 3.76Å; I1260-I1267 HydrophobicContact CG2-CD1 4.48Å; I1260-I1267 HydrophobicContact CG2-CG1 4.09Å; I1260-L1272 HydrophobicContact CD1-CB 4.11Å; I1260-L1272 HydrophobicContact CD1-CD2 3.87Å; I1260-L1272 HydrophobicContact CD1-CG 3.9Å; I1260-L1272 WeakPolarHBondContact CD1-O 3.31Å; I1260-V1274 HydrophobicContact CG1-CG2 4.39Å; I1260-I1530 HydrophobicContact CB-CG2 4.44Å |
| 1261 | L | 90.8 | Very high | 87.6 | Confident | 71 Ų | 71 | 44 Ų | 44 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -101 | 118.6 | 175.2 | -60.6 | 176.1 | 0 | 0 | 0 | 108.1 | G1231 | G1231-L1261 PolarHBondContact O-N 2.89Š|
| 1262 | P | 81.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 165.2 | 176.1 | 21.5 | -32.6 | 0 | 0 | 0 | 113 | G1264 I1267 | P1262-G1264 PolarHBondContact O-N 3.15Å; P1262-I1267 HydrophobicContact CB-CD1 3.85Å |
| 1263 | D | 85.2 | Confident | 90.8 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -23.3 | -173.4 | -35.8 | -43.1 | 0 | 0 | 0 | 115.5 | K1268 R1465 | D1263-K1268 WeakPolarHBondContact O-CE 3.46Å; D1263-K1268 PolarHBondContact O-NZ 3.49Å; D1263-K1268 VanDerWaalsContact O-NZ 3.09Å; D1263-R1465 IonicContact OD1-CZ 3.54Å; D1263-R1465 IonicContact OD1-NH2 3.22Å; D1263-R1465 PolarHBondContact OD1-NH2 3.04Å; D1263-R1465 IonicContact OD2-CZ 2.73Å; D1263-R1465 VanDerWaalsContact OD2-CZ 3.25Å; D1263-R1465 IonicContact OD2-NH1 3.44Å; D1263-R1465 PolarHBondContact OD2-NH1 3.05Å; D1263-R1465 IonicContact OD2-NH2 3.31Å; D1263-R1465 PolarHBondContact OD2-NH2 3.34Å |
| 1264 | G | 88.4 | Confident | 91.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -86.6 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1262 A1266 I1267 K1268 | P1262-G1264 PolarHBondContact O-N 3.15Å; G1264-A1266 PolarHBondContact O-N 2.92Å; G1264-I1267 WeakPolarHBondContact O-CG2 3.45Å; G1264-I1267 PolarHBondContact O-N 3.19Å; G1264-K1268 PolarHBondContact O-N 3.31Å |
| 1265 | S | 92.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -39.6 | -168.9 | -52.7 | 0 | 0 | 0 | 0 | 115.4 | R1224 S1226 G1229 L1230 I1267 K1268 D1269 | R1224-S1265 VanDerWaalsContact O-CB 3.24Å; R1224-S1265 WeakPolarHBondContact O-CB 3.37Å; R1224-S1265 PolarHBondContact O-OG 3.05Å; S1226-S1265 WeakPolarHBondContact CB-OG 3.21Å; S1226-S1265 PolarHBondContact N-OG 2.86Å; S1226-S1265 VanDerWaalsContact N-OG 3.11Å; S1226-S1265 PolarHBondContact OG-OG 3.37Å; G1229-S1265 PolarHBondContact O-OG 2.88Å; L1230-S1265 PolarHBondContact O-N 3.25Å; S1265-I1267 PolarHBondContact O-N 3.24Å; S1265-K1268 PolarHBondContact O-N 3.35Å; S1265-D1269 WeakPolarHBondContact O-CB 3.28Å; S1265-D1269 PolarHBondContact O-N 3.03Å |
| 1266 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -32.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1223 L1230 F1232 I1260 G1264 G1270 L1272 | L1223-A1266 HydrophobicContact CD1-CB 3.81Å; L1230-A1266 WeakPolarHBondContact O-CB 3.48Å; L1230-A1266 PolarHBondContact O-N 3.32Å; F1232-A1266 HydrophobicContact CB-CB 4.45Å; F1232-A1266 HydrophobicContact CD1-CB 4.02Å; I1260-A1266 HydrophobicContact CD1-CB 4.23Å; I1260-A1266 HydrophobicContact CG2-CB 4.28Å; G1264-A1266 PolarHBondContact O-N 2.92Å; A1266-G1270 PolarHBondContact O-N 3.39Å; A1266-L1272 HydrophobicContact CB-CB 4.28Å; A1266-L1272 HydrophobicContact CB-CD2 3.85Å |
| 1267 | I | 90.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.7 | -33.3 | 173.3 | -150.1 | 167.9 | 0 | 0 | 0 | 111.4 | I1260 P1262 G1264 S1265 D1269 G1270 I1530 | I1260-I1267 HydrophobicContact CG2-CB 3.76Å; I1260-I1267 HydrophobicContact CG2-CD1 4.48Å; I1260-I1267 HydrophobicContact CG2-CG1 4.09Å; P1262-I1267 HydrophobicContact CB-CD1 3.85Å; G1264-I1267 WeakPolarHBondContact O-CG2 3.45Å; G1264-I1267 PolarHBondContact O-N 3.19Å; S1265-I1267 PolarHBondContact O-N 3.24Å; I1267-D1269 VanDerWaalsContact C-N 3.3Å; I1267-D1269 PolarHBondContact O-N 3.18Å; I1267-G1270 PolarHBondContact O-N 2.99Å; I1267-I1530 HydrophobicContact CD1-CG2 4.37Å |
| 1268 | K | 90.2 | Very high | 91.7 | Very high | 130 Ų | 130 | 42.9 Ų | 42.9 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -76.2 | -16.7 | -179.5 | -72.5 | 176.3 | 168.8 | 169.2 | 0 | 113.3 | D1263 G1264 S1265 D1505 | D1263-K1268 WeakPolarHBondContact O-CE 3.46Å; D1263-K1268 PolarHBondContact O-NZ 3.49Å; D1263-K1268 VanDerWaalsContact O-NZ 3.09Å; G1264-K1268 PolarHBondContact O-N 3.31Å; S1265-K1268 PolarHBondContact O-N 3.35Å; K1268-D1505 IonicContact NZ-OD2 3.11Å; K1268-D1505 PolarHBondContact NZ-OD2 3.42Å |
| 1269 | D | 92.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -95.3 | -33.9 | 168.8 | 168.7 | 85.1 | 0 | 0 | 0 | 112.5 | L1223 S1265 I1267 Q1271 | L1223-D1269 HydrophobicContact CD2-CB 3.45Å; L1223-D1269 VanDerWaalsContact CD2-CB 3.45Å; L1223-D1269 WeakPolarHBondContact CD2-OD2 3.3Å; S1265-D1269 WeakPolarHBondContact O-CB 3.28Å; S1265-D1269 PolarHBondContact O-N 3.03Å; I1267-D1269 VanDerWaalsContact C-N 3.3Å; I1267-D1269 PolarHBondContact O-N 3.18Å; D1269-Q1271 PolarHBondContact O-N 2.85Å; D1269-Q1271 PolarHBondContact OD1-NE2 2.82Å; D1269-Q1271 WeakPolarHBondContact OD2-CB 3.48Å; D1269-Q1271 VanDerWaalsContact OD2-CG 3.3Å; D1269-Q1271 WeakPolarHBondContact OD2-CG 3.34Å; D1269-Q1271 PolarHBondContact OD2-N 2.91Å; D1269-Q1271 VanDerWaalsContact OD2-N 3.11Å; D1269-Q1271 PolarHBondContact OD2-NE2 3.47Å |
| 1270 | G | 92.1 | Very high | 92 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | | | trans | 72.3 | -9.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1266 I1267 | A1266-G1270 PolarHBondContact O-N 3.39Å; I1267-G1270 PolarHBondContact O-N 2.99Å |
| 1271 | Q | 93.6 | Very high | 92.1 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | | | trans | -77.7 | -31.9 | -177 | -54.3 | -178.6 | 76.8 | 0 | 0 | 112.4 | I1221 D1269 R1313 | I1221-Q1271 HydrophobicContact CD1-CB 4.23Å; I1221-Q1271 HydrophobicContact CG1-CB 4.21Å; I1221-Q1271 HydrophobicContact CG2-CB 4.11Å; D1269-Q1271 PolarHBondContact O-N 2.85Å; D1269-Q1271 PolarHBondContact OD1-NE2 2.82Å; D1269-Q1271 WeakPolarHBondContact OD2-CB 3.48Å; D1269-Q1271 VanDerWaalsContact OD2-CG 3.3Å; D1269-Q1271 WeakPolarHBondContact OD2-CG 3.34Å; D1269-Q1271 PolarHBondContact OD2-N 2.91Å; D1269-Q1271 VanDerWaalsContact OD2-N 3.11Å; D1269-Q1271 PolarHBondContact OD2-NE2 3.47Å; Q1271-R1313 PolarHBondContact O-NH2 2.81Å |
| 1272 | L | 95.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | | | trans | -78.4 | 131.5 | 178.9 | -167.6 | 73.3 | 0 | 0 | 0 | 110.7 | I1221 L1223 F1232 V1257 I1260 A1266 D1276 L1309 V1311 | I1221-L1272 HydrophobicContact CD1-CB 4.14Å; I1221-L1272 HydrophobicContact CD1-CD1 3.77Å; I1221-L1272 HydrophobicContact CG2-CB 4.45Å; L1223-L1272 HydrophobicContact CD1-CD2 4.24Å; F1232-L1272 HydrophobicContact CB-CD2 4.09Å; F1232-L1272 HydrophobicContact CD1-CD2 3.51Å; F1232-L1272 HydrophobicContact CD2-CD2 4.46Å; F1232-L1272 HydrophobicContact CE1-CD2 3.94Å; F1232-L1272 HydrophobicContact CG-CD2 3.79Å; V1257-L1272 HydrophobicContact CG2-CD1 4.07Å; V1257-L1272 HydrophobicContact CG2-CD2 4.13Å; V1257-L1272 HydrophobicContact CG2-CG 4.16Å; I1260-L1272 HydrophobicContact CD1-CB 4.11Å; I1260-L1272 HydrophobicContact CD1-CD2 3.87Å; I1260-L1272 HydrophobicContact CD1-CG 3.9Å; I1260-L1272 WeakPolarHBondContact CD1-O 3.31Å; A1266-L1272 HydrophobicContact CB-CB 4.28Å; A1266-L1272 HydrophobicContact CB-CD2 3.85Å; L1272-D1276 HydrophobicContact CD1-CB 4.39Å; L1272-L1309 HydrophobicContact CD2-CD1 4.48Å; L1272-V1311 HydrophobicContact CD1-CG1 3.88Å |
| 1273 | R | 91.6 | Very high | 92.7 | Very high | 152 Ų | 152 | 45.7 Ų | 45.7 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | | | trans | -120.1 | 159 | -177.7 | -65.1 | -173.5 | -178.6 | -178.2 | -2.9 | 111.8 | V1257 D1276 | V1257-R1273 VanDerWaalsContact CB-O 3.32Å; V1257-R1273 WeakPolarHBondContact CB-O 3.36Å; V1257-R1273 WeakPolarHBondContact CG1-O 3.46Å; R1273-D1276 PolarHBondContact N-OD2 2.96Å; R1273-D1276 WeakPolarHBondContact O-CB 3.32Å; R1273-D1276 PolarHBondContact O-N 2.84Å |
| 1274 | V | 92.2 | Very high | 93 | Very high | 32 Ų | 32 | 46 Ų | 46 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 145 | 160.8 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | K1258 I1260 D1276 I1530 | K1258-V1274 WeakPolarHBondContact O-CG1 3.5Å; I1260-V1274 HydrophobicContact CG1-CG2 4.39Å; V1274-D1276 VanDerWaalsContact C-N 3.28Å; V1274-D1276 PolarHBondContact O-N 2.8Å; V1274-I1530 HydrophobicContact CG2-CD1 3.74Å |
| 1275 | G | 91.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -13.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1256 V1257 R1277 | Y1256-G1275 WeakPolarHBondContact CD1-O 3.32Å; V1257-G1275 PolarHBondContact O-N 3.31Å; G1275-R1277 PolarHBondContact O-N 2.86Å |
| 1276 | D | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 127.5 | 173 | -76.9 | -17.8 | 0 | 0 | 0 | 111.1 | Y1256 V1257 L1272 R1273 V1274 V1311 R1313 | Y1256-D1276 CarbonylContact C-O 3.16Å; Y1256-D1276 VanDerWaalsContact CA-O 3.3Å; Y1256-D1276 WeakPolarHBondContact CA-O 3.44Å; V1257-D1276 HydrophobicContact CB-CB 4.42Å; V1257-D1276 HydrophobicContact CG2-CB 4.06Å; V1257-D1276 PolarHBondContact N-O 2.8Å; L1272-D1276 HydrophobicContact CD1-CB 4.39Å; R1273-D1276 PolarHBondContact N-OD2 2.96Å; R1273-D1276 WeakPolarHBondContact O-CB 3.32Å; R1273-D1276 PolarHBondContact O-N 2.84Å; V1274-D1276 VanDerWaalsContact C-N 3.28Å; V1274-D1276 PolarHBondContact O-N 2.8Å; D1276-V1311 HydrophobicContact CB-CB 4.06Å; D1276-V1311 HydrophobicContact CB-CG1 4.29Å; D1276-V1311 HydrophobicContact CB-CG2 4.27Å; D1276-R1313 VanDerWaalsContact CG-NH2 3.31Å; D1276-R1313 IonicContact OD1-CZ 2.86Å; D1276-R1313 IonicContact OD1-NE 3.01Å; D1276-R1313 PolarHBondContact OD1-NE 3.34Å; D1276-R1313 IonicContact OD1-NH2 2.78Å; D1276-R1313 PolarHBondContact OD1-NH2 3.35Å; D1276-R1313 VanDerWaalsContact OD1-NH2 3.11Å; D1276-R1313 IonicContact OD2-CZ 2.73Å; D1276-R1313 IonicContact OD2-NE 3.78Å; D1276-R1313 IonicContact OD2-NH2 2.74Å; D1276-R1313 PolarHBondContact OD2-NH2 3.47Å |
| 1277 | R | 94 | Very high | 92.9 | Very high | 37 Ų | 37 | 53 Ų | 53 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.8 | 173.7 | 179.4 | -179.8 | 169 | -179 | -1.3 | 109.9 | A1254 Y1256 G1275 I1279 V1311 R1312 | A1254-R1277 HydrophobicContact CB-CG 4.4Å; Y1256-R1277 HydrophobicContact CD1-CB 3.83Å; Y1256-R1277 HydrophobicContact CD1-CG 4.48Å; Y1256-R1277 HydrophobicContact CE1-CB 3.66Å; Y1256-R1277 HydrophobicContact CE1-CG 4.15Å; G1275-R1277 PolarHBondContact O-N 2.86Å; R1277-I1279 HydrophobicContact CG-CD1 4.06Å; R1277-V1311 CarbonylContact O-C 3.6Å; R1277-V1311 WeakPolarHBondContact O-CA 3.29Å; R1277-V1311 WeakPolarHBondContact O-CB 3.26Å; R1277-R1312 HydrophobicContact CB-CB 4.32Å; R1277-R1312 PolarHBondContact N-O 3.28Å; R1277-R1312 PolarHBondContact O-N 2.84Å |
| 1278 | L | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.6 | 171.3 | -79.7 | 167.3 | 0 | 0 | 0 | 110.9 | L1234 V1255 I1281 V1286 I1294 L1309 V1311 | L1234-L1278 HydrophobicContact CD1-CD1 3.74Å; L1234-L1278 HydrophobicContact CD2-CD1 3.6Å; L1234-L1278 HydrophobicContact CG-CD1 4.34Å; V1255-L1278 HydrophobicContact CG1-CD1 4.42Å; V1255-L1278 PolarHBondContact O-N 3.07Å; L1278-I1281 HydrophobicContact CD1-CD1 4.34Å; L1278-I1281 HydrophobicContact CD2-CD1 4.4Å; L1278-I1281 HydrophobicContact CD2-CG1 4.28Å; L1278-V1286 HydrophobicContact CB-CG2 4.02Å; L1278-I1294 HydrophobicContact CD1-CG2 4.09Å; L1278-L1309 HydrophobicContact CD2-CB 4.33Å; L1278-L1309 HydrophobicContact CD2-CD2 4.1Å; L1278-V1311 HydrophobicContact CD2-CG1 3.98Å |
| 1279 | I | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -46.3 | 175.8 | -55.2 | -60.1 | 0 | 0 | 0 | 110.4 | R1277 D1285 V1286 I1287 L1310 R1312 | R1277-I1279 HydrophobicContact CG-CD1 4.06Å; I1279-D1285 VanDerWaalsContact O-OD1 3.12Å; I1279-V1286 WeakPolarHBondContact O-CG2 3.18Å; I1279-V1286 PolarHBondContact O-N 2.97Å; I1279-I1287 HydrophobicContact CD1-CD1 4.39Å; I1279-I1287 HydrophobicContact CG2-CD1 4.22Å; I1279-L1310 HydrophobicContact CB-CB 4.45Å; I1279-L1310 HydrophobicContact CB-CD2 4.29Å; I1279-L1310 HydrophobicContact CB-CG 4.34Å; I1279-L1310 WeakPolarHBondContact CB-O 3.27Å; I1279-L1310 HydrophobicContact CG2-CD2 3.99Å; I1279-L1310 PolarHBondContact N-O 3.19Å; I1279-R1312 HydrophobicContact CD1-CB 3.93Å; I1279-R1312 HydrophobicContact CG1-CB 3.8Å |
| 1280 | Q | 95.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.6 | -175.2 | -149.4 | 178.7 | 17.6 | 0 | 0 | 111.4 | N1283 L1284 L1309 L1310 | Q1280-N1283 VanDerWaalsContact NE2-C 3.33Å; Q1280-N1283 PolarHBondContact NE2-O 3.39Å; Q1280-L1284 CarbonylContact C-O 3.56Å; Q1280-L1284 WeakPolarHBondContact CA-O 3.1Å; Q1280-L1284 WeakPolarHBondContact CG-O 3.37Å; Q1280-L1309 WeakPolarHBondContact O-CA 3.41Å; Q1280-L1310 HydrophobicContact CB-CB 3.5Å; Q1280-L1310 VanDerWaalsContact CB-CB 3.5Å; Q1280-L1310 HydrophobicContact CB-CD2 4.16Å; Q1280-L1310 HydrophobicContact CB-CG 4.47Å; Q1280-L1310 PolarHBondContact N-O 2.79Å; Q1280-L1310 VanDerWaalsContact N-O 3.11Å; Q1280-L1310 PolarHBondContact O-N 2.94Å |
| 1281 | I | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 113.9 | 178.3 | -57 | -178.3 | 0 | 0 | 0 | 108.8 | L1278 N1283 L1284 V1286 I1294 I1297 L1298 V1307 N1308 L1309 | L1278-I1281 HydrophobicContact CD1-CD1 4.34Å; L1278-I1281 HydrophobicContact CD2-CD1 4.4Å; L1278-I1281 HydrophobicContact CD2-CG1 4.28Å; I1281-N1283 VanDerWaalsContact C-N 3.3Å; I1281-N1283 PolarHBondContact O-N 3.29Å; I1281-L1284 PolarHBondContact N-O 3.09Å; I1281-L1284 VanDerWaalsContact O-CB 3.26Å; I1281-L1284 WeakPolarHBondContact O-CB 3.44Å; I1281-L1284 PolarHBondContact O-N 2.87Å; I1281-V1286 HydrophobicContact CB-CG1 4.29Å; I1281-V1286 HydrophobicContact CD1-CG1 3.85Å; I1281-V1286 HydrophobicContact CD1-CG2 4.29Å; I1281-V1286 HydrophobicContact CG1-CG1 3.9Å; I1281-V1286 HydrophobicContact CG1-CG2 4.13Å; I1281-I1294 HydrophobicContact CD1-CG2 3.78Å; I1281-I1297 HydrophobicContact CG2-CG2 4.12Å; I1281-L1298 HydrophobicContact CD1-CD1 4.04Å; I1281-L1298 HydrophobicContact CD1-CD2 3.99Å; I1281-L1298 HydrophobicContact CD1-CG 3.94Å; I1281-L1298 HydrophobicContact CG2-CD2 3.64Å; I1281-L1298 HydrophobicContact CG2-CG 4.42Å; I1281-V1307 HydrophobicContact CG2-CG1 4.16Å; I1281-N1308 CarbonylContact C-O 3.55Å; I1281-N1308 WeakPolarHBondContact CA-O 3.43Å; I1281-L1309 HydrophobicContact CB-CD2 4.39Å; I1281-L1309 HydrophobicContact CD1-CD2 4.46Å; I1281-L1309 HydrophobicContact CG1-CD2 3.94Å; I1281-L1309 HydrophobicContact CG2-CD2 4.06Å |
| 1282 | D | 94.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 52.8 | -175.6 | -66.6 | -40 | 0 | 0 | 0 | 112.6 | L1284 K1301 V1307 N1308 | D1282-L1284 PolarHBondContact O-N 3.48Å; D1282-L1284 VanDerWaalsContact O-N 3.09Å; D1282-K1301 VanDerWaalsContact CG-NZ 3.34Å; D1282-K1301 WeakPolarHBondContact OD2-CD 3.4Å; D1282-K1301 WeakPolarHBondContact OD2-CE 3.42Å; D1282-K1301 IonicContact OD2-NZ 3.99Å; D1282-K1301 PolarHBondContact OD2-NZ 2.89Å; D1282-V1307 WeakPolarHBondContact OD1-CA 3.45Å; D1282-N1308 PolarHBondContact N-O 3.42Å; D1282-N1308 PolarHBondContact OD1-N 3.1Å |
| 1283 | N | 91 | Very high | 92.3 | Very high | 126 Ų | 126 | 52.5 Ų | 52.5 | 67% | 0.674 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -2.5 | -175.8 | -55.8 | -8.7 | 0 | 0 | 0 | 115.9 | Q1280 I1281 | Q1280-N1283 VanDerWaalsContact NE2-C 3.33Å; Q1280-N1283 PolarHBondContact NE2-O 3.39Å; I1281-N1283 VanDerWaalsContact C-N 3.3Å; I1281-N1283 PolarHBondContact O-N 3.29Å |
| 1284 | L | 92.9 | Very high | 92.4 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 40% | 0.398 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.6 | 172.3 | -176.1 | 64 | 0 | 0 | 0 | 110.5 | Q1280 I1281 D1282 I1297 | Q1280-L1284 CarbonylContact C-O 3.56Å; Q1280-L1284 WeakPolarHBondContact CA-O 3.1Å; Q1280-L1284 WeakPolarHBondContact CG-O 3.37Å; I1281-L1284 PolarHBondContact N-O 3.09Å; I1281-L1284 VanDerWaalsContact O-CB 3.26Å; I1281-L1284 WeakPolarHBondContact O-CB 3.44Å; I1281-L1284 PolarHBondContact O-N 2.87Å; D1282-L1284 PolarHBondContact O-N 3.48Å; D1282-L1284 VanDerWaalsContact O-N 3.09Å; L1284-I1297 HydrophobicContact CD2-CD1 3.77Å; L1284-I1297 HydrophobicContact CD2-CG1 4.37Å |
| 1285 | D | 93 | Very high | 92.5 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 138.3 | 171.5 | -174.2 | -2.5 | 0 | 0 | 0 | 110.5 | I1279 I1287 K1289 | I1279-D1285 VanDerWaalsContact O-OD1 3.12Å; D1285-I1287 WeakPolarHBondContact OD1-CB 3.25Å; D1285-I1287 WeakPolarHBondContact OD1-CG1 3.39Å; D1285-I1287 PolarHBondContact OD1-N 2.89Å; D1285-K1289 PolarHBondContact O-NZ 2.82Å |
| 1286 | V | 92 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | | | trans | -121.4 | 5.5 | 178 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | L1278 I1279 I1281 G1288 K1289 I1294 | L1278-V1286 HydrophobicContact CB-CG2 4.02Å; I1279-V1286 WeakPolarHBondContact O-CG2 3.18Å; I1279-V1286 PolarHBondContact O-N 2.97Å; I1281-V1286 HydrophobicContact CB-CG1 4.29Å; I1281-V1286 HydrophobicContact CD1-CG1 3.85Å; I1281-V1286 HydrophobicContact CD1-CG2 4.29Å; I1281-V1286 HydrophobicContact CG1-CG1 3.9Å; I1281-V1286 HydrophobicContact CG1-CG2 4.13Å; V1286-G1288 PolarHBondContact O-N 3.14Å; V1286-K1289 HydrophobicContact CG1-CD 4.43Å; V1286-K1289 PolarHBondContact O-N 3.39Å; V1286-I1294 HydrophobicContact CB-CD1 3.91Å; V1286-I1294 HydrophobicContact CB-CG1 3.86Å; V1286-I1294 HydrophobicContact CG1-CG1 3.98Å; V1286-I1294 HydrophobicContact CG2-CD1 4.45Å |
| 1287 | I | 88.1 | Confident | 92.5 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.5 | 166.8 | -62.3 | 176 | 0 | 0 | 0 | 109.3 | I1279 D1285 K1289 | I1279-I1287 HydrophobicContact CD1-CD1 4.39Å; I1279-I1287 HydrophobicContact CG2-CD1 4.22Å; D1285-I1287 WeakPolarHBondContact OD1-CB 3.25Å; D1285-I1287 WeakPolarHBondContact OD1-CG1 3.39Å; D1285-I1287 PolarHBondContact OD1-N 2.89Å; I1287-K1289 PolarHBondContact O-N 2.82Å |
| 1288 | G | 84.6 | Confident | 92.6 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -13.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1286 | V1286-G1288 PolarHBondContact O-N 3.14Š|
| 1289 | K | 89.7 | Confident | 92.5 | Very high | 63 Ų | 63 | 55 Ų | 55 | 27% | 0.274 | 30% | 0.301 | S | S | . | . | | | trans | -75.9 | 138.4 | 175.3 | -70.6 | -179.9 | -178 | 143.5 | 0 | 110.7 | D1285 V1286 I1287 Q1293 I1294 | D1285-K1289 PolarHBondContact O-NZ 2.82Å; V1286-K1289 HydrophobicContact CG1-CD 4.43Å; V1286-K1289 PolarHBondContact O-N 3.39Å; I1287-K1289 PolarHBondContact O-N 2.82Å; K1289-Q1293 HydrophobicContact CB-CB 4.5Å; K1289-I1294 HydrophobicContact CB-CD1 4.09Å; K1289-I1294 HydrophobicContact CB-CG1 3.99Å; K1289-I1294 WeakPolarHBondContact O-CD1 3.19Å |
| 1290 | S | 90.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | | | trans | -62.6 | 149.9 | 174.6 | 65 | 0 | 0 | 0 | 0 | 111.4 | A1292 Q1293 I1294 | S1290-A1292 PolarHBondContact O-N 3.28Å; S1290-A1292 VanDerWaalsContact O-N 3.14Å; S1290-Q1293 PolarHBondContact O-N 3.41Å; S1290-Q1293 VanDerWaalsContact OG-CG 3.3Å; S1290-Q1293 WeakPolarHBondContact OG-CG 3.16Å; S1290-Q1293 PolarHBondContact OG-N 3.35Å; S1290-Q1293 PolarHBondContact OG-OE1 2.79Å; S1290-I1294 PolarHBondContact O-N 3.04Å; S1290-I1294 VanDerWaalsContact O-N 3.07Å |
| 1291 | Q | 92.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 61 Ų | 61 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.1 | -36 | 174.6 | 174.8 | 172.1 | -10.2 | 0 | 0 | 112.2 | L1234 T1236 V1255 I1294 V1295 | L1234-Q1291 HydrophobicContact CB-CG 4.41Å; L1234-Q1291 PolarHBondContact O-NE2 2.9Å; T1236-Q1291 WeakPolarHBondContact OG1-CB 3.27Å; V1255-Q1291 HydrophobicContact CG2-CB 4.25Å; Q1291-I1294 PolarHBondContact O-N 3.14Å; Q1291-V1295 HydrophobicContact CG-CG2 4.21Å; Q1291-V1295 WeakPolarHBondContact O-CB 3.34Å; Q1291-V1295 VanDerWaalsContact O-CG2 3.26Å; Q1291-V1295 WeakPolarHBondContact O-CG2 3.18Å; Q1291-V1295 PolarHBondContact O-N 2.76Å |
| 1292 | A | 91.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1290 A1296 | S1290-A1292 PolarHBondContact O-N 3.28Å; S1290-A1292 VanDerWaalsContact O-N 3.14Å; A1292-A1296 WeakPolarHBondContact O-CB 3.2Å; A1292-A1296 PolarHBondContact O-N 2.89Å |
| 1293 | Q | 93 | Very high | 92.1 | Very high | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.2 | -72 | 157.6 | -33.7 | 0 | 0 | 111.4 | K1289 S1290 A1296 I1297 | K1289-Q1293 HydrophobicContact CB-CB 4.5Å; S1290-Q1293 PolarHBondContact O-N 3.41Å; S1290-Q1293 VanDerWaalsContact OG-CG 3.3Å; S1290-Q1293 WeakPolarHBondContact OG-CG 3.16Å; S1290-Q1293 PolarHBondContact OG-N 3.35Å; S1290-Q1293 PolarHBondContact OG-OE1 2.79Å; Q1293-A1296 WeakPolarHBondContact O-CB 3.43Å; Q1293-A1296 PolarHBondContact O-N 2.68Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.25Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.32Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; Q1293-I1297 PolarHBondContact O-N 2.83Å |
| 1294 | I | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 178.3 | -70.9 | 163.3 | 0 | 0 | 0 | 111.3 | L1234 V1255 L1278 I1281 V1286 K1289 S1290 Q1291 A1296 I1297 L1298 | L1234-I1294 HydrophobicContact CD1-CG2 3.71Å; V1255-I1294 HydrophobicContact CB-CD1 3.95Å; V1255-I1294 HydrophobicContact CG1-CD1 4.38Å; V1255-I1294 HydrophobicContact CG2-CD1 3.62Å; L1278-I1294 HydrophobicContact CD1-CG2 4.09Å; I1281-I1294 HydrophobicContact CD1-CG2 3.78Å; V1286-I1294 HydrophobicContact CB-CD1 3.91Å; V1286-I1294 HydrophobicContact CB-CG1 3.86Å; V1286-I1294 HydrophobicContact CG1-CG1 3.98Å; V1286-I1294 HydrophobicContact CG2-CD1 4.45Å; K1289-I1294 HydrophobicContact CB-CD1 4.09Å; K1289-I1294 HydrophobicContact CB-CG1 3.99Å; K1289-I1294 WeakPolarHBondContact O-CD1 3.19Å; S1290-I1294 PolarHBondContact O-N 3.04Å; S1290-I1294 VanDerWaalsContact O-N 3.07Å; Q1291-I1294 PolarHBondContact O-N 3.14Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 2.84Å; I1294-I1297 PolarHBondContact O-N 2.85Å; I1294-L1298 HydrophobicContact CG2-CD1 4.22Å; I1294-L1298 WeakPolarHBondContact O-CG 3.44Å; I1294-L1298 PolarHBondContact O-N 2.85Å; I1294-L1298 VanDerWaalsContact O-N 3.08Å |
| 1295 | V | 94.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L1234 Q1291 L1298 R1299 | L1234-V1295 HydrophobicContact CD1-CG2 4.21Å; Q1291-V1295 HydrophobicContact CG-CG2 4.21Å; Q1291-V1295 WeakPolarHBondContact O-CB 3.34Å; Q1291-V1295 VanDerWaalsContact O-CG2 3.26Å; Q1291-V1295 WeakPolarHBondContact O-CG2 3.18Å; Q1291-V1295 PolarHBondContact O-N 2.76Å; V1295-L1298 PolarHBondContact O-N 3.48Å; V1295-R1299 HydrophobicContact CG1-CG 4.1Å; V1295-R1299 VanDerWaalsContact O-CB 3.27Å; V1295-R1299 WeakPolarHBondContact O-CB 3.09Å; V1295-R1299 VanDerWaalsContact O-CG 3.29Å; V1295-R1299 WeakPolarHBondContact O-CG 3.03Å; V1295-R1299 PolarHBondContact O-N 2.86Å |
| 1296 | A | 93.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1292 Q1293 I1294 L1298 R1299 I1300 | A1292-A1296 WeakPolarHBondContact O-CB 3.2Å; A1292-A1296 PolarHBondContact O-N 2.89Å; Q1293-A1296 WeakPolarHBondContact O-CB 3.43Å; Q1293-A1296 PolarHBondContact O-N 2.68Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 2.84Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.93Å; A1296-R1299 PolarHBondContact O-N 2.73Å; A1296-I1300 WeakPolarHBondContact O-CD1 3.41Å; A1296-I1300 VanDerWaalsContact O-CG1 3.23Å; A1296-I1300 WeakPolarHBondContact O-CG1 3.46Å; A1296-I1300 PolarHBondContact O-N 3.14Å |
| 1297 | I | 93.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.3 | -47.4 | 176.4 | -67.6 | 156.3 | 0 | 0 | 0 | 110.8 | I1281 L1284 Q1293 I1294 I1300 | I1281-I1297 HydrophobicContact CG2-CG2 4.12Å; L1284-I1297 HydrophobicContact CD2-CD1 3.77Å; L1284-I1297 HydrophobicContact CD2-CG1 4.37Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.25Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.32Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; Q1293-I1297 PolarHBondContact O-N 2.83Å; I1294-I1297 PolarHBondContact O-N 2.85Å; I1297-I1300 PolarHBondContact O-N 3.05Å |
| 1298 | L | 94.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70 | -33.4 | 178.4 | -68.1 | 171.4 | 0 | 0 | 0 | 113.4 | K1225 L1230 F1232 L1234 I1281 I1294 V1295 A1296 V1307 L1309 | K1225-L1298 PolarHBondContact NZ-O 2.85Å; L1230-L1298 HydrophobicContact CD1-CB 4.32Å; L1230-L1298 HydrophobicContact CD1-CD2 3.71Å; L1230-L1298 HydrophobicContact CD1-CG 4.5Å; F1232-L1298 HydrophobicContact CE2-CD1 3.99Å; F1232-L1298 HydrophobicContact CZ-CD1 3.88Å; L1234-L1298 HydrophobicContact CD1-CD1 4.2Å; I1281-L1298 HydrophobicContact CD1-CD1 4.04Å; I1281-L1298 HydrophobicContact CD1-CD2 3.99Å; I1281-L1298 HydrophobicContact CD1-CG 3.94Å; I1281-L1298 HydrophobicContact CG2-CD2 3.64Å; I1281-L1298 HydrophobicContact CG2-CG 4.42Å; I1294-L1298 HydrophobicContact CG2-CD1 4.22Å; I1294-L1298 WeakPolarHBondContact O-CG 3.44Å; I1294-L1298 PolarHBondContact O-N 2.85Å; I1294-L1298 VanDerWaalsContact O-N 3.08Å; V1295-L1298 PolarHBondContact O-N 3.48Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.93Å; L1298-V1307 HydrophobicContact CD2-CG1 3.99Å; L1298-L1309 HydrophobicContact CD2-CD2 4.08Å |
| 1299 | R | 93 | Very high | 93.5 | Very high | 169 Ų | 169 | 58.8 Ų | 58.8 | 64% | 0.638 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 175.5 | -79.7 | -177.9 | 177.1 | -167.4 | -0.9 | 111.1 | D130 K1225 V1295 A1296 K1301 | D130-R1299 IonicContact OD2-NH2 3.73Å; D130-R1299 PolarHBondContact OD2-NH2 2.89Å; K1225-R1299 PolarHBondContact NZ-O 2.74Å; V1295-R1299 HydrophobicContact CG1-CG 4.1Å; V1295-R1299 VanDerWaalsContact O-CB 3.27Å; V1295-R1299 WeakPolarHBondContact O-CB 3.09Å; V1295-R1299 VanDerWaalsContact O-CG 3.29Å; V1295-R1299 WeakPolarHBondContact O-CG 3.03Å; V1295-R1299 PolarHBondContact O-N 2.86Å; A1296-R1299 PolarHBondContact O-N 2.73Å; R1299-K1301 PolarHBondContact O-N 3.43Å |
| 1300 | I | 92.7 | Very high | 93.8 | Very high | 139 Ų | 139 | 57.6 Ų | 57.6 | 71% | 0.713 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.8 | -31.4 | -177.2 | -71.9 | 162.7 | 0 | 0 | 0 | 114.1 | A1296 I1297 | A1296-I1300 WeakPolarHBondContact O-CD1 3.41Å; A1296-I1300 VanDerWaalsContact O-CG1 3.23Å; A1296-I1300 WeakPolarHBondContact O-CG1 3.46Å; A1296-I1300 PolarHBondContact O-N 3.14Å; I1297-I1300 PolarHBondContact O-N 3.05Å |
| 1301 | K | 92.6 | Very high | 94.1 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -58.1 | 132.2 | 179.3 | -65.8 | -77.9 | 165.4 | 157.8 | 0 | 111 | K1225 D1282 R1299 V1307 | K1225-K1301 HydrophobicContact CD-CB 4.27Å; K1225-K1301 WeakPolarHBondContact CD-O 3.5Å; K1225-K1301 WeakPolarHBondContact CE-O 3.32Å; K1225-K1301 PolarHBondContact NZ-O 2.9Å; D1282-K1301 VanDerWaalsContact CG-NZ 3.34Å; D1282-K1301 WeakPolarHBondContact OD2-CD 3.4Å; D1282-K1301 WeakPolarHBondContact OD2-CE 3.42Å; D1282-K1301 IonicContact OD2-NZ 3.99Å; D1282-K1301 PolarHBondContact OD2-NZ 2.89Å; R1299-K1301 PolarHBondContact O-N 3.43Å; K1301-V1307 HydrophobicContact CB-CG2 4.12Å; K1301-V1307 HydrophobicContact CD-CG2 4.43Å; K1301-V1307 HydrophobicContact CG-CG2 4.07Å |
| 1302 | P | 92.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 157.2 | -174.5 | 26.4 | -31 | 0 | 0 | 0 | 112.6 | G1304 S1305 | P1302-G1304 PolarHBondContact O-N 2.87Å; P1302-S1305 WeakPolarHBondContact O-CB 3.35Å; P1302-S1305 PolarHBondContact O-N 2.93Å; P1302-S1305 PolarHBondContact O-OG 2.66Å; P1302-S1305 VanDerWaalsContact O-OG 3.06Å |
| 1303 | V | 94.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 55 Ų | 55 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 137.3 | 172.7 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1304 | G | 92 | Very high | 93.7 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -13.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1224 K1225 P1302 | R1224-G1304 WeakPolarHBondContact CG-O 3.47Å; R1224-G1304 PolarHBondContact NE-O 3.23Å; R1224-G1304 VanDerWaalsContact NE-O 3.16Å; K1225-G1304 VanDerWaalsContact O-CA 3.32Å; K1225-G1304 WeakPolarHBondContact O-CA 3.17Å; K1225-G1304 PolarHBondContact O-N 2.87Å; P1302-G1304 PolarHBondContact O-N 2.87Å |
| 1305 | S | 94.1 | Very high | 93 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | | | trans | -71.1 | 148.8 | 179.9 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | R1224 K1225 P1302 | R1224-S1305 CarbonylContact C-O 3.57Å; R1224-S1305 WeakPolarHBondContact CA-O 3.33Å; K1225-S1305 PolarHBondContact N-O 3.12Å; P1302-S1305 WeakPolarHBondContact O-CB 3.35Å; P1302-S1305 PolarHBondContact O-N 2.93Å; P1302-S1305 PolarHBondContact O-OG 2.66Å; P1302-S1305 VanDerWaalsContact O-OG 3.06Å |
| 1306 | I | 95 | Very high | 91.8 | Very high | 106 Ų | 106 | 56 Ų | 56 | 54% | 0.544 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 142.1 | 165.2 | -60 | 173.9 | 0 | 0 | 0 | 108.4 | T1222 | T1222-I1306 HydrophobicContact CG2-CG2 3.42Å; T1222-I1306 VanDerWaalsContact CG2-CG2 3.42Å |
| 1307 | V | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.9 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L1223 L1230 I1281 D1282 L1298 K1301 L1309 | L1223-V1307 PolarHBondContact N-O 2.9Å; L1223-V1307 PolarHBondContact O-N 2.89Å; L1230-V1307 HydrophobicContact CD1-CG1 4.45Å; L1230-V1307 HydrophobicContact CD1-CG2 4.45Å; L1230-V1307 HydrophobicContact CD2-CB 4.24Å; L1230-V1307 HydrophobicContact CD2-CG2 4.21Å; I1281-V1307 HydrophobicContact CG2-CG1 4.16Å; D1282-V1307 WeakPolarHBondContact OD1-CA 3.45Å; L1298-V1307 HydrophobicContact CD2-CG1 3.99Å; K1301-V1307 HydrophobicContact CB-CG2 4.12Å; K1301-V1307 HydrophobicContact CD-CG2 4.43Å; K1301-V1307 HydrophobicContact CG-CG2 4.07Å; V1307-L1309 HydrophobicContact CG1-CD2 3.86Å; V1307-L1309 HydrophobicContact CG1-CG 4.41Å |
| 1308 | N | 96.8 | Very high | 89 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.2 | 178.5 | -64.7 | -17.7 | 0 | 0 | 0 | 109.5 | L1220 I1281 D1282 | L1220-N1308 HydrophobicContact CD1-CB 4.22Å; I1281-N1308 CarbonylContact C-O 3.55Å; I1281-N1308 WeakPolarHBondContact CA-O 3.43Å; D1282-N1308 PolarHBondContact N-O 3.42Å; D1282-N1308 PolarHBondContact OD1-N 3.1Å |
| 1309 | L | 96.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.8 | 178.9 | -56 | 177.5 | 0 | 0 | 0 | 108.8 | I1221 L1223 F1232 L1272 L1278 Q1280 I1281 L1298 V1307 V1311 | I1221-L1309 PolarHBondContact N-O 3.09Å; I1221-L1309 PolarHBondContact O-N 2.83Å; L1223-L1309 HydrophobicContact CD1-CD1 3.85Å; L1223-L1309 HydrophobicContact CG-CD1 4.41Å; F1232-L1309 HydrophobicContact CE1-CD1 3.81Å; F1232-L1309 HydrophobicContact CZ-CD1 3.86Å; L1272-L1309 HydrophobicContact CD2-CD1 4.48Å; L1278-L1309 HydrophobicContact CD2-CB 4.33Å; L1278-L1309 HydrophobicContact CD2-CD2 4.1Å; Q1280-L1309 WeakPolarHBondContact O-CA 3.41Å; I1281-L1309 HydrophobicContact CB-CD2 4.39Å; I1281-L1309 HydrophobicContact CD1-CD2 4.46Å; I1281-L1309 HydrophobicContact CG1-CD2 3.94Å; I1281-L1309 HydrophobicContact CG2-CD2 4.06Å; L1298-L1309 HydrophobicContact CD2-CD2 4.08Å; V1307-L1309 HydrophobicContact CG1-CD2 3.86Å; V1307-L1309 HydrophobicContact CG1-CG 4.41Å; L1309-V1311 HydrophobicContact CB-CG1 4.37Å |
| 1310 | L | 96.8 | Very high | 85.2 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.7 | 163.4 | -168.6 | 69.6 | 0 | 0 | 0 | 107.3 | D1218 L1220 I1279 Q1280 | D1218-L1310 HydrophobicContact CB-CD1 4.32Å; L1220-L1310 HydrophobicContact CB-CD1 4.35Å; I1279-L1310 HydrophobicContact CB-CB 4.45Å; I1279-L1310 HydrophobicContact CB-CD2 4.29Å; I1279-L1310 HydrophobicContact CB-CG 4.34Å; I1279-L1310 WeakPolarHBondContact CB-O 3.27Å; I1279-L1310 HydrophobicContact CG2-CD2 3.99Å; I1279-L1310 PolarHBondContact N-O 3.19Å; Q1280-L1310 HydrophobicContact CB-CB 3.5Å; Q1280-L1310 VanDerWaalsContact CB-CB 3.5Å; Q1280-L1310 HydrophobicContact CB-CD2 4.16Å; Q1280-L1310 HydrophobicContact CB-CG 4.47Å; Q1280-L1310 PolarHBondContact N-O 2.79Å; Q1280-L1310 VanDerWaalsContact N-O 3.11Å; Q1280-L1310 PolarHBondContact O-N 2.94Å |
| 1311 | V | 95.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.7 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | D1218 K1219 I1221 L1272 D1276 R1277 L1278 L1309 | D1218-V1311 CarbonylContact C-O 3.56Å; D1218-V1311 WeakPolarHBondContact CA-O 3.44Å; K1219-V1311 HydrophobicContact CB-CG2 4.19Å; K1219-V1311 PolarHBondContact N-O 3.24Å; K1219-V1311 PolarHBondContact O-N 3.39Å; I1221-V1311 HydrophobicContact CD1-CG2 3.53Å; I1221-V1311 HydrophobicContact CG1-CG2 4.22Å; L1272-V1311 HydrophobicContact CD1-CG1 3.88Å; D1276-V1311 HydrophobicContact CB-CB 4.06Å; D1276-V1311 HydrophobicContact CB-CG1 4.29Å; D1276-V1311 HydrophobicContact CB-CG2 4.27Å; R1277-V1311 CarbonylContact O-C 3.6Å; R1277-V1311 WeakPolarHBondContact O-CA 3.29Å; R1277-V1311 WeakPolarHBondContact O-CB 3.26Å; L1278-V1311 HydrophobicContact CD2-CG1 3.98Å; L1309-V1311 HydrophobicContact CB-CG1 4.37Å |
| 1312 | R | 94.3 | Very high | 81.4 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.8 | 171 | -169 | 163.8 | -65.7 | -168.8 | -5.2 | 110 | E1216 D1218 R1277 I1279 | E1216-R1312 HydrophobicContact CB-CG 3.88Å; E1216-R1312 WeakPolarHBondContact OE2-CD 3.34Å; E1216-R1312 IonicContact OE2-NH1 3.27Å; E1216-R1312 PolarHBondContact OE2-NH1 3.34Å; D1218-R1312 VanDerWaalsContact OD1-CB 3.25Å; D1218-R1312 WeakPolarHBondContact OD1-CB 3.34Å; D1218-R1312 WeakPolarHBondContact OD1-CG 3.45Å; D1218-R1312 IonicContact OD1-CZ 3.63Å; D1218-R1312 IonicContact OD1-NE 3.34Å; D1218-R1312 PolarHBondContact OD1-NE 2.91Å; D1218-R1312 IonicContact OD1-NH2 2.82Å; D1218-R1312 PolarHBondContact OD1-NH2 2.98Å; D1218-R1312 IonicContact OD2-CZ 3.25Å; D1218-R1312 IonicContact OD2-NE 2.68Å; D1218-R1312 IonicContact OD2-NH2 3.65Å; D1218-R1312 PolarHBondContact OD2-NH2 2.71Å; R1277-R1312 HydrophobicContact CB-CB 4.32Å; R1277-R1312 PolarHBondContact N-O 3.28Å; R1277-R1312 PolarHBondContact O-N 2.84Å; I1279-R1312 HydrophobicContact CD1-CB 3.93Å; I1279-R1312 HydrophobicContact CG1-CB 3.8Å |
| 1313 | R | 92.3 | Very high | 79.5 | Confident | 28 Ų | 28 | 62.7 Ų | 62.7 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.9 | 178.5 | -174.8 | 171.9 | -63.7 | 160.2 | 9.3 | 109.7 | E1216 E1217 Q1271 D1276 V1315 | E1216-R1313 CarbonylContact C-O 3.53Å; E1216-R1313 WeakPolarHBondContact CA-O 3.48Å; E1217-R1313 PolarHBondContact N-O 3.43Å; E1217-R1313 PolarHBondContact O-N 2.02Å; Q1271-R1313 PolarHBondContact O-NH2 2.81Å; D1276-R1313 VanDerWaalsContact CG-NH2 3.31Å; D1276-R1313 IonicContact OD1-CZ 2.86Å; D1276-R1313 IonicContact OD1-NE 3.01Å; D1276-R1313 PolarHBondContact OD1-NE 3.34Å; D1276-R1313 IonicContact OD1-NH2 2.78Å; D1276-R1313 PolarHBondContact OD1-NH2 3.35Å; D1276-R1313 VanDerWaalsContact OD1-NH2 3.11Å; D1276-R1313 IonicContact OD2-CZ 2.73Å; D1276-R1313 IonicContact OD2-NE 3.78Å; D1276-R1313 IonicContact OD2-NH2 2.74Å; D1276-R1313 PolarHBondContact OD2-NH2 3.47Å; R1313-V1315 HydrophobicContact CB-CG2 4.46Å; R1313-V1315 HydrophobicContact CG-CG2 3.99Å |
| 1314 | Q | 83.2 | Confident | 77.6 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.5 | 168 | -72.4 | 178.7 | -7.1 | 0 | 0 | 108.7 | I1214 E1216 | I1214-Q1314 HydrophobicContact CG2-CB 3.94Å; I1214-Q1314 HydrophobicContact CG2-CG 4.03Å; E1216-Q1314 HydrophobicContact CG-CG 4.17Å; E1216-Q1314 PolarHBondContact OE1-NE2 3.24Å |
| 1315 | V | 79.1 | Confident | 76.1 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.9 | -176 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | R1215 E1217 R1313 I1317 L1320 | R1215-V1315 PolarHBondContact N-O 3.42Å; R1215-V1315 PolarHBondContact O-N 3.09Å; E1217-V1315 HydrophobicContact CB-CG2 4.31Å; R1313-V1315 HydrophobicContact CB-CG2 4.46Å; R1313-V1315 HydrophobicContact CG-CG2 3.99Å; V1315-I1317 PolarHBondContact O-N 3.32Å; V1315-L1320 HydrophobicContact CG1-CD1 4.16Å; V1315-L1320 HydrophobicContact CG1-CG 4.47Å |
| 1316 | H | 68.8 | Low | 74.4 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 121.3 | 170.4 | -78 | -53.8 | 0 | 0 | 0 | 109.9 | T1206 C1213 I1214 C1318 Q1319 | T1206-H1316 WeakPolarHBondContact CG2-CE1 3.32Å; T1206-H1316 PolarHBondContact OG1-CE1 2.94Å; T1206-H1316 PolarHBondContact OG1-NE2 3.24Å; C1213-H1316 WeakPolarHBondContact O-CA 3.3Å; C1213-H1316 PolarHBondContact O-ND1 3.37Å; I1214-H1316 WeakPolarHBondContact CG1-CE1 3.36Å; H1316-C1318 PolarHBondContact O-N 3.22Å; H1316-C1318 VanDerWaalsContact O-N 3.08Å; H1316-Q1319 HydrophobicContact CB-CG 3.97Å; H1316-Q1319 WeakPolarHBondContact O-CB 3.49Å; H1316-Q1319 PolarHBondContact O-N 2.99Å |
| 1317 | I | 65.8 | Low | 72.4 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -52.3 | -38.7 | -177.9 | -50.5 | -180 | 0 | 0 | 0 | 110.5 | C1213 R1215 V1315 Q1319 L1320 H1321 | C1213-I1317 PolarHBondContact O-N 2.85Å; R1215-I1317 HydrophobicContact CB-CG1 4.46Å; R1215-I1317 HydrophobicContact CG-CD1 3.87Å; R1215-I1317 HydrophobicContact CG-CG1 3.82Å; V1315-I1317 PolarHBondContact O-N 3.32Å; I1317-Q1319 VanDerWaalsContact C-N 3.28Å; I1317-Q1319 PolarHBondContact O-N 2.97Å; I1317-L1320 WeakPolarHBondContact O-CB 3.48Å; I1317-L1320 PolarHBondContact O-N 3.44Å; I1317-H1321 PolarHBondContact O-N 2.98Å |
| 1318 | C | 62.4 | Low | 70.6 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -84.7 | 0.9 | -170.6 | -42.5 | 0 | 0 | 0 | 0 | 113.5 | C1207 H1316 C1325 | C1207-C1318 HydrophobicContact CB-CB 4.25Å; C1207-C1318 PolarHBondContact SG-SG 2.91Å; H1316-C1318 PolarHBondContact O-N 3.22Å; H1316-C1318 VanDerWaalsContact O-N 3.08Å; C1318-C1325 HydrophobicContact CB-CB 4.05Å; C1318-C1325 WeakPolarHBondContact SG-CB 3.49Å |
| 1319 | Q | 55.3 | Low | 68.7 | Low | 129 Ų | 129 | 67.3 Ų | 67.3 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -83.8 | -15 | 162.2 | -67.5 | 177.2 | -3.5 | 0 | 0 | 112.1 | H1316 I1317 | H1316-Q1319 HydrophobicContact CB-CG 3.97Å; H1316-Q1319 WeakPolarHBondContact O-CB 3.49Å; H1316-Q1319 PolarHBondContact O-N 2.99Å; I1317-Q1319 VanDerWaalsContact C-N 3.28Å; I1317-Q1319 PolarHBondContact O-N 2.97Å |
| 1320 | L | 53.4 | Low | 66.6 | Low | 119 Ų | 119 | 72.8 Ų | 72.8 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -46.4 | 178.2 | -62.1 | 172.4 | 0 | 0 | 0 | 111.4 | V1315 I1317 | V1315-L1320 HydrophobicContact CG1-CD1 4.16Å; V1315-L1320 HydrophobicContact CG1-CG 4.47Å; I1317-L1320 WeakPolarHBondContact O-CB 3.48Å; I1317-L1320 PolarHBondContact O-N 3.44Å |
| 1321 | H | 52.8 | Low | 64.4 | Low | 115 Ų | 115 | 74.4 Ų | 74.4 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | | | trans | -129.3 | 121.5 | 172.5 | -52.8 | 147.8 | 0 | 0 | 0 | 110.9 | I1317 Q1323 D1324 | I1317-H1321 PolarHBondContact O-N 2.98Å; H1321-Q1323 VanDerWaalsContact C-N 3.3Å; H1321-D1324 HydrophobicContact CB-CB 4.19Å; H1321-D1324 WeakPolarHBondContact CB-OD2 3.29Å; H1321-D1324 IonicContact CE1-OD2 2.71Å; H1321-D1324 IonicContact CG-OD2 2.95Å; H1321-D1324 IonicContact ND1-OD2 2.57Å; H1321-D1324 PolarHBondContact ND1-OD2 3.21Å |
| 1322 | T | 51.8 | Low | 62 | Low | 106 Ų | 106 | 79.5 Ų | 79.5 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -79.4 | -11.5 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1323 | Q | 53 | Low | 59.4 | Low | 151 Ų | 151 | 79.3 Ų | 79.3 | 71% | 0.706 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -96.8 | -20.3 | -177.8 | -63.2 | -174 | -2.8 | 0 | 0 | 113.9 | H1321 C1325 Q1329 | H1321-Q1323 VanDerWaalsContact C-N 3.3Å; Q1323-C1325 VanDerWaalsContact C-N 3.27Å; Q1323-C1325 PolarHBondContact O-N 3.48Å; Q1323-Q1329 PolarHBondContact O-NE2 3.31Å |
| 1324 | D | 53.5 | Low | 56.9 | Low | 113 Ų | 113 | 82.4 Ų | 82.4 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -81.9 | -4.8 | -175.8 | -64.5 | -5.2 | 0 | 0 | 0 | 113.3 | H1321 | H1321-D1324 HydrophobicContact CB-CB 4.19Å; H1321-D1324 WeakPolarHBondContact CB-OD2 3.29Å; H1321-D1324 IonicContact CE1-OD2 2.71Å; H1321-D1324 IonicContact CG-OD2 2.95Å; H1321-D1324 IonicContact ND1-OD2 2.57Å; H1321-D1324 PolarHBondContact ND1-OD2 3.21Å |
| 1325 | C | 61.8 | Low | 54.9 | Low | 7 Ų | 7 | 81.7 Ų | 81.7 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | | | trans | -114.2 | 99.7 | -174.6 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | C1207 C1209 C1318 Q1323 T1327 C1328 Q1329 | C1207-C1325 PolarHBondContact SG-SG 2.78Å; C1209-C1325 PolarHBondContact SG-SG 3.43Å; C1318-C1325 HydrophobicContact CB-CB 4.05Å; C1318-C1325 WeakPolarHBondContact SG-CB 3.49Å; Q1323-C1325 VanDerWaalsContact C-N 3.27Å; Q1323-C1325 PolarHBondContact O-N 3.48Å; C1325-T1327 PolarHBondContact O-N 3.24Å; C1325-C1328 HydrophobicContact CB-CB 4.14Å; C1325-C1328 PolarHBondContact O-N 3.42Å; C1325-C1328 VanDerWaalsContact O-N 3.09Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.33Å; C1325-Q1329 PolarHBondContact O-N 3.14Å |
| 1326 | L | 56.8 | Low | 52.8 | Low | 122 Ų | 122 | 85.9 Ų | 85.9 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -51.4 | -40.8 | 174 | -94.5 | 67.1 | 0 | 0 | 0 | 112.6 | C1328 Q1329 L1330 | L1326-C1328 VanDerWaalsContact C-N 3.33Å; L1326-C1328 PolarHBondContact O-N 2.89Å; L1326-Q1329 PolarHBondContact O-N 2.72Å; L1326-L1330 WeakPolarHBondContact O-CD1 3.49Å; L1326-L1330 PolarHBondContact O-N 2.87Å |
| 1327 | T | 53.5 | Low | 51.1 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -26.7 | -177.6 | -5.7 | 0 | 0 | 0 | 0 | 113.2 | C1208 C1209 C1325 L1331 | C1208-T1327 WeakPolarHBondContact O-CG2 3.41Å; C1209-T1327 VanDerWaalsContact SG-CB 3.57Å; C1325-T1327 PolarHBondContact O-N 3.24Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.21Å |
| 1328 | C | 58.7 | Low | 49.4 | Very low | 27 Ų | 27 | 91 Ų | 91 | 18% | 0.182 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -76.9 | -40.2 | 166.9 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | C1207 C1325 L1326 L1330 L1331 N1332 | C1207-C1328 PolarHBondContact SG-SG 3.33Å; C1325-C1328 HydrophobicContact CB-CB 4.14Å; C1325-C1328 PolarHBondContact O-N 3.42Å; C1325-C1328 VanDerWaalsContact O-N 3.09Å; L1326-C1328 VanDerWaalsContact C-N 3.33Å; L1326-C1328 PolarHBondContact O-N 2.89Å; C1328-L1330 VanDerWaalsContact C-N 3.34Å; C1328-L1330 PolarHBondContact O-N 2.73Å; C1328-L1331 PolarHBondContact O-N 3.3Å; C1328-N1332 PolarHBondContact O-N 2.87Å |
| 1329 | Q | 57.4 | Low | 47.8 | Very low | 73 Ų | 73 | 95 Ų | 95 | 34% | 0.341 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.3 | -72.7 | 175.5 | -31.1 | 0 | 0 | 112.5 | Q1323 C1325 L1326 L1331 N1332 S1333 | Q1323-Q1329 PolarHBondContact O-NE2 3.31Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.33Å; C1325-Q1329 PolarHBondContact O-N 3.14Å; L1326-Q1329 PolarHBondContact O-N 2.72Å; Q1329-L1331 PolarHBondContact O-N 3.27Å; Q1329-N1332 PolarHBondContact O-N 3.29Å; Q1329-S1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-S1333 PolarHBondContact O-N 2.93Å; Q1329-S1333 PolarHBondContact O-OG 3.18Å |
| 1330 | L | 52.4 | Low | 46.5 | Very low | 114 Ų | 114 | 93.9 Ų | 93.9 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 177.1 | -97.3 | 70.3 | 0 | 0 | 0 | 112.5 | L1326 C1328 T1334 | L1326-L1330 WeakPolarHBondContact O-CD1 3.49Å; L1326-L1330 PolarHBondContact O-N 2.87Å; C1328-L1330 VanDerWaalsContact C-N 3.34Å; C1328-L1330 PolarHBondContact O-N 2.73Å; L1330-T1334 PolarHBondContact O-N 3.08Å; L1330-T1334 VanDerWaalsContact O-N 3.14Å; L1330-T1334 PolarHBondContact O-OG1 3.28Å |
| 1331 | L | 49.9 | Very low | 45.3 | Very low | 73 Ų | 73 | 93.9 Ų | 93.9 | 38% | 0.382 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.2 | -39.1 | 175.1 | -88.9 | 92.3 | 0 | 0 | 0 | 113.1 | C1208 T1327 C1328 Q1329 S1333 T1334 I1335 | C1208-L1331 HydrophobicContact CB-CD1 3.6Å; C1208-L1331 HydrophobicContact CB-CD2 4.25Å; C1208-L1331 HydrophobicContact CB-CG 4.4Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.21Å; C1328-L1331 PolarHBondContact O-N 3.3Å; Q1329-L1331 PolarHBondContact O-N 3.27Å; L1331-S1333 PolarHBondContact O-N 2.9Å; L1331-T1334 WeakPolarHBondContact CA-OG1 3.44Å; L1331-T1334 PolarHBondContact O-N 3.24Å; L1331-T1334 PolarHBondContact O-OG1 2.88Å; L1331-I1335 WeakPolarHBondContact O-CB 3.19Å; L1331-I1335 VanDerWaalsContact O-CG1 3.28Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.45Å; L1331-I1335 PolarHBondContact O-N 2.83Å |
| 1332 | N | 45.6 | Very low | 44.2 | Very low | 106 Ų | 106 | 93.7 Ų | 93.7 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57 | -42.8 | 171.2 | -77.6 | 0.3 | 0 | 0 | 0 | 110.9 | C1328 Q1329 T1334 I1335 T1336 | C1328-N1332 PolarHBondContact O-N 2.87Å; Q1329-N1332 PolarHBondContact O-N 3.29Å; N1332-T1334 PolarHBondContact O-N 3Å; N1332-I1335 PolarHBondContact O-N 2.91Å; N1332-T1336 WeakPolarHBondContact O-CG2 2.99Å; N1332-T1336 PolarHBondContact O-N 2.81Å; N1332-T1336 PolarHBondContact O-OG1 2.99Å |
| 1333 | S | 40.3 | Very low | 43.1 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.3 | -34 | 178.8 | -54.1 | 0 | 0 | 0 | 0 | 114.1 | Q1329 L1331 T1336 S1337 | Q1329-S1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-S1333 PolarHBondContact O-N 2.93Å; Q1329-S1333 PolarHBondContact O-OG 3.18Å; L1331-S1333 PolarHBondContact O-N 2.9Å; S1333-T1336 PolarHBondContact O-OG1 2.91Å; S1333-S1337 PolarHBondContact O-OG 3.4Å |
| 1334 | T | 39 | Very low | 42 | Very low | 94 Ų | 94 | 91.7 Ų | 91.7 | 58% | 0.577 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.7 | -20.1 | 179.7 | 43.3 | 0 | 0 | 0 | 0 | 113.3 | L1330 L1331 N1332 S1337 | L1330-T1334 PolarHBondContact O-N 3.08Å; L1330-T1334 VanDerWaalsContact O-N 3.14Å; L1330-T1334 PolarHBondContact O-OG1 3.28Å; L1331-T1334 WeakPolarHBondContact CA-OG1 3.44Å; L1331-T1334 PolarHBondContact O-N 3.24Å; L1331-T1334 PolarHBondContact O-OG1 2.88Å; N1332-T1334 PolarHBondContact O-N 3Å; T1334-S1337 WeakPolarHBondContact CA-OG 3.14Å; T1334-S1337 PolarHBondContact O-OG 2.91Å |
| 1335 | I | 41.6 | Very low | 40.7 | Very low | 109 Ų | 109 | 91 Ų | 91 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.3 | -42.8 | 169.1 | -67.5 | 165.5 | 0 | 0 | 0 | 110.3 | L1331 N1332 S1337 S1338 | L1331-I1335 WeakPolarHBondContact O-CB 3.19Å; L1331-I1335 VanDerWaalsContact O-CG1 3.28Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.45Å; L1331-I1335 PolarHBondContact O-N 2.83Å; N1332-I1335 PolarHBondContact O-N 2.91Å; I1335-S1337 PolarHBondContact O-N 2.73Å; I1335-S1338 PolarHBondContact O-OG 2.73Å |
| 1336 | T | 35.8 | Very low | 39 | Very low | 109 Ų | 109 | 95.4 Ų | 95.4 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 1.8 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 115.6 | N1332 S1333 | N1332-T1336 WeakPolarHBondContact O-CG2 2.99Å; N1332-T1336 PolarHBondContact O-N 2.81Å; N1332-T1336 PolarHBondContact O-OG1 2.99Å; S1333-T1336 PolarHBondContact O-OG1 2.91Å |
| 1337 | S | 32.9 | Very low | 37.7 | Very low | 83 Ų | 83 | 99.5 Ų | 99.5 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 18.4 | -176.3 | 38.2 | 0 | 0 | 0 | 0 | 114.1 | S1333 T1334 I1335 | S1333-S1337 PolarHBondContact O-OG 3.4Å; T1334-S1337 WeakPolarHBondContact CA-OG 3.14Å; T1334-S1337 PolarHBondContact O-OG 2.91Å; I1335-S1337 PolarHBondContact O-N 2.73Å |
| 1338 | S | 30.6 | Very low | 36.6 | Very low | 102 Ų | 102 | 105.3 Ų | 105.3 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -125.7 | 8.4 | -176.5 | 62 | 0 | 0 | 0 | 0 | 116 | I1335 | I1335-S1338 PolarHBondContact O-OG 2.73Š|
| 1339 | S | 28.5 | Very low | 34.8 | Very low | 104 Ų | 104 | 109.1 Ų | 109.1 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | | | trans | -137.9 | 62.2 | -174.2 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1340 | S | 26.7 | Very low | 33.7 | Very low | 106 Ų | 106 | 110.3 Ų | 110.3 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | | | trans | -152.1 | 67.1 | -178.9 | 60.7 | 0 | 0 | 0 | 0 | 115 | | |
| 1341 | S | 29 | Very low | 32.4 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | | | trans | 171.7 | 141 | 156.7 | 34.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1342 | S | 29.5 | Very low | 31.5 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | | | cis | -164.8 | 167.7 | 28.4 | 38.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1343 | S | 29.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | cis | -174.3 | 155.4 | -11.5 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1344 | S | 29.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -159.8 | 106.8 | 137.7 | -90.4 | 0 | 0 | 0 | 0 | 108 | | |
| 1345 | S | 26.5 | Very low | 29.4 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | | 77.8 | 127.1 | 73.5 | 78.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1346 | T | 26.3 | Very low | 28.9 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | | | cis | -158.4 | 170.7 | 18.1 | -46.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1347 | Y | 28 | Very low | 28.4 | Very low | 207 Ų | 207 | 125.5 Ų | 125.5 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | | | trans | 77.5 | 134 | 169.5 | -50.3 | -70.3 | 0 | 0 | 0 | 115.1 | | |
| 1348 | Q | 30.7 | Very low | 28.3 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | cis | -139.9 | 167.8 | 8.7 | -120.3 | 162.8 | 11 | 0 | 0 | 111.5 | | |
| 1349 | S | 21.7 | Very low | 28.1 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -129 | -176 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1350 | P | 34.9 | Very low | 28.1 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -139.4 | -167.8 | -1.4 | 40.7 | -20.2 | 0 | 0 | 0 | 116.1 | | |
| 1351 | D | 24.9 | Very low | 27.9 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | 87.2 | 154.5 | 142 | -72.4 | -22.1 | 0 | 0 | 0 | 125.5 | | |
| 1352 | V | 30.8 | Very low | 27.7 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | trans | 90.3 | 101.7 | 158.8 | -160.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1353 | L | 30.2 | Very low | 27.6 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 51.4 | 134.6 | 154.6 | -82.9 | 71 | 0 | 0 | 0 | 119.9 | | |
| 1354 | N | 25.3 | Very low | 27.4 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | cis | 103.7 | 146.7 | 33.6 | -170.2 | 24 | 0 | 0 | 0 | 113.6 | | |
| 1355 | T | 26 | Very low | 27.3 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 50% | 0.497 | 76% | 0.756 | S | S | . | * | | | trans | 72.8 | 121.4 | 166.3 | 39.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1356 | R | 29.1 | Very low | 27.5 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | 80.1 | 112.2 | 135.2 | -66.3 | 165.2 | -173.7 | 142.7 | -0.6 | 120.5 | | |
| 1357 | N | 27.1 | Very low | 27.4 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | | 27.6 | 114.1 | 125.1 | -59.1 | -9.9 | 0 | 0 | 0 | 118.6 | | |
| 1358 | L | 29.6 | Very low | 27.4 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | | | | -106.9 | 153.9 | 129.9 | -101.8 | 82.3 | 0 | 0 | 0 | 109.8 | | |
| 1359 | K | 27 | Very low | 27.4 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | | | trans | -154.2 | 122 | -167.4 | 172.7 | -163.6 | 174.7 | -170.6 | 0 | 109.3 | | |
| 1360 | C | 27.2 | Very low | 27.5 | Very low | 126 Ų | 126 | 143 Ų | 143 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -156.4 | 133.5 | 166.7 | -94.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1361 | C | 24.3 | Very low | 27.5 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 52% | 0.52 | 78% | 0.775 | S | S | . | * | | | cis | 55.7 | 98.8 | 16.6 | -43.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1362 | D | 23.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | cis | -147.7 | 173.9 | 42.1 | -65.2 | -45.7 | 0 | 0 | 0 | 112.9 | | |
| 1363 | L | 27.5 | Very low | 27.5 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | | -161.3 | 101.4 | 127.6 | -109 | 164.9 | 0 | 0 | 0 | 111 | | |
| 1364 | T | 24.4 | Very low | 27.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | trans | -65.8 | 142 | 160 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1365 | L | 29 | Very low | 27.3 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | trans | -66.1 | 141 | 165.8 | -77.4 | 163.4 | 0 | 0 | 0 | 109.8 | | |
| 1366 | P | 30.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | | | | -143.8 | 144.8 | 107.5 | 35.2 | -20.3 | 0 | 0 | 0 | 116.4 | | |
| 1367 | H | 24.3 | Very low | 27.2 | Very low | 191 Ų | 191 | 132 Ų | 132 | 88% | 0.884 | 72% | 0.719 | S | S | * | * | | | trans | 14.6 | 128.8 | 151.8 | -52.7 | -80.8 | 0 | 0 | 0 | 121.9 | | |
| 1368 | G | 27.5 | Very low | 27.2 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -170.7 | 41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1369 | K | 30.5 | Very low | 27.1 | Very low | 213 Ų | 213 | 128 Ų | 128 | 93% | 0.926 | 70% | 0.702 | S | S | * | * | | | trans | 64 | 159.7 | 159.6 | -64 | -179.5 | 177.4 | 178.1 | 0 | 121.2 | | |
| 1370 | L | 23.8 | Very low | 27.2 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | trans | -112.9 | -175.4 | 178.3 | -107.3 | 70.6 | 0 | 0 | 0 | 109.8 | | |
| 1371 | P | 34.6 | Very low | 27.1 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | | | cis | -141.5 | 169.7 | -30.4 | 37.2 | -18.4 | 0 | 0 | 0 | 117.5 | | |
| 1372 | S | 28.6 | Very low | 27 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | trans | 71 | 162.6 | 149.4 | 74.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1373 | N | 27.2 | Very low | 27.1 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | | | cis | -173.8 | 173.7 | -17.9 | -101.7 | 21 | 0 | 0 | 0 | 111.9 | | |
| 1374 | Y | 26.2 | Very low | 27.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 43% | 0.427 | 72% | 0.718 | S | S | . | * | | | trans | 79.9 | 162 | 155.2 | -57.5 | -30.9 | 0 | 0 | 0 | 118.9 | Q540 S541 V544 | Q540-Y1374 CarbonylContact C-O 3.58Å; Q540-Y1374 VanDerWaalsContact C-O 3.3Å; Q540-Y1374 WeakPolarHBondContact CB-O 3.1Å; S541-Y1374 VanDerWaalsContact C-CA 3.44Å; S541-Y1374 PolarHBondContact N-O 2.74Å; S541-Y1374 WeakPolarHBondContact O-CA 3.2Å; S541-Y1374 PolarHBondContact O-N 3.14Å; V544-Y1374 HydrophobicContact CG2-CD1 4.47Å; V544-Y1374 HydrophobicContact CG2-CE1 3.61Å |
| 1375 | S | 25.9 | Very low | 27.3 | Very low | 59 Ų | 59 | 131.7 Ų | 131.7 | 41% | 0.413 | 72% | 0.718 | S | S | . | * | | | cis | -178.9 | 160 | -12.7 | -94.4 | 0 | 0 | 0 | 0 | 112.2 | D542 Y543 | D542-S1375 VanDerWaalsContact N-CA 3.26Å; Y543-S1375 WeakPolarHBondContact CD2-OG 3.4Å; Y543-S1375 PolarHBondContact N-OG 3.3Å |
| 1376 | W | 24.5 | Very low | 27.2 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 48% | 0.481 | 71% | 0.712 | S | S | . | * | | | cis | -169.3 | 158.4 | -11 | -171.7 | 44.1 | 0 | 0 | 0 | 112.3 | D542 Y543 | D542-W1376 VanDerWaalsContact OD1-CA 3.28Å; D542-W1376 WeakPolarHBondContact OD1-CA 3.46Å; D542-W1376 VanDerWaalsContact OD2-CD1 3.27Å; Y543-W1376 HydrophobicContact CD1-CD2 4.21Å; Y543-W1376 HydrophobicContact CD1-CE3 4.29Å; Y543-W1376 HydrophobicContact CD1-CH2 4.05Å; Y543-W1376 AromaticContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ3 4.22Å; Y543-W1376 HydrophobicContact CD2-CB 3.6Å; Y543-W1376 AromaticContact CD2-CD1 3.68Å; Y543-W1376 AromaticContact CD2-CD2 3.19Å; Y543-W1376 HydrophobicContact CD2-CD2 3.19Å; Y543-W1376 AromaticContact CD2-CE2 3.66Å; Y543-W1376 AromaticContact CD2-CE3 3.58Å; Y543-W1376 HydrophobicContact CD2-CE3 3.58Å; Y543-W1376 AromaticContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CZ2 4.38Å; Y543-W1376 HydrophobicContact CD2-CZ3 4.31Å; Y543-W1376 AromaticContact CD2-NE1 3.93Å; Y543-W1376 HydrophobicContact CE1-CD2 4.41Å; Y543-W1376 HydrophobicContact CE1-CE3 4.05Å; Y543-W1376 HydrophobicContact CE1-CH2 4.03Å; Y543-W1376 HydrophobicContact CE1-CZ2 4.39Å; Y543-W1376 AromaticContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE2-CB 3.85Å; Y543-W1376 AromaticContact CE2-CD2 3.44Å; Y543-W1376 HydrophobicContact CE2-CD2 3.44Å; Y543-W1376 VanDerWaalsContact CE2-CD2 3.44Å; Y543-W1376 AromaticContact CE2-CE3 3.28Å; Y543-W1376 HydrophobicContact CE2-CE3 3.28Å; Y543-W1376 AromaticContact CE2-CG 3.75Å; Y543-W1376 HydrophobicContact CE2-CG 3.75Å; Y543-W1376 AromaticContact CE2-CZ3 3.94Å; Y543-W1376 HydrophobicContact CE2-CZ3 3.94Å; Y543-W1376 AromaticContact CG-CD1 4Å; Y543-W1376 AromaticContact CG-CD2 3.62Å; Y543-W1376 HydrophobicContact CG-CD2 3.62Å; Y543-W1376 AromaticContact CG-CE2 3.54Å; Y543-W1376 HydrophobicContact CG-CE3 4.09Å; Y543-W1376 AromaticContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CH2 4.39Å; Y543-W1376 AromaticContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ3 4.45Å; Y543-W1376 AromaticContact CG-NE1 3.81Å; Y543-W1376 AromaticContact CZ-CE3 3.53Å; Y543-W1376 AromaticContact CZ-CZ3 3.68Å |
| 1377 | I | 27.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 60% | 0.595 | 72% | 0.723 | S | S | * | * | | | trans | 62 | 152.2 | 160.3 | 46.5 | 170.8 | 0 | 0 | 0 | 121.4 | | |
| 1378 | D | 28 | Very low | 27.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | cis | -160.5 | 169.8 | -12.5 | 178.6 | 36.2 | 0 | 0 | 0 | 111 | | |
| 1379 | T | 26 | Very low | 27.1 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | | | trans | 78.6 | 134.1 | 169.5 | 75.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1380 | R | 29.8 | Very low | 26.9 | Very low | 241 Ų | 241 | 132.5 Ų | 132.5 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | | | | -139.5 | 152.4 | 56.7 | -52.2 | -175 | -169.6 | -171.6 | 3.3 | 116.2 | | |
| 1381 | K | 25 | Very low | 26.9 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | | | trans | -53.2 | 145 | 164.3 | -54.1 | 165.2 | 179.2 | 174.6 | 0 | 112.5 | | |
| 1382 | C | 22.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | | | | 176.3 | 154.6 | 102.6 | -95.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1383 | S | 26.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | 32.1 | 133 | 154.6 | -54.4 | 0 | 0 | 0 | 0 | 122.3 | P1385 | S1383-P1385 WeakPolarHBondContact O-CD 3.42Š|
| 1384 | S | 29.8 | Very low | 26.1 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | trans | -63.1 | 139.6 | 154.5 | -39.6 | 0 | 0 | 0 | 0 | 112 | | |
| 1385 | P | 26.3 | Very low | 26.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | trans | -117.6 | 163.3 | 141.2 | 0.6 | 21.6 | 0 | 0 | 0 | 110.9 | S1383 | S1383-P1385 WeakPolarHBondContact O-CD 3.42Š|
| 1386 | P | 27.3 | Very low | 26.2 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | -73.3 | 142.1 | 177.3 | 31 | -34.6 | 0 | 0 | 0 | 111.5 | Q1388 | P1386-Q1388 PolarHBondContact O-N 2.86Š|
| 1387 | L | 29 | Very low | 26.3 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | | | trans | -71.3 | 101.7 | 169.1 | -74.9 | 178.8 | 0 | 0 | 0 | 110.2 | M1389 | L1387-M1389 PolarHBondContact O-N 2.88Š|
| 1388 | Q | 23.5 | Very low | 26.5 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | -61.2 | 113.3 | 157.6 | -65.7 | 173.1 | -18.1 | 0 | 0 | 108.1 | P1386 T1390 | P1386-Q1388 PolarHBondContact O-N 2.86Å; Q1388-T1390 PolarHBondContact O-N 3.35Å |
| 1389 | M | 26.1 | Very low | 26.9 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 76% | 0.755 | S | S | * | * | | | trans | -83.8 | 105.8 | 160.6 | -162.1 | 75.5 | 78.3 | 0 | 0 | 106.7 | L1387 | L1387-M1389 PolarHBondContact O-N 2.88Š|
| 1390 | T | 27.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -62.2 | 139.5 | 179.8 | 21.2 | 0 | 0 | 0 | 0 | 111.1 | Q1388 Y1392 | Q1388-T1390 PolarHBondContact O-N 3.35Å; T1390-Y1392 PolarHBondContact O-N 2.86Å |
| 1391 | L | 22.5 | Very low | 27.6 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | trans | -71.9 | 122.4 | 174.9 | -65 | 173.4 | 0 | 0 | 0 | 109.8 | Y1393 | L1391-Y1393 HydrophobicContact CD2-CE2 4.12Š|
| 1392 | Y | 26.2 | Very low | 28 | Very low | 231 Ų | 231 | 136 Ų | 136 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | | | trans | -126.3 | 111.7 | 151.6 | -116.4 | -91.3 | 0 | 0 | 0 | 106.9 | T1390 | T1390-Y1392 PolarHBondContact O-N 2.86Š|
| 1393 | Y | 24 | Very low | 28.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 57% | 0.569 | 73% | 0.729 | S | S | * | * | | | trans | -98.4 | 132.4 | 171 | -85.6 | -72.9 | 0 | 0 | 0 | 108.5 | L1391 T1397 | L1391-Y1393 HydrophobicContact CD2-CE2 4.12Å; Y1393-T1397 HydrophobicContact CD1-CG2 3.84Å; Y1393-T1397 HydrophobicContact CE1-CG2 3.69Å |
| 1394 | D | 25.2 | Very low | 28.7 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | | | trans | -159.4 | 128.8 | 133 | -102 | -32.6 | 0 | 0 | 0 | 109.3 | | |
| 1395 | G | 26.5 | Very low | 28.7 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 88.3 | 128.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1396 | L | 26 | Very low | 29 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 96% | 0.963 | 71% | 0.712 | S | S | * | * | | | trans | 64.3 | 61.4 | 172 | -54.8 | 178 | 0 | 0 | 0 | 117 | | |
| 1397 | T | 26.7 | Very low | 29.3 | Very low | 89 Ų | 89 | 141 Ų | 141 | 55% | 0.546 | 70% | 0.704 | S | S | . | * | | | trans | -70.3 | 171.1 | 162.5 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | Y1393 | Y1393-T1397 HydrophobicContact CD1-CG2 3.84Å; Y1393-T1397 HydrophobicContact CE1-CG2 3.69Å |
| 1398 | N | 31.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | | | trans | 101.1 | 40.1 | 165.7 | -53.1 | -17.3 | 0 | 0 | 0 | 119.1 | | |
| 1399 | L | 38.3 | Very low | 29.6 | Very low | 60 Ų | 60 | 136 Ų | 136 | 31% | 0.314 | 69% | 0.689 | S | S | . | * | | | trans | -123.6 | 113.6 | 144 | -127.7 | 88.4 | 0 | 0 | 0 | 109.2 | L1416 R1417 | L1399-L1416 HydrophobicContact CD2-CD2 4.36Å; L1399-R1417 VanDerWaalsContact CD1-O 3.23Å; L1399-R1417 WeakPolarHBondContact CD1-O 3.33Å |
| 1400 | E | 34.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | | | trans | -115.9 | 133.2 | -176.7 | -174.2 | 177 | -146.4 | 0 | 0 | 111 | V1402 | E1400-V1402 HydrophobicContact CB-CG2 4.44Å; E1400-V1402 HydrophobicContact CG-CG2 4.06Å; E1400-V1402 PolarHBondContact O-N 3.33Å |
| 1401 | R | 33.9 | Very low | 29.9 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | | | trans | -84.6 | 91.7 | 174.3 | -84.5 | -173.1 | -74.2 | -149.7 | -4.9 | 110.3 | | |
| 1402 | V | 34.4 | Very low | 30.2 | Very low | 52 Ų | 52 | 133.8 Ų | 133.8 | 32% | 0.315 | 68% | 0.675 | S | S | . | * | | | trans | -85.5 | 111.8 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 111 | E1400 H1404 | E1400-V1402 HydrophobicContact CB-CG2 4.44Å; E1400-V1402 HydrophobicContact CG-CG2 4.06Å; E1400-V1402 PolarHBondContact O-N 3.33Å; V1402-H1404 PolarHBondContact O-N 2.97Å |
| 1403 | F | 33.7 | Very low | 30.4 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | | | trans | -71.6 | 115.1 | 161 | -84 | -98.8 | 0 | 0 | 0 | 109 | L1409 | F1403-L1409 HydrophobicContact CD1-CD2 4.34Å; F1403-L1409 HydrophobicContact CE1-CD1 4.47Å; F1403-L1409 HydrophobicContact CE1-CD2 3.92Å |
| 1404 | H | 29.8 | Very low | 31 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 45% | 0.454 | 64% | 0.643 | S | S | . | * | | | trans | -97.4 | 123.5 | 175.3 | -132.2 | -77.1 | 0 | 0 | 0 | 109.9 | V1402 N1406 Y1407 | V1402-H1404 PolarHBondContact O-N 2.97Å; H1404-N1406 PolarHBondContact O-N 3.38Å; H1404-Y1407 HydrophobicContact CB-CD2 3.95Å; H1404-Y1407 HydrophobicContact CB-CE2 4.36Å |
| 1405 | P | 30.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 0.6 | -171.5 | 27.8 | -36.2 | 0 | 0 | 0 | 115.5 | | |
| 1406 | N | 31.3 | Very low | 31.6 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 6.7 | -174 | -67.6 | 0.8 | 0 | 0 | 0 | 114 | H1404 | H1404-N1406 PolarHBondContact O-N 3.38Š|
| 1407 | Y | 33.8 | Very low | 32 | Very low | 152 Ų | 152 | 112.4 Ų | 112.4 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -125.8 | 132.8 | 177.4 | -59.8 | -63.6 | 0 | 0 | 0 | 111.1 | H1404 | H1404-Y1407 HydrophobicContact CB-CD2 3.95Å; H1404-Y1407 HydrophobicContact CB-CE2 4.36Å |
| 1408 | P | 29.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 109.3 Ų | 109.3 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 141.3 | 176.7 | 29.5 | -34.1 | 0 | 0 | 0 | 110.9 | Y1410 | P1408-Y1410 PolarHBondContact O-N 3.04Š|
| 1409 | L | 28.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 108.3 Ų | 108.3 | 73% | 0.733 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 117.5 | -179.1 | -72.6 | 163.1 | 0 | 0 | 0 | 111.4 | F1403 | F1403-L1409 HydrophobicContact CD1-CD2 4.34Å; F1403-L1409 HydrophobicContact CE1-CD1 4.47Å; F1403-L1409 HydrophobicContact CE1-CD2 3.92Å |
| 1410 | Y | 29.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 107.8 Ų | 107.8 | 50% | 0.502 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 137.2 | 157.6 | -77.6 | -85.4 | 0 | 0 | 0 | 109.2 | P1408 D1412 A1504 | P1408-Y1410 PolarHBondContact O-N 3.04Å; Y1410-D1412 VanDerWaalsContact C-N 3.32Å; Y1410-D1412 PolarHBondContact O-N 2.87Å; Y1410-A1504 HydrophobicContact CE1-CB 3.71Å |
| 1411 | P | 30.6 | Very low | 33.6 | Very low | 117 Ų | 117 | 106 Ų | 106 | 76% | 0.76 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -24.6 | -173 | 25 | -32.5 | 0 | 0 | 0 | 114.4 | | |
| 1412 | D | 29.4 | Very low | 33.5 | Very low | 152 Ų | 152 | 98.9 Ų | 98.9 | 81% | 0.813 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 14.2 | -167.2 | -54 | -59.8 | 0 | 0 | 0 | 114.4 | Y1410 | Y1410-D1412 VanDerWaalsContact C-N 3.32Å; Y1410-D1412 PolarHBondContact O-N 2.87Å |
| 1413 | V | 31.4 | Very low | 33.4 | Very low | 70 Ų | 70 | 103.2 Ų | 103.2 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | | | trans | -108.9 | 112.8 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | L1415 | V1413-L1415 PolarHBondContact O-N 3.22Š|
| 1414 | I | 34.9 | Very low | 33 | Very low | 74 Ų | 74 | 99.5 Ų | 99.5 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | | | trans | -83.5 | 106.6 | 177.3 | -51.3 | -179.3 | 0 | 0 | 0 | 109.5 | L1416 | I1414-L1416 HydrophobicContact CG2-CD2 3.76Å; I1414-L1416 HydrophobicContact CG2-CG 3.91Å; I1414-L1416 PolarHBondContact O-N 3.47Å |
| 1415 | L | 29.7 | Very low | 32.8 | Very low | 93 Ų | 93 | 102 Ų | 102 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | | | trans | -71.3 | 116 | 172.3 | -67.5 | 89.8 | 0 | 0 | 0 | 110 | V1413 L1535 | V1413-L1415 PolarHBondContact O-N 3.22Å; L1415-L1535 HydrophobicContact CB-CD1 3.95Å; L1415-L1535 HydrophobicContact CD2-CD1 3.63Å; L1415-L1535 HydrophobicContact CG-CD1 3.61Å |
| 1416 | L | 35.9 | Very low | 32.7 | Very low | 16 Ų | 16 | 102.6 Ų | 102.6 | 8% | 0.084 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.5 | -179.8 | -66.8 | 178.3 | 0 | 0 | 0 | 112.9 | L1399 I1414 L1528 D1532 | L1399-L1416 HydrophobicContact CD2-CD2 4.36Å; I1414-L1416 HydrophobicContact CG2-CD2 3.76Å; I1414-L1416 HydrophobicContact CG2-CG 3.91Å; I1414-L1416 PolarHBondContact O-N 3.47Å; L1416-L1528 HydrophobicContact CD1-CD2 3.49Å; L1416-L1528 VanDerWaalsContact CD1-CD2 3.49Å; L1416-L1528 HydrophobicContact CD1-CG 4.03Å; L1416-D1532 HydrophobicContact CD1-CB 4.37Å; L1416-D1532 VanDerWaalsContact CD1-OD2 3.27Å; L1416-D1532 WeakPolarHBondContact CD1-OD2 3.29Å |
| 1417 | R | 32.9 | Very low | 32.6 | Very low | 92 Ų | 92 | 105.6 Ų | 105.6 | 35% | 0.347 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 109.4 | 163.1 | -83.3 | -178.7 | 154.9 | 163 | -1.8 | 108.8 | L1399 E1536 | L1399-R1417 VanDerWaalsContact CD1-O 3.23Å; L1399-R1417 WeakPolarHBondContact CD1-O 3.33Å; R1417-E1536 HydrophobicContact CG-CB 4.17Å; R1417-E1536 IonicContact CZ-OE1 3.14Å; R1417-E1536 IonicContact CZ-OE2 2.7Å; R1417-E1536 IonicContact NE-OE1 3.82Å; R1417-E1536 PolarHBondContact NE-OE1 3.36Å; R1417-E1536 IonicContact NE-OE2 2.66Å; R1417-E1536 PolarHBondContact NE-OE2 2.68Å; R1417-E1536 IonicContact NH2-OE1 2.8Å; R1417-E1536 IonicContact NH2-OE2 2.63Å; R1417-E1536 PolarHBondContact NH2-OE2 2.63Å |
| 1418 | L | 43 | Very low | 32.4 | Very low | 25 Ų | 25 | 107.2 Ų | 107.2 | 13% | 0.131 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.7 | 176.9 | -74.6 | 166.6 | 0 | 0 | 0 | 110.5 | L1528 L1534 E1536 I1537 N1538 | L1418-L1528 HydrophobicContact CD1-CD1 4.32Å; L1418-L1528 HydrophobicContact CD1-CD2 4.45Å; L1418-L1528 HydrophobicContact CD2-CD1 3.98Å; L1418-L1528 HydrophobicContact CD2-CG 4.44Å; L1418-L1534 HydrophobicContact CD1-CD2 4.08Å; L1418-E1536 PolarHBondContact N-O 2.69Å; L1418-I1537 HydrophobicContact CB-CG1 4.29Å; L1418-I1537 HydrophobicContact CB-CG2 4.36Å; L1418-I1537 HydrophobicContact CD1-CD1 4.27Å; L1418-I1537 HydrophobicContact CD1-CG1 4.25Å; L1418-N1538 PolarHBondContact O-N 2.95Å; L1418-N1538 PolarHBondContact O-OD1 3.05Å; L1418-N1538 VanDerWaalsContact O-OD1 3.1Å |
| 1419 | H | 39.4 | Very low | 32.3 | Very low | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.426 | 57% | 0.569 | S | S | . | * | | | trans | -101.8 | 106.6 | 164.2 | -79.6 | 103.5 | 0 | 0 | 0 | 110.1 | P1421 | H1419-P1421 WeakPolarHBondContact O-CD 3.45Š|
| 1420 | I | 50.7 | Low | 32.5 | Very low | 50 Ų | 50 | 110.7 Ų | 110.7 | 26% | 0.256 | 57% | 0.574 | S | S | . | * | | | trans | -89.5 | 110.2 | 169.8 | -55.3 | 172.3 | 0 | 0 | 0 | 107.3 | L1422 L1460 N1538 L1556 L1559 | I1420-L1422 PolarHBondContact O-N 3.23Å; I1420-L1460 HydrophobicContact CD1-CD1 4.17Å; I1420-L1460 HydrophobicContact CD1-CD2 4.46Å; I1420-N1538 PolarHBondContact N-OD1 3.35Å; I1420-N1538 PolarHBondContact O-ND2 3.49Å; I1420-L1556 HydrophobicContact CD1-CD2 3.81Å; I1420-L1559 HydrophobicContact CD1-CD1 4.31Å |
| 1421 | P | 34 | Very low | 32.6 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 71% | 0.714 | 59% | 0.585 | S | S | * | * | | | trans | -68.1 | 121.9 | 175.2 | 27.3 | -32.9 | 0 | 0 | 0 | 110.1 | H1419 | H1419-P1421 WeakPolarHBondContact O-CD 3.45Š|
| 1422 | L | 31.2 | Very low | 32.5 | Very low | 85 Ų | 85 | 111.5 Ų | 111.5 | 45% | 0.445 | 58% | 0.58 | S | S | . | * | | | trans | -73.7 | 130.9 | 157 | -66.3 | 176.7 | 0 | 0 | 0 | 107.4 | I1420 P1424 L1559 | I1420-L1422 PolarHBondContact O-N 3.23Å; L1422-P1424 WeakPolarHBondContact O-CD 3.32Å; L1422-L1559 HydrophobicContact CD1-CD2 3.81Å; L1422-L1559 HydrophobicContact CD2-CB 4.23Å; L1422-L1559 HydrophobicContact CD2-CD2 3.92Å; L1422-L1559 HydrophobicContact CG-CD2 3.88Å |
| 1423 | I | 31.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 108.8 Ų | 108.8 | 73% | 0.728 | 57% | 0.571 | S | S | * | * | | | trans | -96.9 | 102.1 | 164.2 | -59.2 | 175.4 | 0 | 0 | 0 | 106.6 | I1425 | I1423-I1425 HydrophobicContact CG2-CG1 4.42Å; I1423-I1425 PolarHBondContact O-N 2.99Å |
| 1424 | P | 26.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 113.9 Ų | 113.9 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | | | trans | -70.3 | 123.9 | 161 | 30.4 | -30.9 | 0 | 0 | 0 | 107.9 | L1422 N1426 | L1422-P1424 WeakPolarHBondContact O-CD 3.32Å; P1424-N1426 PolarHBondContact O-N 3.12Å; P1424-N1426 VanDerWaalsContact O-N 3.09Å |
| 1425 | I | 26 | Very low | 32.2 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | | | trans | -86.3 | 74.2 | 173.1 | -50.2 | 175.7 | 0 | 0 | 0 | 107.4 | I1423 | I1423-I1425 HydrophobicContact CG2-CG1 4.42Å; I1423-I1425 PolarHBondContact O-N 2.99Å |
| 1426 | N | 28.2 | Very low | 32 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | | | trans | -92 | 116.4 | 170.9 | -74.8 | 37 | 0 | 0 | 0 | 108.1 | P1424 E1428 | P1424-N1426 PolarHBondContact O-N 3.12Å; P1424-N1426 VanDerWaalsContact O-N 3.09Å; N1426-E1428 PolarHBondContact O-N 3.49Å; N1426-E1428 VanDerWaalsContact O-N 3.14Å |
| 1427 | E | 28.2 | Very low | 31.7 | Very low | 195 Ų | 195 | 124.8 Ų | 124.8 | 91% | 0.911 | 65% | 0.653 | S | S | * | * | | | trans | -72.4 | 98.4 | 173.1 | -63.6 | -176.2 | 143.9 | 0 | 0 | 109.5 | | |
| 1428 | E | 30.2 | Very low | 31.4 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | | | trans | -143.8 | 89.2 | 171.7 | -150.2 | 172.1 | -107 | 0 | 0 | 111.5 | N1426 | N1426-E1428 PolarHBondContact O-N 3.49Å; N1426-E1428 VanDerWaalsContact O-N 3.14Å |
| 1429 | N | 27.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | | | trans | -158 | 81.1 | 157.2 | -149.6 | -10.4 | 0 | 0 | 0 | 111 | | |
| 1430 | I | 31.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | | | trans | -162.8 | 108.6 | 145.5 | -91.7 | 141.9 | 0 | 0 | 0 | 107.9 | | |
| 1431 | D | 31.5 | Very low | 29.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -133.3 | 147.1 | 132.5 | -121.6 | -10.1 | 0 | 0 | 0 | 103.7 | | |
| 1432 | N | 29.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | | | cis | -145.8 | -167.6 | 23 | -124.3 | -59 | 0 | 0 | 0 | 109 | | |
| 1433 | P | 31.2 | Very low | 29 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | trans | -128 | 170.2 | -134.4 | 36.2 | -14.4 | 0 | 0 | 0 | 117.2 | | |
| 1434 | K | 28.7 | Very low | 28.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | | | trans | 42.8 | 98.6 | 144 | -66.2 | 169.9 | -176.6 | 172.8 | 0 | 118.9 | | |
| 1435 | N | 29.1 | Very low | 29 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | | | | 179.1 | 121.3 | 94.2 | -88.2 | -23 | 0 | 0 | 0 | 109.5 | | |
| 1436 | C | 25.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | | | | 79.6 | 108.7 | 52.4 | -64.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1437 | L | 30.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | | | trans | -152.3 | 124.8 | 138.3 | -140.2 | 81.5 | 0 | 0 | 0 | 110.2 | | |
| 1438 | N | 27 | Very low | 29.3 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | | | trans | 37.1 | 137.6 | 146.5 | -54.5 | -4.9 | 0 | 0 | 0 | 120.3 | | |
| 1439 | S | 29.8 | Very low | 29.4 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | | | cis | -166.1 | 159.2 | 11.9 | -141.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1440 | S | 29.3 | Very low | 29.4 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | | | trans | 52.3 | 129.2 | 135.1 | -62.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1441 | N | 31.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | | | cis | -160.6 | 157.1 | 12 | -90.4 | -20.8 | 0 | 0 | 0 | 112.4 | | |
| 1442 | N | 28.9 | Very low | 29.1 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 70% | 0.695 | 64% | 0.636 | S | S | * | * | | | trans | 64.7 | 103.6 | 144.6 | -66.7 | 10.9 | 0 | 0 | 0 | 120 | | |
| 1443 | T | 27.5 | Very low | 29 | Very low | 114 Ų | 114 | 105.4 Ų | 105.4 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | | | | 78.3 | 140.2 | 75.3 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1444 | T | 29.6 | Very low | 29 | Very low | 105 Ų | 105 | 105 Ų | 105 | 64% | 0.644 | 61% | 0.608 | S | S | * | * | | | cis | -175.1 | 167.6 | 3.5 | 24.1 | 0 | 0 | 0 | 0 | 108 | | |
| 1445 | N | 27.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 104 Ų | 104 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | | | cis | -170.4 | 178.6 | -26 | -101.6 | 17.6 | 0 | 0 | 0 | 107.6 | P1187 | P1187-N1445 WeakPolarHBondContact CD-O 3.38Š|
| 1446 | S | 28.9 | Very low | 29.1 | Very low | 38 Ų | 38 | 104.8 Ų | 104.8 | 27% | 0.266 | 60% | 0.601 | S | S | . | * | | | trans | 92.2 | 177.9 | 176 | 73.1 | 0 | 0 | 0 | 0 | 117.6 | P1186 P1187 H1188 | P1186-S1446 PolarHBondContact O-OG 2.9Å; P1187-S1446 CarbonylContact C-O 3.46Å; P1187-S1446 VanDerWaalsContact C-O 3.31Å; P1187-S1446 WeakPolarHBondContact CD-O 3.26Å; P1187-S1446 WeakPolarHBondContact CD-OG 3.5Å; P1187-S1446 CarbonylContact O-C 3.4Å; H1188-S1446 WeakPolarHBondContact CB-O 3.37Å |
| 1447 | N | 29.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 107.5 Ų | 107.5 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | | | | -151.1 | 122.9 | -81.7 | -79.2 | -27.3 | 0 | 0 | 0 | 114.5 | P1187 H1188 | P1187-N1447 PolarHBondContact O-N 2.75Å; H1188-N1447 CarbonylContact O-C 3.44Å; H1188-N1447 VanDerWaalsContact O-C 3.27Å |
| 1448 | S | 31 | Very low | 30.5 | Very low | 61 Ų | 61 | 107.2 Ų | 107.2 | 43% | 0.427 | 60% | 0.6 | S | S | . | * | | | trans | -157.2 | 171.7 | 153.3 | -0.2 | 0 | 0 | 0 | 0 | 111.5 | H1188 L1189 | H1188-S1448 PolarHBondContact O-N 3.34Å; H1188-S1448 PolarHBondContact O-OG 2.94Å; L1189-S1448 WeakPolarHBondContact CB-O 3.36Å; L1189-S1448 WeakPolarHBondContact O-CB 3.29Å; L1189-S1448 PolarHBondContact O-OG 2.84Å |
| 1449 | P | 31.3 | Very low | 31.9 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | | | trans | -116.9 | 148.8 | -168.6 | 38.5 | -28.1 | 0 | 0 | 0 | 116.2 | H1190 | H1190-P1449 CarbonylContact C-O 3.53Š|
| 1450 | L | 28.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 108.9 Ų | 108.9 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | | | trans | -81.5 | 137 | 179.3 | -132.6 | 151.5 | 0 | 0 | 0 | 109.6 | H1190 S1191 | H1190-L1450 VanDerWaalsContact CB-CA 3.41Å; H1190-L1450 HydrophobicContact CB-CB 3.57Å; H1190-L1450 HydrophobicContact CB-CD1 4.13Å; H1190-L1450 HydrophobicContact CB-CG 3.73Å; H1190-L1450 WeakPolarHBondContact ND1-CB 3.09Å; H1190-L1450 PolarHBondContact ND1-N 3Å; S1191-L1450 VanDerWaalsContact CB-CD2 3.41Å |
| 1451 | T | 28.5 | Very low | 36.7 | Very low | 38 Ų | 38 | 104.8 Ų | 104.8 | 23% | 0.233 | 56% | 0.558 | C | S | . | * | | | trans | -116.7 | 179.8 | 174.3 | 84.8 | 0 | 0 | 0 | 0 | 113.9 | S1191 I1192 D1193 | S1191-T1451 WeakPolarHBondContact O-CG2 3.16Å; S1191-T1451 PolarHBondContact O-N 3.11Å; S1191-T1451 PolarHBondContact O-OG1 3.46Å; I1192-T1451 WeakPolarHBondContact CA-OG1 3.4Å; I1192-T1451 HydrophobicContact CD1-CG2 3.85Å; I1192-T1451 HydrophobicContact CG1-CG2 4.04Å; D1193-T1451 PolarHBondContact N-OG1 2.68Å; D1193-T1451 WeakPolarHBondContact OD2-CB 3.18Å; D1193-T1451 PolarHBondContact OD2-OG1 3.07Å |
| 1452 | T | 27.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 100 Ų | 100 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | | | trans | -147.7 | 36.2 | -141.4 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | D1193 | D1193-T1452 PolarHBondContact OD2-N 2.64Š|
| 1453 | T | 28.1 | Very low | 41.7 | Very low | 12 Ų | 12 | 96.1 Ų | 96.1 | 7% | 0.074 | 52% | 0.516 | C | S | . | . | | | trans | -116.5 | 109.7 | 153.3 | 66.8 | 0 | 0 | 0 | 0 | 114.8 | D1193 H1194 R1195 R1456 | D1193-T1453 WeakPolarHBondContact CA-OG1 3.38Å; D1193-T1453 WeakPolarHBondContact CB-OG1 3.33Å; D1193-T1453 WeakPolarHBondContact OD1-CG2 3.21Å; D1193-T1453 PolarHBondContact OD1-OG1 3.44Å; D1193-T1453 VanDerWaalsContact OD1-OG1 3.05Å; D1193-T1453 PolarHBondContact OD2-N 2.91Å; H1194-T1453 VanDerWaalsContact CB-O 3.25Å; H1194-T1453 WeakPolarHBondContact CB-O 3.12Å; H1194-T1453 PolarHBondContact CD2-O 2.95Å; H1194-T1453 PolarHBondContact N-O 3Å; H1194-T1453 PolarHBondContact N-OG1 3.45Å; H1194-T1453 PolarHBondContact O-OG1 3.38Å; R1195-T1453 VanDerWaalsContact NH2-CG2 3.32Å; R1195-T1453 PolarHBondContact NH2-OG1 2.8Å; R1195-T1453 VanDerWaalsContact NH2-OG1 3.14Å; T1453-R1456 HydrophobicContact CG2-CB 4.26Å; T1453-R1456 HydrophobicContact CG2-CG 3.71Å |
| 1454 | S | 29.8 | Very low | 44.6 | Very low | 87 Ų | 87 | 92.6 Ų | 92.6 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | S | Bend | | -110.3 | 7.6 | 118.6 | -145.6 | 0 | 0 | 0 | 0 | 112.6 | H1194 | H1194-S1454 PolarHBondContact CD2-OG 3.49Å; H1194-S1454 PolarHBondContact CE1-OG 3.01Å; H1194-S1454 PolarHBondContact NE2-OG 2.73Å |
| 1455 | L | 32.3 | Very low | 47 | Very low | 157 Ų | 157 | 89.9 Ų | 89.9 | 82% | 0.822 | 47% | 0.472 | S | S | * | . | | | trans | -117.4 | 19.6 | -163.4 | -72 | 175.8 | 0 | 0 | 0 | 117.3 | Q1457 | L1455-Q1457 PolarHBondContact O-N 2.81Š|
| 1456 | R | 27.7 | Very low | 49.5 | Very low | 165 Ų | 165 | 86.8 Ų | 86.8 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -82.5 | 102.2 | 169.7 | -81.6 | -167.9 | -158.7 | -170 | 7.2 | 112.4 | T1453 | T1453-R1456 HydrophobicContact CG2-CB 4.26Å; T1453-R1456 HydrophobicContact CG2-CG 3.71Å |
| 1457 | Q | 43.3 | Very low | 51.4 | Low | 164 Ų | 164 | 85.6 Ų | 85.6 | 77% | 0.766 | 45% | 0.446 | S | S | * | . | | | trans | 73.8 | 56.2 | 147.1 | -55.6 | -178.9 | -12.6 | 0 | 0 | 118.8 | L1455 R1459 | L1455-Q1457 PolarHBondContact O-N 2.81Å; Q1457-R1459 PolarHBondContact O-N 2.88Å |
| 1458 | M | 42 | Very low | 52.4 | Low | 149 Ų | 149 | 85.4 Ų | 85.4 | 73% | 0.734 | 44% | 0.444 | S | S | * | . | | | trans | -67.5 | 115 | 147 | -77.9 | -163 | 176.5 | 0 | 0 | 109.2 | | |
| 1459 | R | 57.6 | Low | 53.3 | Low | 212 Ų | 212 | 83.9 Ų | 83.9 | 80% | 0.8 | 43% | 0.434 | S | S | * | . | | | trans | -72.1 | 155.8 | 170.7 | -69.1 | 179.2 | 173.9 | 174.2 | -1.3 | 109.9 | Q1457 G1461 | Q1457-R1459 PolarHBondContact O-N 2.88Å; R1459-G1461 PolarHBondContact O-N 3.11Å |
| 1460 | L | 77.2 | Confident | 53.6 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | | | trans | -54 | -22.2 | -178.1 | -168.1 | 66 | 0 | 0 | 0 | 114.1 | I1420 V1462 A1522 | I1420-L1460 HydrophobicContact CD1-CD1 4.17Å; I1420-L1460 HydrophobicContact CD1-CD2 4.46Å; L1460-V1462 VanDerWaalsContact C-N 3.35Å; L1460-V1462 HydrophobicContact CD2-CG2 4.14Å; L1460-V1462 HydrophobicContact CG-CG2 3.97Å; L1460-A1522 VanDerWaalsContact O-CB 3.29Å; L1460-A1522 WeakPolarHBondContact O-CB 3.3Å; L1460-A1522 PolarHBondContact O-N 2.68Å |
| 1461 | G | 82.2 | Confident | 54 | Low | 6 Ų | 6 | 89.5 Ų | 89.5 | 6% | 0.062 | 45% | 0.453 | C | S | . | . | | | trans | 78.3 | 17.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1459 I1517 | R1459-G1461 PolarHBondContact O-N 3.11Å; G1461-I1517 PolarHBondContact O-N 3.22Å |
| 1462 | V | 83.8 | Confident | 54.5 | Low | 32 Ų | 32 | 89.7 Ų | 89.7 | 19% | 0.194 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.6 | -178.9 | -170 | 0 | 0 | 0 | 0 | 110 | L1460 V1464 V1513 A1522 L1528 | L1460-V1462 VanDerWaalsContact C-N 3.35Å; L1460-V1462 HydrophobicContact CD2-CG2 4.14Å; L1460-V1462 HydrophobicContact CG-CG2 3.97Å; V1462-V1464 HydrophobicContact CG1-CG1 3.94Å; V1462-V1513 HydrophobicContact CG1-CB 4.49Å; V1462-V1513 HydrophobicContact CG1-CG1 3.83Å; V1462-V1513 HydrophobicContact CG1-CG2 4.07Å; V1462-A1522 HydrophobicContact CG2-CB 3.29Å; V1462-L1528 HydrophobicContact CG2-CD1 3.93Å |
| 1463 | S | 81.4 | Confident | 55.1 | Low | 47 Ų | 47 | 88.2 Ų | 88.2 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.1 | 164.4 | -171.8 | 0 | 0 | 0 | 0 | 109 | K1514 C1515 | S1463-K1514 PolarHBondContact O-N 3.02Å; S1463-C1515 WeakPolarHBondContact CB-O 2.88Å; S1463-C1515 PolarHBondContact N-O 3.44Å; S1463-C1515 PolarHBondContact O-N 3.03Å |
| 1464 | V | 88.1 | Confident | 55.6 | Low | 41 Ų | 41 | 93.8 Ų | 93.8 | 25% | 0.248 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.9 | -174.8 | -76.4 | 0 | 0 | 0 | 0 | 110.9 | V1462 V1511 I1512 L1534 L1549 L1552 | V1462-V1464 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CB-CG1 3.78Å; V1464-V1511 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CG2-CG1 4.47Å; V1464-I1512 WeakPolarHBondContact CA-O 3.22Å; V1464-L1534 HydrophobicContact CG1-CD1 3.59Å; V1464-L1549 HydrophobicContact CB-CD1 4.26Å; V1464-L1549 HydrophobicContact CG2-CD1 3.54Å; V1464-L1552 HydrophobicContact CG1-CD2 4.37Å; V1464-L1552 HydrophobicContact CG2-CD2 4.01Å |
| 1465 | R | 79.5 | Confident | 56.2 | Low | 48 Ų | 48 | 94.5 Ų | 94.5 | 18% | 0.181 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 163.5 | 166.7 | 68.3 | 158.5 | -160.2 | 174.2 | 4.3 | 110.5 | D1263 V1511 I1512 | D1263-R1465 IonicContact OD1-CZ 3.54Å; D1263-R1465 IonicContact OD1-NH2 3.22Å; D1263-R1465 PolarHBondContact OD1-NH2 3.04Å; D1263-R1465 IonicContact OD2-CZ 2.73Å; D1263-R1465 VanDerWaalsContact OD2-CZ 3.25Å; D1263-R1465 IonicContact OD2-NH1 3.44Å; D1263-R1465 PolarHBondContact OD2-NH1 3.05Å; D1263-R1465 IonicContact OD2-NH2 3.31Å; D1263-R1465 PolarHBondContact OD2-NH2 3.34Å; R1465-V1511 CarbonylContact O-C 3.53Å; R1465-V1511 WeakPolarHBondContact O-CA 3.48Å; R1465-I1512 HydrophobicContact CG-CB 4.48Å; R1465-I1512 PolarHBondContact N-O 3.42Å; R1465-I1512 PolarHBondContact O-N 2.86Å |
| 1466 | E | 81.5 | Confident | 56.6 | Low | 58 Ų | 58 | 92.3 Ų | 92.3 | 27% | 0.271 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 149.9 | 157.8 | -62.7 | -178.3 | 147.6 | 0 | 0 | 109 | N1468 N1547 P1548 L1549 | E1466-N1468 PolarHBondContact O-N 2.91Å; E1466-N1547 PolarHBondContact OE1-OD1 2.77Å; E1466-P1548 HydrophobicContact CG-CG 4.43Å; E1466-P1548 WeakPolarHBondContact OE1-CD 3.3Å; E1466-L1549 HydrophobicContact CG-CB 3.45Å; E1466-L1549 VanDerWaalsContact CG-CB 3.45Å; E1466-L1549 HydrophobicContact CG-CD2 4.04Å; E1466-L1549 HydrophobicContact CG-CG 4.32Å; E1466-L1549 WeakPolarHBondContact OE1-CB 3.31Å; E1466-L1549 PolarHBondContact OE1-N 3.28Å |
| 1467 | S | 68.8 | Low | 57.1 | Low | 13 Ų | 13 | 90 Ų | 90 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | | | trans | -71.9 | 118.5 | 166.8 | 44 | 0 | 0 | 0 | 0 | 108.8 | S1469 S1506 G1509 G1510 | S1467-S1469 PolarHBondContact O-N 3.34Å; S1467-S1506 PolarHBondContact OG-OG 3.32Å; S1467-G1509 WeakPolarHBondContact OG-CA 3.32Å; S1467-G1510 PolarHBondContact N-O 3.2Å; S1467-G1510 PolarHBondContact OG-N 3.46Å; S1467-G1510 PolarHBondContact OG-O 2.92Å |
| 1468 | N | 50.3 | Low | 57 | Low | 134 Ų | 134 | 87.2 Ų | 87.2 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | | | trans | -77.6 | 60.1 | -177.7 | -77.9 | 6.7 | 0 | 0 | 0 | 111.4 | E1466 S1470 | E1466-N1468 PolarHBondContact O-N 2.91Å; N1468-S1470 PolarHBondContact O-N 2.98Å |
| 1469 | S | 48.8 | Very low | 57.1 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 21% | 0.21 | 43% | 0.432 | C | S | . | . | | | trans | -70.8 | 82.7 | 171.9 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | S1467 R1471 A1472 S1506 | S1467-S1469 PolarHBondContact O-N 3.34Å; S1469-R1471 PolarHBondContact O-N 3.33Å; S1469-A1472 PolarHBondContact O-N 3Å; S1469-S1506 VanDerWaalsContact CB-O 3.31Å; S1469-S1506 WeakPolarHBondContact CB-O 3.4Å; S1469-S1506 PolarHBondContact OG-O 3.49Å |
| 1470 | S | 39.3 | Very low | 56.1 | Low | 103 Ų | 103 | 80 Ų | 80 | 72% | 0.72 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 4.7 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | N1468 | N1468-S1470 PolarHBondContact O-N 2.98Š|
| 1471 | R | 37.1 | Very low | 54.2 | Low | 200 Ų | 200 | 83.2 Ų | 83.2 | 76% | 0.755 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -27 | 168.8 | -80.9 | -178.4 | 142.9 | 104.7 | -3.9 | 113.9 | S1469 S1473 K1474 L1475 | S1469-R1471 PolarHBondContact O-N 3.33Å; R1471-S1473 PolarHBondContact O-N 2.93Å; R1471-K1474 PolarHBondContact O-N 2.83Å; R1471-L1475 PolarHBondContact O-N 3.35Å |
| 1472 | A | 38.8 | Very low | 52.1 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1469 K1474 | S1469-A1472 PolarHBondContact O-N 3Å; A1472-K1474 VanDerWaalsContact C-N 3.31Å; A1472-K1474 PolarHBondContact O-N 2.92Å |
| 1473 | S | 38.5 | Very low | 50 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 63% | 0.629 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -36.4 | 172.2 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | R1471 N1476 | R1471-S1473 PolarHBondContact O-N 2.93Å; S1473-N1476 PolarHBondContact O-N 3.4Å |
| 1474 | K | 39.9 | Very low | 47.8 | Very low | 130 Ų | 130 | 100.6 Ų | 100.6 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78 | -23.5 | -175.8 | -150.2 | 152.8 | -163.2 | 164.6 | 0 | 113.8 | R1471 A1472 N1476 E1477 L1478 | R1471-K1474 PolarHBondContact O-N 2.83Å; A1472-K1474 VanDerWaalsContact C-N 3.31Å; A1472-K1474 PolarHBondContact O-N 2.92Å; K1474-N1476 VanDerWaalsContact C-N 3.27Å; K1474-E1477 PolarHBondContact O-N 2.88Å; K1474-L1478 PolarHBondContact O-N 3.03Å; K1474-L1478 VanDerWaalsContact O-N 3.16Å |
| 1475 | L | 41.7 | Very low | 45 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -30.8 | 167.7 | -97.5 | 163 | 0 | 0 | 0 | 112.2 | R1471 L1478 S1479 | R1471-L1475 PolarHBondContact O-N 3.35Å; L1475-L1478 PolarHBondContact O-N 2.8Å; L1475-S1479 PolarHBondContact O-N 2.71Å |
| 1476 | N | 41.5 | Very low | 42.7 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79 | -17.4 | 177.4 | -127.4 | 5.8 | 0 | 0 | 0 | 113.5 | S1473 K1474 S1479 | S1473-N1476 PolarHBondContact O-N 3.4Å; K1474-N1476 VanDerWaalsContact C-N 3.27Å; N1476-S1479 PolarHBondContact O-OG 3.12Å; N1476-S1479 VanDerWaalsContact O-OG 3.08Å; N1476-S1479 PolarHBondContact OD1-OG 2.91Å |
| 1477 | E | 36.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 54% | 0.542 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.9 | -33.3 | 164.4 | -65.8 | -175.6 | 125.2 | 0 | 0 | 111.6 | K1474 N1481 | K1474-E1477 PolarHBondContact O-N 2.88Å; E1477-N1481 PolarHBondContact O-N 2.74Å; E1477-N1481 PolarHBondContact O-ND2 2.95Å |
| 1478 | L | 41.7 | Very low | 38.7 | Very low | 106 Ų | 106 | 126 Ų | 126 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.5 | -34.8 | 176.5 | -111.4 | 70.4 | 0 | 0 | 0 | 113 | K1474 L1475 Q1480 N1481 T1482 | K1474-L1478 PolarHBondContact O-N 3.03Å; K1474-L1478 VanDerWaalsContact O-N 3.16Å; L1475-L1478 PolarHBondContact O-N 2.8Å; L1478-Q1480 VanDerWaalsContact C-N 3.28Å; L1478-Q1480 PolarHBondContact O-N 2.57Å; L1478-N1481 PolarHBondContact O-N 3.41Å; L1478-T1482 PolarHBondContact O-N 3Å; L1478-T1482 PolarHBondContact O-OG1 3.18Å |
| 1479 | S | 43.5 | Very low | 37.8 | Very low | 58 Ų | 58 | 128.8 Ų | 128.8 | 41% | 0.406 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65 | -29.9 | 177.2 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | L1475 N1476 T1482 | L1475-S1479 PolarHBondContact O-N 2.71Å; N1476-S1479 PolarHBondContact O-OG 3.12Å; N1476-S1479 VanDerWaalsContact O-OG 3.08Å; N1476-S1479 PolarHBondContact OD1-OG 2.91Å; S1479-T1482 PolarHBondContact O-OG1 3.4Å |
| 1480 | Q | 38.6 | Very low | 37.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -81.6 | -24 | 176.7 | -62.9 | -176.1 | 17.7 | 0 | 0 | 113 | L1478 | L1478-Q1480 VanDerWaalsContact C-N 3.28Å; L1478-Q1480 PolarHBondContact O-N 2.57Å |
| 1481 | N | 36.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -94.6 | -3.2 | 180 | -75.9 | -73.3 | 0 | 0 | 0 | 114.5 | E1477 L1478 I1483 | E1477-N1481 PolarHBondContact O-N 2.74Å; E1477-N1481 PolarHBondContact O-ND2 2.95Å; L1478-N1481 PolarHBondContact O-N 3.41Å; N1481-I1483 VanDerWaalsContact C-N 3.35Å; N1481-I1483 PolarHBondContact O-N 3.01Å |
| 1482 | T | 38.1 | Very low | 36.6 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | | | trans | -87.2 | 5.4 | -176.9 | 28.5 | 0 | 0 | 0 | 0 | 114.9 | L1478 S1479 K1484 | L1478-T1482 PolarHBondContact O-N 3Å; L1478-T1482 PolarHBondContact O-OG1 3.18Å; S1479-T1482 PolarHBondContact O-OG1 3.4Å; T1482-K1484 VanDerWaalsContact C-N 3.33Å; T1482-K1484 PolarHBondContact O-N 3.06Å |
| 1483 | I | 39 | Very low | 36.5 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 50.8 | 170.5 | -41.6 | -178.3 | 0 | 0 | 0 | 111.1 | N1481 | N1481-I1483 VanDerWaalsContact C-N 3.35Å; N1481-I1483 PolarHBondContact O-N 3.01Å |
| 1484 | K | 35.3 | Very low | 36.5 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.7 | 2 | 171.2 | -121 | 163.7 | -171.3 | 174.2 | 0 | 117.9 | T1482 | T1482-K1484 VanDerWaalsContact C-N 3.33Å; T1482-K1484 PolarHBondContact O-N 3.06Å |
| 1485 | L | 31 | Very low | 36.4 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | | | trans | -123.3 | 88.1 | 176.9 | -67.6 | 175 | 0 | 0 | 0 | 110.7 | | |
| 1486 | R | 29.4 | Very low | 35.9 | Very low | 245 Ų | 245 | 145 Ų | 145 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | | | trans | -135.7 | 69.5 | 171.5 | -84.7 | -163.7 | 175.2 | -153.6 | 1.5 | 111.5 | | |
| 1487 | T | 32.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -154.8 | 150.7 | 159.3 | 42.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1488 | N | 34 | Very low | 35.2 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | | | trans | 88.4 | 76.6 | 177.4 | -51.7 | 3.1 | 0 | 0 | 0 | 115.4 | D1490 | N1488-D1490 PolarHBondContact O-N 3Š|
| 1489 | E | 31.4 | Very low | 34.8 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | | | trans | -74.2 | 94.1 | 160.9 | -61.3 | 174.2 | 137 | 0 | 0 | 109.4 | | |
| 1490 | D | 35 | Very low | 34.1 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | trans | -165.7 | 22.4 | 165.4 | -113.2 | -20.9 | 0 | 0 | 0 | 116.6 | N1488 | N1488-D1490 PolarHBondContact O-N 3Š|
| 1491 | R | 35.2 | Very low | 33.9 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | -127.4 | 17.9 | 177 | -59 | -167.4 | 81.8 | 142.8 | 4.3 | 115.2 | N1493 | R1491-N1493 VanDerWaalsContact C-N 3.27Å; R1491-N1493 PolarHBondContact O-N 2.75Å |
| 1492 | M | 31 | Very low | 33.7 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 1.8 | -172.9 | -77.5 | -64.3 | -67.8 | 0 | 0 | 116.3 | | |
| 1493 | N | 36.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 16.5 | -178.1 | -82.1 | -31 | 0 | 0 | 0 | 114.9 | R1491 | R1491-N1493 VanDerWaalsContact C-N 3.27Å; R1491-N1493 PolarHBondContact O-N 2.75Å |
| 1494 | Q | 37.7 | Very low | 33.5 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -131.9 | 15.1 | 178.2 | -149.4 | 172.2 | 49.5 | 0 | 0 | 114.2 | | |
| 1495 | I | 38.1 | Very low | 33.5 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -107.3 | -12.3 | 177.8 | -65.4 | 175.4 | 0 | 0 | 0 | 111.3 | S1497 | I1495-S1497 PolarHBondContact O-N 3.46Š|
| 1496 | T | 31.5 | Very low | 34.1 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 23.2 | -170.7 | 44.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1497 | S | 30.6 | Very low | 34.8 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 14.4 | -177.5 | 77.3 | 0 | 0 | 0 | 0 | 115.7 | I1495 | I1495-S1497 PolarHBondContact O-N 3.46Š|
| 1498 | F | 33.6 | Very low | 35.4 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 86% | 0.855 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -134.8 | 12.3 | 179.9 | -79.1 | -75.3 | 0 | 0 | 0 | 113.6 | | |
| 1499 | T | 32.1 | Very low | 36.4 | Very low | 57 Ų | 57 | 122.9 Ų | 122.9 | 35% | 0.35 | 63% | 0.629 | S | S | . | * | | | trans | -105.2 | -13.1 | -170.5 | 41 | 0 | 0 | 0 | 0 | 114.9 | S1501 I1503 | T1499-S1501 PolarHBondContact O-N 2.84Å; T1499-I1503 HydrophobicContact CG2-CD1 3.98Å; T1499-I1503 VanDerWaalsContact O-CD1 3.25Å; T1499-I1503 WeakPolarHBondContact O-CD1 3.31Å; T1499-I1503 WeakPolarHBondContact O-CG1 3.46Å |
| 1500 | D | 29.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 18.6 | -153.9 | -57.5 | -3.1 | 0 | 0 | 0 | 114.4 | | |
| 1501 | S | 33.3 | Very low | 40.9 | Very low | 94 Ų | 94 | 106.2 Ų | 106.2 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140 | -5.8 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 116 | T1499 | T1499-S1501 PolarHBondContact O-N 2.84Š|
| 1502 | Y | 32.1 | Very low | 43.4 | Very low | 213 Ų | 213 | 98 Ų | 98 | 84% | 0.835 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -141.1 | 21.2 | -171.9 | -73.6 | -74.4 | 0 | 0 | 0 | 114.7 | | |
| 1503 | I | 36.4 | Very low | 46 | Very low | 98 Ų | 98 | 90.7 Ų | 90.7 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | | | trans | -117.1 | 23.4 | -176.9 | -46.7 | -177.3 | 0 | 0 | 0 | 111.2 | T1499 I1507 | T1499-I1503 HydrophobicContact CG2-CD1 3.98Å; T1499-I1503 VanDerWaalsContact O-CD1 3.25Å; T1499-I1503 WeakPolarHBondContact O-CD1 3.31Å; T1499-I1503 WeakPolarHBondContact O-CG1 3.46Å; I1503-I1507 HydrophobicContact CG2-CD1 3.77Å; I1503-I1507 HydrophobicContact CG2-CG1 4.44Å |
| 1504 | A | 36.8 | Very low | 48.2 | Very low | 56 Ų | 56 | 86.6 Ų | 86.6 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | | | trans | -91 | -30.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1410 S1506 | Y1410-A1504 HydrophobicContact CE1-CB 3.71Å; A1504-S1506 PolarHBondContact O-N 2.98Å |
| 1505 | D | 35 | Very low | 50.2 | Low | 114 Ų | 114 | 80.1 Ų | 80.1 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -73.7 | 86.8 | -176.8 | -74.3 | 3.4 | 0 | 0 | 0 | 111 | K1268 | K1268-D1505 IonicContact NZ-OD2 3.11Å; K1268-D1505 PolarHBondContact NZ-OD2 3.42Å |
| 1506 | S | 44.7 | Very low | 52.4 | Low | 34 Ų | 34 | 75.3 Ų | 75.3 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | | | trans | 50.7 | 76.6 | 161.7 | -178.7 | 0 | 0 | 0 | 0 | 116.2 | S1467 S1469 A1504 Y1508 | S1467-S1506 PolarHBondContact OG-OG 3.32Å; S1469-S1506 VanDerWaalsContact CB-O 3.31Å; S1469-S1506 WeakPolarHBondContact CB-O 3.4Å; S1469-S1506 PolarHBondContact OG-O 3.49Å; A1504-S1506 PolarHBondContact O-N 2.98Å; S1506-Y1508 VanDerWaalsContact C-N 3.25Å; S1506-Y1508 PolarHBondContact OG-O 3.43Å |
| 1507 | I | 44.1 | Very low | 54.6 | Low | 91 Ų | 91 | 75.1 Ų | 75.1 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -65.5 | -35.1 | 156.3 | -72.3 | 178.7 | 0 | 0 | 0 | 110.4 | I1503 | I1503-I1507 HydrophobicContact CG2-CD1 3.77Å; I1503-I1507 HydrophobicContact CG2-CG1 4.44Å |
| 1508 | Y | 45.5 | Very low | 56.8 | Low | 144 Ų | 144 | 75.9 Ų | 75.9 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -102.3 | 122.4 | 177.9 | -52.7 | -69.5 | 0 | 0 | 0 | 109.3 | S1506 G1510 N1544 | S1506-Y1508 VanDerWaalsContact C-N 3.25Å; S1506-Y1508 PolarHBondContact OG-O 3.43Å; Y1508-G1510 PolarHBondContact O-N 2.71Å; Y1508-G1510 VanDerWaalsContact O-N 3.08Å; Y1508-N1544 WeakPolarHBondContact CD1-OD1 3.28Å |
| 1509 | G | 53.5 | Low | 58.7 | Low | 30 Ų | 30 | 67.8 Ų | 67.8 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | | | trans | -78.8 | 87.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S1467 | S1467-G1509 WeakPolarHBondContact OG-CA 3.32Š|
| 1510 | G | 75.9 | Confident | 60.8 | Low | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | | | trans | -96 | -178.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1467 Y1508 E1533 | S1467-G1510 PolarHBondContact N-O 3.2Å; S1467-G1510 PolarHBondContact OG-N 3.46Å; S1467-G1510 PolarHBondContact OG-O 2.92Å; Y1508-G1510 PolarHBondContact O-N 2.71Å; Y1508-G1510 VanDerWaalsContact O-N 3.08Å; G1510-E1533 WeakPolarHBondContact CA-OE1 2.99Å |
| 1511 | V | 85.5 | Confident | 63 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.6 | -176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | V1464 R1465 E1533 L1534 L1542 P1548 L1549 L1552 | V1464-V1511 HydrophobicContact CB-CG1 3.78Å; V1464-V1511 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CG2-CG1 4.47Å; R1465-V1511 CarbonylContact O-C 3.53Å; R1465-V1511 WeakPolarHBondContact O-CA 3.48Å; V1511-E1533 WeakPolarHBondContact O-CA 3.31Å; V1511-L1534 HydrophobicContact CB-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CD1 4.24Å; V1511-L1534 PolarHBondContact O-N 3.01Å; V1511-L1542 HydrophobicContact CB-CD1 4.45Å; V1511-L1542 HydrophobicContact CG2-CD1 4.42Å; V1511-P1548 HydrophobicContact CG2-CB 3.75Å; V1511-P1548 HydrophobicContact CG2-CG 3.81Å; V1511-L1549 HydrophobicContact CG1-CD1 4.42Å; V1511-L1549 HydrophobicContact CG2-CB 4.41Å; V1511-L1552 HydrophobicContact CG1-CD2 3.83Å |
| 1512 | I | 86.9 | Confident | 65.3 | Low | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.8 | -176.4 | -61.4 | 175.2 | 0 | 0 | 0 | 110.7 | V1464 R1465 K1514 D1532 E1533 | V1464-I1512 WeakPolarHBondContact CA-O 3.22Å; R1465-I1512 HydrophobicContact CG-CB 4.48Å; R1465-I1512 PolarHBondContact N-O 3.42Å; R1465-I1512 PolarHBondContact O-N 2.86Å; I1512-K1514 PolarHBondContact O-N 3.03Å; I1512-D1532 CarbonylContact C-O 3.55Å; I1512-D1532 WeakPolarHBondContact CA-O 3.27Å; I1512-E1533 HydrophobicContact CG1-CG 4.46Å |
| 1513 | V | 87 | Confident | 67.8 | Low | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 111.8 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 110 | V1462 I1516 L1528 Q1529 G1531 D1532 L1534 | V1462-V1513 HydrophobicContact CG1-CB 4.49Å; V1462-V1513 HydrophobicContact CG1-CG1 3.83Å; V1462-V1513 HydrophobicContact CG1-CG2 4.07Å; V1513-I1516 HydrophobicContact CG1-CD1 4.2Å; V1513-I1516 HydrophobicContact CG1-CG1 3.77Å; V1513-L1528 HydrophobicContact CG2-CD2 4.09Å; V1513-Q1529 WeakPolarHBondContact CB-O 3.1Å; V1513-Q1529 VanDerWaalsContact CG1-O 3.23Å; V1513-Q1529 WeakPolarHBondContact CG1-O 3.05Å; V1513-G1531 PolarHBondContact O-N 2.79Å; V1513-D1532 HydrophobicContact CB-CB 4.38Å; V1513-D1532 HydrophobicContact CG2-CB 4.03Å; V1513-D1532 PolarHBondContact N-O 3.46Å; V1513-L1534 HydrophobicContact CG2-CD1 4.19Å; V1513-L1534 HydrophobicContact CG2-CD2 3.84Å; V1513-L1534 HydrophobicContact CG2-CG 3.99Å |
| 1514 | K | 82.1 | Confident | 69.5 | Low | 71 Ų | 71 | 49 Ų | 49 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -37.5 | -177.7 | 177.6 | -178.6 | 174.3 | -178.7 | 0 | 112.7 | S1463 I1512 I1530 | S1463-K1514 PolarHBondContact O-N 3.02Å; I1512-K1514 PolarHBondContact O-N 3.03Å; K1514-I1530 WeakPolarHBondContact O-CG2 3.46Å |
| 1515 | C | 79.6 | Confident | 71.7 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 147.8 | -178.4 | -173 | 0 | 0 | 0 | 0 | 109.3 | S1463 | S1463-C1515 WeakPolarHBondContact CB-O 2.88Å; S1463-C1515 PolarHBondContact N-O 3.44Å; S1463-C1515 PolarHBondContact O-N 3.03Å |
| 1516 | I | 83.9 | Confident | 73.9 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.8 | 171.8 | -58 | -178.9 | 0 | 0 | 0 | 107 | V1513 E1518 A1522 H1523 L1528 I1530 | V1513-I1516 HydrophobicContact CG1-CD1 4.2Å; V1513-I1516 HydrophobicContact CG1-CG1 3.77Å; I1516-E1518 PolarHBondContact O-N 2.91Å; I1516-A1522 HydrophobicContact CG2-CB 4.02Å; I1516-H1523 HydrophobicContact CG2-CB 3.88Å; I1516-L1528 HydrophobicContact CD1-CB 3.81Å; I1516-L1528 WeakPolarHBondContact CD1-O 3.11Å; I1516-I1530 HydrophobicContact CG1-CG1 4.19Å |
| 1517 | I | 78.5 | Confident | 75.7 | Confident | 99 Ų | 99 | 51 Ų | 51 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | | | trans | -78.9 | 116 | -174 | -57.4 | 176.4 | 0 | 0 | 0 | 108.2 | G1461 G1519 G1520 H1523 | G1461-I1517 PolarHBondContact O-N 3.22Å; I1517-G1519 PolarHBondContact O-N 3.17Å; I1517-G1520 WeakPolarHBondContact O-CA 3.2Å; I1517-G1520 PolarHBondContact O-N 3.15Å; I1517-H1523 VanDerWaalsContact O-CB 3.23Å; I1517-H1523 WeakPolarHBondContact O-CB 3.35Å |
| 1518 | E | 76.4 | Confident | 77.6 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 127.4 | 174.1 | -68.7 | 168.8 | -167.8 | 0 | 0 | 110.9 | I1516 G1520 | I1516-E1518 PolarHBondContact O-N 2.91Å; E1518-G1520 PolarHBondContact O-N 2.94Å |
| 1519 | G | 72.4 | Confident | 79.4 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -10.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | I1517 H1523 K1524 | I1517-G1519 PolarHBondContact O-N 3.17Å; G1519-H1523 PolarHBondContact N-ND1 2.94Å; G1519-K1524 WeakPolarHBondContact O-CE 3.18Å |
| 1520 | G | 77.5 | Confident | 80.7 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -72.5 | 164.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1517 E1518 A1522 H1523 K1524 | I1517-G1520 WeakPolarHBondContact O-CA 3.2Å; I1517-G1520 PolarHBondContact O-N 3.15Å; E1518-G1520 PolarHBondContact O-N 2.94Å; G1520-A1522 VanDerWaalsContact C-N 3.33Å; G1520-A1522 PolarHBondContact O-N 3.49Å; G1520-H1523 WeakPolarHBondContact O-CA 3.37Å; G1520-H1523 WeakPolarHBondContact O-CB 3.29Å; G1520-H1523 PolarHBondContact O-N 3.32Å; G1520-K1524 WeakPolarHBondContact O-CG 3.31Å; G1520-K1524 PolarHBondContact O-N 3.4Å |
| 1521 | A | 75.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.8 | -40.1 | -169 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1524 D1525 | A1521-K1524 WeakPolarHBondContact O-CB 3.38Å; A1521-K1524 PolarHBondContact O-N 3.3Å; A1521-D1525 WeakPolarHBondContact O-CB 3.12Å; A1521-D1525 PolarHBondContact O-N 2.92Å |
| 1522 | A | 83.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.2 | -30.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1460 V1462 I1516 G1520 K1524 D1525 G1526 L1528 | L1460-A1522 VanDerWaalsContact O-CB 3.29Å; L1460-A1522 WeakPolarHBondContact O-CB 3.3Å; L1460-A1522 PolarHBondContact O-N 2.68Å; V1462-A1522 HydrophobicContact CG2-CB 3.29Å; I1516-A1522 HydrophobicContact CG2-CB 4.02Å; G1520-A1522 VanDerWaalsContact C-N 3.33Å; G1520-A1522 PolarHBondContact O-N 3.49Å; A1522-K1524 VanDerWaalsContact C-N 3.3Å; A1522-D1525 PolarHBondContact O-N 2.9Å; A1522-G1526 PolarHBondContact O-N 3.48Å; A1522-L1528 HydrophobicContact CB-CB 4.43Å; A1522-L1528 HydrophobicContact CB-CD1 3.72Å |
| 1523 | H | 84.3 | Confident | 80.8 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 169.1 | -179 | -80.2 | 0 | 0 | 0 | 111.1 | I1516 I1517 G1519 G1520 | I1516-H1523 HydrophobicContact CG2-CB 3.88Å; I1517-H1523 VanDerWaalsContact O-CB 3.23Å; I1517-H1523 WeakPolarHBondContact O-CB 3.35Å; G1519-H1523 PolarHBondContact N-ND1 2.94Å; G1520-H1523 WeakPolarHBondContact O-CA 3.37Å; G1520-H1523 WeakPolarHBondContact O-CB 3.29Å; G1520-H1523 PolarHBondContact O-N 3.32Å |
| 1524 | K | 71.9 | Confident | 80.9 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 175 | -68.4 | -161.3 | 171.5 | -177.3 | 0 | 112.7 | I1205 G1519 G1520 A1521 A1522 | I1205-K1524 HydrophobicContact CD1-CB 3.57Å; I1205-K1524 HydrophobicContact CD1-CD 4.08Å; I1205-K1524 HydrophobicContact CD1-CG 3.63Å; I1205-K1524 HydrophobicContact CG1-CB 4.32Å; I1205-K1524 HydrophobicContact CG1-CD 4.31Å; I1205-K1524 HydrophobicContact CG1-CG 3.86Å; G1519-K1524 WeakPolarHBondContact O-CE 3.18Å; G1520-K1524 WeakPolarHBondContact O-CG 3.31Å; G1520-K1524 PolarHBondContact O-N 3.4Å; A1521-K1524 WeakPolarHBondContact O-CB 3.38Å; A1521-K1524 PolarHBondContact O-N 3.3Å; A1522-K1524 VanDerWaalsContact C-N 3.3Å |
| 1525 | D | 82.8 | Confident | 81 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.8 | -38.4 | 177.4 | -175.9 | -86.7 | 0 | 0 | 0 | 112.8 | A1521 A1522 R1527 | A1521-D1525 WeakPolarHBondContact O-CB 3.12Å; A1521-D1525 PolarHBondContact O-N 2.92Å; A1522-D1525 PolarHBondContact O-N 2.9Å; D1525-R1527 PolarHBondContact O-N 3.23Å; D1525-R1527 VanDerWaalsContact OD1-CB 3.24Å; D1525-R1527 WeakPolarHBondContact OD1-CB 3.36Å; D1525-R1527 WeakPolarHBondContact OD1-CG 3.02Å; D1525-R1527 IonicContact OD1-CZ 3.43Å; D1525-R1527 PolarHBondContact OD1-N 2.57Å; D1525-R1527 IonicContact OD1-NE 2.89Å; D1525-R1527 PolarHBondContact OD1-NE 2.95Å; D1525-R1527 IonicContact OD1-NH2 2.74Å; D1525-R1527 IonicContact OD2-CZ 3.54Å; D1525-R1527 IonicContact OD2-NE 3.51Å; D1525-R1527 PolarHBondContact OD2-NE 2.96Å; D1525-R1527 IonicContact OD2-NH2 2.73Å; D1525-R1527 PolarHBondContact OD2-NH2 3.3Å |
| 1526 | G | 80.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 50% | 0.495 | 27% | 0.267 | S | S | . | . | | | trans | 71.7 | -6.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1522 | A1522-G1526 PolarHBondContact O-N 3.48Š|
| 1527 | R | 82.4 | Confident | 81.1 | Confident | 124 Ų | 124 | 48 Ų | 48 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | | | trans | -81.2 | -28.7 | 179.6 | -58.6 | 177.5 | -71.5 | -175.3 | -3.1 | 113.2 | D1525 | D1525-R1527 PolarHBondContact O-N 3.23Å; D1525-R1527 VanDerWaalsContact OD1-CB 3.24Å; D1525-R1527 WeakPolarHBondContact OD1-CB 3.36Å; D1525-R1527 WeakPolarHBondContact OD1-CG 3.02Å; D1525-R1527 IonicContact OD1-CZ 3.43Å; D1525-R1527 PolarHBondContact OD1-N 2.57Å; D1525-R1527 IonicContact OD1-NE 2.89Å; D1525-R1527 PolarHBondContact OD1-NE 2.95Å; D1525-R1527 IonicContact OD1-NH2 2.74Å; D1525-R1527 IonicContact OD2-CZ 3.54Å; D1525-R1527 IonicContact OD2-NE 3.51Å; D1525-R1527 PolarHBondContact OD2-NE 2.96Å; D1525-R1527 IonicContact OD2-NH2 2.73Å; D1525-R1527 PolarHBondContact OD2-NH2 3.3Å |
| 1528 | L | 85.3 | Confident | 81 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | | | trans | -77.3 | 141.1 | 169.3 | -82.1 | 159.2 | 0 | 0 | 0 | 110.4 | L1416 L1418 V1462 V1513 I1516 A1522 D1532 L1534 | L1416-L1528 HydrophobicContact CD1-CD2 3.49Å; L1416-L1528 VanDerWaalsContact CD1-CD2 3.49Å; L1416-L1528 HydrophobicContact CD1-CG 4.03Å; L1418-L1528 HydrophobicContact CD1-CD1 4.32Å; L1418-L1528 HydrophobicContact CD1-CD2 4.45Å; L1418-L1528 HydrophobicContact CD2-CD1 3.98Å; L1418-L1528 HydrophobicContact CD2-CG 4.44Å; V1462-L1528 HydrophobicContact CG2-CD1 3.93Å; V1513-L1528 HydrophobicContact CG2-CD2 4.09Å; I1516-L1528 HydrophobicContact CD1-CB 3.81Å; I1516-L1528 WeakPolarHBondContact CD1-O 3.11Å; A1522-L1528 HydrophobicContact CB-CB 4.43Å; A1522-L1528 HydrophobicContact CB-CD1 3.72Å; L1528-D1532 WeakPolarHBondContact CA-OD2 3.16Å; L1528-L1534 HydrophobicContact CD2-CD2 3.83Å |
| 1529 | Q | 82.6 | Confident | 80.9 | Confident | 110 Ų | 110 | 43.3 Ų | 43.3 | 51% | 0.514 | 25% | 0.254 | S | S | . | . | | | trans | -130.5 | 166.6 | 176.2 | -56.3 | -165.9 | 31.9 | 0 | 0 | 112.1 | V1513 G1531 D1532 | V1513-Q1529 WeakPolarHBondContact CB-O 3.1Å; V1513-Q1529 VanDerWaalsContact CG1-O 3.23Å; V1513-Q1529 WeakPolarHBondContact CG1-O 3.05Å; Q1529-G1531 PolarHBondContact O-N 3.44Å; Q1529-D1532 PolarHBondContact N-OD2 2.95Å |
| 1530 | I | 80.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 120.1 | 176.2 | -61.1 | 176.8 | 0 | 0 | 0 | 108.4 | I1260 I1267 V1274 K1514 I1516 | I1260-I1530 HydrophobicContact CB-CG2 4.44Å; I1267-I1530 HydrophobicContact CD1-CG2 4.37Å; V1274-I1530 HydrophobicContact CG2-CD1 3.74Å; K1514-I1530 WeakPolarHBondContact O-CG2 3.46Å; I1516-I1530 HydrophobicContact CG1-CG1 4.19Å |
| 1531 | G | 79.4 | Confident | 81.5 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | -19.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1513 Q1529 | V1513-G1531 PolarHBondContact O-N 2.79Å; Q1529-G1531 PolarHBondContact O-N 3.44Å |
| 1532 | D | 86 | Confident | 81.8 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | | | trans | -57.9 | 138.6 | 179.1 | -67.7 | -7.2 | 0 | 0 | 0 | 112 | L1416 I1512 V1513 L1528 Q1529 | L1416-D1532 HydrophobicContact CD1-CB 4.37Å; L1416-D1532 VanDerWaalsContact CD1-OD2 3.27Å; L1416-D1532 WeakPolarHBondContact CD1-OD2 3.29Å; I1512-D1532 CarbonylContact C-O 3.55Å; I1512-D1532 WeakPolarHBondContact CA-O 3.27Å; V1513-D1532 HydrophobicContact CB-CB 4.38Å; V1513-D1532 HydrophobicContact CG2-CB 4.03Å; V1513-D1532 PolarHBondContact N-O 3.46Å; L1528-D1532 WeakPolarHBondContact CA-OD2 3.16Å; Q1529-D1532 PolarHBondContact N-OD2 2.95Å |
| 1533 | E | 85.5 | Confident | 81.6 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125 | 170.8 | -164.5 | 177.4 | 173.1 | 0 | 0 | 110.4 | G1510 V1511 I1512 L1535 | G1510-E1533 WeakPolarHBondContact CA-OE1 2.99Å; V1511-E1533 WeakPolarHBondContact O-CA 3.31Å; I1512-E1533 HydrophobicContact CG1-CG 4.46Å; E1533-L1535 HydrophobicContact CB-CD2 4.22Å; E1533-L1535 HydrophobicContact CG-CD2 3.82Å; E1533-L1535 PolarHBondContact O-N 3.27Å |
| 1534 | L | 87.8 | Confident | 80.9 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 97.8 | 179.4 | -57.7 | -176.3 | 0 | 0 | 0 | 109.1 | L1418 V1464 V1511 V1513 L1528 I1537 L1542 L1552 | L1418-L1534 HydrophobicContact CD1-CD2 4.08Å; V1464-L1534 HydrophobicContact CG1-CD1 3.59Å; V1511-L1534 HydrophobicContact CB-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CD1 4.24Å; V1511-L1534 PolarHBondContact O-N 3.01Å; V1513-L1534 HydrophobicContact CG2-CD1 4.19Å; V1513-L1534 HydrophobicContact CG2-CD2 3.84Å; V1513-L1534 HydrophobicContact CG2-CG 3.99Å; L1528-L1534 HydrophobicContact CD2-CD2 3.83Å; L1534-I1537 HydrophobicContact CB-CD1 4.32Å; L1534-I1537 HydrophobicContact CD1-CD1 4.08Å; L1534-L1542 HydrophobicContact CB-CD1 4.17Å; L1534-L1542 WeakPolarHBondContact O-CB 3.24Å; L1534-L1542 WeakPolarHBondContact O-CD1 3.46Å; L1534-L1552 HydrophobicContact CD1-CD2 4.29Å |
| 1535 | L | 84.2 | Confident | 81.1 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -32.5 | -175.8 | -54.3 | 177.3 | 0 | 0 | 0 | 112.6 | L1415 E1533 L1542 V1543 | L1415-L1535 HydrophobicContact CB-CD1 3.95Å; L1415-L1535 HydrophobicContact CD2-CD1 3.63Å; L1415-L1535 HydrophobicContact CG-CD1 3.61Å; E1533-L1535 HydrophobicContact CB-CD2 4.22Å; E1533-L1535 HydrophobicContact CG-CD2 3.82Å; E1533-L1535 PolarHBondContact O-N 3.27Å; L1535-L1542 PolarHBondContact O-N 2.82Å; L1535-V1543 HydrophobicContact CB-CG2 3.85Å; L1535-V1543 HydrophobicContact CD2-CG2 3.57Å; L1535-V1543 HydrophobicContact CG-CG2 4.27Å |
| 1536 | E | 82.9 | Confident | 80.6 | Confident | 20 Ų | 20 | 50 Ų | 50 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 138.6 | -177.7 | -169.6 | -167.5 | 114.1 | 0 | 0 | 112.4 | R1417 L1418 V1540 V1541 | R1417-E1536 HydrophobicContact CG-CB 4.17Å; R1417-E1536 IonicContact CZ-OE1 3.14Å; R1417-E1536 IonicContact CZ-OE2 2.7Å; R1417-E1536 IonicContact NE-OE1 3.82Å; R1417-E1536 PolarHBondContact NE-OE1 3.36Å; R1417-E1536 IonicContact NE-OE2 2.66Å; R1417-E1536 PolarHBondContact NE-OE2 2.68Å; R1417-E1536 IonicContact NH2-OE1 2.8Å; R1417-E1536 IonicContact NH2-OE2 2.63Å; R1417-E1536 PolarHBondContact NH2-OE2 2.63Å; L1418-E1536 PolarHBondContact N-O 2.69Å; E1536-V1540 WeakPolarHBondContact CA-O 2.98Å; E1536-V1541 HydrophobicContact CG-CG2 4.07Å |
| 1537 | I | 83.2 | Confident | 80.5 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 121.5 | -179.3 | -58.8 | -179.3 | 0 | 0 | 0 | 109.9 | L1418 L1534 G1539 V1540 L1542 L1552 V1555 | L1418-I1537 HydrophobicContact CB-CG1 4.29Å; L1418-I1537 HydrophobicContact CB-CG2 4.36Å; L1418-I1537 HydrophobicContact CD1-CD1 4.27Å; L1418-I1537 HydrophobicContact CD1-CG1 4.25Å; L1534-I1537 HydrophobicContact CB-CD1 4.32Å; L1534-I1537 HydrophobicContact CD1-CD1 4.08Å; I1537-G1539 VanDerWaalsContact C-N 3.3Å; I1537-G1539 PolarHBondContact O-N 2.71Å; I1537-V1540 PolarHBondContact N-O 3.43Å; I1537-V1540 WeakPolarHBondContact O-CB 2.94Å; I1537-V1540 PolarHBondContact O-N 2.87Å; I1537-L1542 HydrophobicContact CD1-CD1 3.84Å; I1537-L1542 HydrophobicContact CG1-CD1 4.17Å; I1537-L1552 HydrophobicContact CD1-CD1 3.5Å; I1537-L1552 VanDerWaalsContact CD1-CD1 3.5Å; I1537-L1552 HydrophobicContact CD1-CD2 4.18Å; I1537-L1552 HydrophobicContact CD1-CG 4.36Å; I1537-V1555 HydrophobicContact CG2-CG1 4.32Å |
| 1538 | N | 76.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 49.9 | -174.4 | -74.5 | 40.7 | 0 | 0 | 0 | 112.6 | L1418 I1420 V1540 | L1418-N1538 PolarHBondContact O-N 2.95Å; L1418-N1538 PolarHBondContact O-OD1 3.05Å; L1418-N1538 VanDerWaalsContact O-OD1 3.1Å; I1420-N1538 PolarHBondContact N-OD1 3.35Å; I1420-N1538 PolarHBondContact O-ND2 3.49Å; N1538-V1540 PolarHBondContact O-N 2.81Å |
| 1539 | G | 75.2 | Confident | 80.4 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1537 | I1537-G1539 VanDerWaalsContact C-N 3.3Å; I1537-G1539 PolarHBondContact O-N 2.71Å |
| 1540 | V | 79.7 | Confident | 80.3 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 107.9 | 178 | -177 | 0 | 0 | 0 | 0 | 109.9 | E1536 I1537 N1538 L1551 V1555 | E1536-V1540 WeakPolarHBondContact CA-O 2.98Å; I1537-V1540 PolarHBondContact N-O 3.43Å; I1537-V1540 WeakPolarHBondContact O-CB 2.94Å; I1537-V1540 PolarHBondContact O-N 2.87Å; N1538-V1540 PolarHBondContact O-N 2.81Å; V1540-L1551 HydrophobicContact CG1-CD1 3.93Å; V1540-L1551 HydrophobicContact CG1-CD2 3.77Å; V1540-L1551 HydrophobicContact CG1-CG 3.86Å; V1540-V1555 HydrophobicContact CB-CG2 3.91Å; V1540-V1555 HydrophobicContact CG1-CG2 3.92Å; V1540-V1555 HydrophobicContact CG2-CG2 3.81Å |
| 1541 | V | 82.2 | Confident | 80.3 | Confident | 76 Ų | 76 | 44 Ų | 44 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.7 | 175.5 | -180 | 0 | 0 | 0 | 0 | 110.1 | E1536 V1543 | E1536-V1541 HydrophobicContact CG-CG2 4.07Å; V1541-V1543 HydrophobicContact CG1-CB 3.95Å; V1541-V1543 HydrophobicContact CG1-CG2 4.31Å |
| 1542 | L | 82.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | | | trans | -101 | -21.7 | 176 | -59.9 | -175.2 | 0 | 0 | 0 | 112.5 | V1511 L1534 L1535 I1537 N1544 A1545 P1548 L1551 L1552 | V1511-L1542 HydrophobicContact CB-CD1 4.45Å; V1511-L1542 HydrophobicContact CG2-CD1 4.42Å; L1534-L1542 HydrophobicContact CB-CD1 4.17Å; L1534-L1542 WeakPolarHBondContact O-CB 3.24Å; L1534-L1542 WeakPolarHBondContact O-CD1 3.46Å; L1535-L1542 PolarHBondContact O-N 2.82Å; I1537-L1542 HydrophobicContact CD1-CD1 3.84Å; I1537-L1542 HydrophobicContact CG1-CD1 4.17Å; L1542-N1544 PolarHBondContact O-N 3.3Å; L1542-A1545 WeakPolarHBondContact O-CB 3.32Å; L1542-A1545 PolarHBondContact O-N 2.8Å; L1542-A1545 VanDerWaalsContact O-N 3.17Å; L1542-P1548 HydrophobicContact CB-CB 4.28Å; L1542-L1551 HydrophobicContact CD2-CB 4.24Å; L1542-L1551 HydrophobicContact CD2-CD2 3.94Å; L1542-L1551 HydrophobicContact CD2-CG 3.97Å; L1542-L1552 HydrophobicContact CD1-CB 4.19Å; L1542-L1552 HydrophobicContact CD1-CD2 4.37Å; L1542-L1552 HydrophobicContact CD2-CB 4.33Å |
| 1543 | V | 77.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 128.2 | 174.3 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | L1535 V1541 A1545 | L1535-V1543 HydrophobicContact CB-CG2 3.85Å; L1535-V1543 HydrophobicContact CD2-CG2 3.57Å; L1535-V1543 HydrophobicContact CG-CG2 4.27Å; V1541-V1543 HydrophobicContact CG1-CB 3.95Å; V1541-V1543 HydrophobicContact CG1-CG2 4.31Å; V1543-A1545 PolarHBondContact O-N 2.89Å |
| 1544 | N | 70.2 | Confident | 80 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 13.6 | -177.8 | -59.6 | -25.3 | 0 | 0 | 0 | 115.7 | Y1508 L1542 | Y1508-N1544 WeakPolarHBondContact CD1-OD1 3.28Å; L1542-N1544 PolarHBondContact O-N 3.3Å |
| 1545 | A | 76.6 | Confident | 79.5 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | | | trans | -72 | 140.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1542 V1543 N1547 P1548 L1551 | L1542-A1545 WeakPolarHBondContact O-CB 3.32Å; L1542-A1545 PolarHBondContact O-N 2.8Å; L1542-A1545 VanDerWaalsContact O-N 3.17Å; V1543-A1545 PolarHBondContact O-N 2.89Å; A1545-N1547 PolarHBondContact O-N 3.45Å; A1545-P1548 HydrophobicContact CB-CB 4.22Å; A1545-P1548 WeakPolarHBondContact O-CD 3.3Å; A1545-L1551 HydrophobicContact CB-CD2 3.57Å |
| 1546 | N | 72.1 | Confident | 79.2 | Confident | 159 Ų | 159 | 50 Ų | 50 | 85% | 0.85 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.4 | 114.8 | 173.9 | -72.1 | -33.8 | 0 | 0 | 0 | 110 | | |
| 1547 | N | 78.6 | Confident | 78.6 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 56 | 68.4 | -174.5 | -167.8 | -40.7 | 0 | 0 | 0 | 111.6 | E1466 A1545 L1549 S1550 L1551 | E1466-N1547 PolarHBondContact OE1-OD1 2.77Å; A1545-N1547 PolarHBondContact O-N 3.45Å; N1547-L1549 PolarHBondContact O-N 2.81Å; N1547-S1550 WeakPolarHBondContact CB-OG 3.43Å; N1547-S1550 PolarHBondContact O-N 3.28Å; N1547-S1550 PolarHBondContact O-OG 3.38Å; N1547-S1550 WeakPolarHBondContact OD1-CB 3.37Å; N1547-S1550 PolarHBondContact OD1-N 2.78Å; N1547-S1550 PolarHBondContact OD1-OG 2.85Å; N1547-L1551 PolarHBondContact O-N 3.49Å; N1547-L1551 VanDerWaalsContact O-N 3.16Å |
| 1548 | P | 82 | Confident | 77.8 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -25.6 | -170.6 | 29.7 | -37.8 | 0 | 0 | 0 | 112.7 | E1466 V1511 L1542 A1545 L1551 L1552 | E1466-P1548 HydrophobicContact CG-CG 4.43Å; E1466-P1548 WeakPolarHBondContact OE1-CD 3.3Å; V1511-P1548 HydrophobicContact CG2-CB 3.75Å; V1511-P1548 HydrophobicContact CG2-CG 3.81Å; L1542-P1548 HydrophobicContact CB-CB 4.28Å; A1545-P1548 HydrophobicContact CB-CB 4.22Å; A1545-P1548 WeakPolarHBondContact O-CD 3.3Å; P1548-L1551 PolarHBondContact O-N 3.29Å; P1548-L1552 WeakPolarHBondContact O-CB 3.48Å; P1548-L1552 PolarHBondContact O-N 3.36Å |
| 1549 | L | 82.4 | Confident | 77 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.1 | -30.3 | 174.3 | -171.4 | 65.6 | 0 | 0 | 0 | 112.3 | V1464 E1466 V1511 N1547 L1552 R1553 | V1464-L1549 HydrophobicContact CB-CD1 4.26Å; V1464-L1549 HydrophobicContact CG2-CD1 3.54Å; E1466-L1549 HydrophobicContact CG-CB 3.45Å; E1466-L1549 VanDerWaalsContact CG-CB 3.45Å; E1466-L1549 HydrophobicContact CG-CD2 4.04Å; E1466-L1549 HydrophobicContact CG-CG 4.32Å; E1466-L1549 WeakPolarHBondContact OE1-CB 3.31Å; E1466-L1549 PolarHBondContact OE1-N 3.28Å; V1511-L1549 HydrophobicContact CG1-CD1 4.42Å; V1511-L1549 HydrophobicContact CG2-CB 4.41Å; N1547-L1549 PolarHBondContact O-N 2.81Å; L1549-L1552 HydrophobicContact CD1-CD2 4.29Å; L1549-R1553 WeakPolarHBondContact O-CB 3.37Å; L1549-R1553 WeakPolarHBondContact O-CD 3.46Å; L1549-R1553 WeakPolarHBondContact O-CG 3.35Å; L1549-R1553 PolarHBondContact O-N 2.84Å |
| 1550 | S | 80.8 | Confident | 75.9 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.9 | -37.9 | 168.5 | 76 | 0 | 0 | 0 | 0 | 112.1 | N1547 R1553 S1554 | N1547-S1550 WeakPolarHBondContact CB-OG 3.43Å; N1547-S1550 PolarHBondContact O-N 3.28Å; N1547-S1550 PolarHBondContact O-OG 3.38Å; N1547-S1550 WeakPolarHBondContact OD1-CB 3.37Å; N1547-S1550 PolarHBondContact OD1-N 2.78Å; N1547-S1550 PolarHBondContact OD1-OG 2.85Å; S1550-R1553 CarbonylContact O-C 3.44Å; S1550-R1553 PolarHBondContact O-N 2.82Å; S1550-S1554 WeakPolarHBondContact O-CB 3.14Å; S1550-S1554 PolarHBondContact O-N 3.49Å |
| 1551 | L | 82 | Confident | 74.2 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -50.4 | 176 | -178.6 | 56.7 | 0 | 0 | 0 | 110.7 | V1540 L1542 A1545 N1547 P1548 R1553 S1554 V1555 | V1540-L1551 HydrophobicContact CG1-CD1 3.93Å; V1540-L1551 HydrophobicContact CG1-CD2 3.77Å; V1540-L1551 HydrophobicContact CG1-CG 3.86Å; L1542-L1551 HydrophobicContact CD2-CB 4.24Å; L1542-L1551 HydrophobicContact CD2-CD2 3.94Å; L1542-L1551 HydrophobicContact CD2-CG 3.97Å; A1545-L1551 HydrophobicContact CB-CD2 3.57Å; N1547-L1551 PolarHBondContact O-N 3.49Å; N1547-L1551 VanDerWaalsContact O-N 3.16Å; P1548-L1551 PolarHBondContact O-N 3.29Å; L1551-R1553 PolarHBondContact O-N 2.76Å; L1551-S1554 CarbonylContact O-C 3.58Å; L1551-S1554 WeakPolarHBondContact O-CA 3.39Å; L1551-S1554 VanDerWaalsContact O-CB 3.29Å; L1551-S1554 WeakPolarHBondContact O-CB 3.38Å; L1551-S1554 PolarHBondContact O-N 3.33Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.43Å; L1551-V1555 PolarHBondContact O-N 2.9Å |
| 1552 | L | 84.6 | Confident | 72.3 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53.5 | -51.5 | 171.8 | 167.1 | 44.5 | 0 | 0 | 0 | 112.1 | V1464 V1511 L1534 I1537 L1542 P1548 L1549 S1554 V1555 L1556 | V1464-L1552 HydrophobicContact CG1-CD2 4.37Å; V1464-L1552 HydrophobicContact CG2-CD2 4.01Å; V1511-L1552 HydrophobicContact CG1-CD2 3.83Å; L1534-L1552 HydrophobicContact CD1-CD2 4.29Å; I1537-L1552 HydrophobicContact CD1-CD1 3.5Å; I1537-L1552 VanDerWaalsContact CD1-CD1 3.5Å; I1537-L1552 HydrophobicContact CD1-CD2 4.18Å; I1537-L1552 HydrophobicContact CD1-CG 4.36Å; L1542-L1552 HydrophobicContact CD1-CB 4.19Å; L1542-L1552 HydrophobicContact CD1-CD2 4.37Å; L1542-L1552 HydrophobicContact CD2-CB 4.33Å; P1548-L1552 WeakPolarHBondContact O-CB 3.48Å; P1548-L1552 PolarHBondContact O-N 3.36Å; L1549-L1552 HydrophobicContact CD1-CD2 4.29Å; L1552-S1554 PolarHBondContact O-N 3.42Å; L1552-V1555 PolarHBondContact O-N 2.86Å; L1552-L1556 HydrophobicContact CD1-CD1 3.56Å; L1552-L1556 HydrophobicContact CD1-CG 3.81Å; L1552-L1556 HydrophobicContact CG-CD1 4.46Å; L1552-L1556 PolarHBondContact O-N 3.48Å |
| 1553 | R | 80.7 | Confident | 70.3 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -25 | 174.3 | -73.4 | 171.2 | -177.7 | 139.1 | -9.3 | 112.7 | L1549 S1550 L1551 R1557 | L1549-R1553 WeakPolarHBondContact O-CB 3.37Å; L1549-R1553 WeakPolarHBondContact O-CD 3.46Å; L1549-R1553 WeakPolarHBondContact O-CG 3.35Å; L1549-R1553 PolarHBondContact O-N 2.84Å; S1550-R1553 CarbonylContact O-C 3.44Å; S1550-R1553 PolarHBondContact O-N 2.82Å; L1551-R1553 PolarHBondContact O-N 2.76Å; R1553-R1557 WeakPolarHBondContact O-CB 3.42Å; R1553-R1557 VanDerWaalsContact O-CG 3.28Å; R1553-R1557 WeakPolarHBondContact O-CG 3.5Å; R1553-R1557 PolarHBondContact O-N 2.73Å; R1553-R1557 PolarHBondContact O-NE 2.84Å |
| 1554 | S | 78 | Confident | 68.2 | Low | 42 Ų | 42 | 74.9 Ų | 74.9 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.5 | -40.8 | 174.9 | -168.3 | 0 | 0 | 0 | 0 | 112 | S1550 L1551 L1552 R1557 K1558 | S1550-S1554 WeakPolarHBondContact O-CB 3.14Å; S1550-S1554 PolarHBondContact O-N 3.49Å; L1551-S1554 CarbonylContact O-C 3.58Å; L1551-S1554 WeakPolarHBondContact O-CA 3.39Å; L1551-S1554 VanDerWaalsContact O-CB 3.29Å; L1551-S1554 WeakPolarHBondContact O-CB 3.38Å; L1551-S1554 PolarHBondContact O-N 3.33Å; L1552-S1554 PolarHBondContact O-N 3.42Å; S1554-R1557 PolarHBondContact O-N 3.31Å; S1554-K1558 WeakPolarHBondContact O-CG 3.07Å; S1554-K1558 PolarHBondContact O-N 3.25Å |
| 1555 | V | 78.2 | Confident | 66.3 | Low | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -53.5 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | I1537 V1540 L1551 L1552 R1557 K1558 L1559 | I1537-V1555 HydrophobicContact CG2-CG1 4.32Å; V1540-V1555 HydrophobicContact CB-CG2 3.91Å; V1540-V1555 HydrophobicContact CG1-CG2 3.92Å; V1540-V1555 HydrophobicContact CG2-CG2 3.81Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.43Å; L1551-V1555 PolarHBondContact O-N 2.9Å; L1552-V1555 PolarHBondContact O-N 2.86Å; V1555-R1557 VanDerWaalsContact C-N 3.25Å; V1555-R1557 PolarHBondContact O-N 2.84Å; V1555-K1558 WeakPolarHBondContact O-CB 3.11Å; V1555-K1558 PolarHBondContact O-N 2.88Å; V1555-L1559 HydrophobicContact CG1-CD1 4.1Å; V1555-L1559 WeakPolarHBondContact O-CG 3.28Å; V1555-L1559 PolarHBondContact O-N 2.9Å |
| 1556 | L | 77.1 | Confident | 64.1 | Low | 63 Ų | 63 | 82.7 Ų | 82.7 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 178.3 | -68.2 | 175.8 | 0 | 0 | 0 | 113.2 | I1420 L1552 L1559 S1560 | I1420-L1556 HydrophobicContact CD1-CD2 3.81Å; L1552-L1556 HydrophobicContact CD1-CD1 3.56Å; L1552-L1556 HydrophobicContact CD1-CG 3.81Å; L1552-L1556 HydrophobicContact CG-CD1 4.46Å; L1552-L1556 PolarHBondContact O-N 3.48Å; L1556-L1559 HydrophobicContact CD2-CD1 4.42Å; L1556-S1560 PolarHBondContact O-N 3.27Å; L1556-S1560 PolarHBondContact O-OG 2.99Å |
| 1557 | R | 69.8 | Low | 62.1 | Low | 148 Ų | 148 | 82.3 Ų | 82.3 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -75.5 | -29.5 | 173.9 | -81.4 | -178.4 | -65.7 | 161.6 | 2.4 | 114.1 | R1553 S1554 V1555 S1560 N1561 | R1553-R1557 WeakPolarHBondContact O-CB 3.42Å; R1553-R1557 VanDerWaalsContact O-CG 3.28Å; R1553-R1557 WeakPolarHBondContact O-CG 3.5Å; R1553-R1557 PolarHBondContact O-N 2.73Å; R1553-R1557 PolarHBondContact O-NE 2.84Å; S1554-R1557 PolarHBondContact O-N 3.31Å; V1555-R1557 VanDerWaalsContact C-N 3.25Å; V1555-R1557 PolarHBondContact O-N 2.84Å; R1557-S1560 WeakPolarHBondContact CA-OG 3.31Å; R1557-S1560 PolarHBondContact O-OG 3.21Å; R1557-S1560 VanDerWaalsContact O-OG 3.1Å; R1557-N1561 WeakPolarHBondContact O-CB 3.24Å; R1557-N1561 PolarHBondContact O-N 2.86Å; R1557-N1561 PolarHBondContact O-OD1 3.42Å; R1557-N1561 VanDerWaalsContact O-OD1 3.13Å |
| 1558 | K | 66.4 | Low | 59.9 | Low | 145 Ų | 145 | 87.4 Ų | 87.4 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.2 | -48.5 | 170 | -74.5 | 176.1 | 177.6 | -175.4 | 0 | 109.5 | S1554 V1555 S1560 N1561 T1562 | S1554-K1558 WeakPolarHBondContact O-CG 3.07Å; S1554-K1558 PolarHBondContact O-N 3.25Å; V1555-K1558 WeakPolarHBondContact O-CB 3.11Å; V1555-K1558 PolarHBondContact O-N 2.88Å; K1558-S1560 VanDerWaalsContact C-N 3.28Å; K1558-S1560 PolarHBondContact O-N 2.9Å; K1558-N1561 PolarHBondContact O-N 3.38Å; K1558-N1561 VanDerWaalsContact O-N 3.11Å; K1558-T1562 PolarHBondContact O-N 3.48Å |
| 1559 | L | 59 | Low | 57.5 | Low | 34 Ų | 34 | 92.8 Ų | 92.8 | 18% | 0.178 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62 | -29.5 | 177.7 | -60.1 | 173.7 | 0 | 0 | 0 | 113.5 | I1420 L1422 V1555 L1556 | I1420-L1559 HydrophobicContact CD1-CD1 4.31Å; L1422-L1559 HydrophobicContact CD1-CD2 3.81Å; L1422-L1559 HydrophobicContact CD2-CB 4.23Å; L1422-L1559 HydrophobicContact CD2-CD2 3.92Å; L1422-L1559 HydrophobicContact CG-CD2 3.88Å; V1555-L1559 HydrophobicContact CG1-CD1 4.1Å; V1555-L1559 WeakPolarHBondContact O-CG 3.28Å; V1555-L1559 PolarHBondContact O-N 2.9Å; L1556-L1559 HydrophobicContact CD2-CD1 4.42Å |
| 1560 | S | 54.1 | Low | 54.8 | Low | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12 | 176.1 | 69.1 | 0 | 0 | 0 | 0 | 115 | L1556 R1557 K1558 | L1556-S1560 PolarHBondContact O-N 3.27Å; L1556-S1560 PolarHBondContact O-OG 2.99Å; R1557-S1560 WeakPolarHBondContact CA-OG 3.31Å; R1557-S1560 PolarHBondContact O-OG 3.21Å; R1557-S1560 VanDerWaalsContact O-OG 3.1Å; K1558-S1560 VanDerWaalsContact C-N 3.28Å; K1558-S1560 PolarHBondContact O-N 2.9Å |
| 1561 | N | 43 | Very low | 52.5 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -14.4 | -169.9 | -71.5 | 18.3 | 0 | 0 | 0 | 113.4 | R1557 K1558 T1563 | R1557-N1561 WeakPolarHBondContact O-CB 3.24Å; R1557-N1561 PolarHBondContact O-N 2.86Å; R1557-N1561 PolarHBondContact O-OD1 3.42Å; R1557-N1561 VanDerWaalsContact O-OD1 3.13Å; K1558-N1561 PolarHBondContact O-N 3.38Å; K1558-N1561 VanDerWaalsContact O-N 3.11Å; N1561-T1563 PolarHBondContact O-N 3.17Å |
| 1562 | T | 41.5 | Very low | 50.3 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | 23.4 | 175.9 | 47.2 | 0 | 0 | 0 | 0 | 114 | K1558 | K1558-T1562 PolarHBondContact O-N 3.48Š|
| 1563 | T | 41.2 | Very low | 47.8 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 64% | 0.638 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | 13.7 | -174.9 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | N1561 | N1561-T1563 PolarHBondContact O-N 3.17Š|
| 1564 | V | 34.9 | Very low | 45.6 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 70% | 0.703 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -137.7 | 6 | -171.1 | -161.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1565 | N | 28.7 | Very low | 43.4 | Very low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | | | trans | -120 | -8.4 | -169.5 | -112.6 | 18.9 | 0 | 0 | 0 | 116.7 | N1567 | N1565-N1567 PolarHBondContact O-N 3.18Š|
| 1566 | D | 31.6 | Very low | 40.9 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | | | trans | -94.4 | 72 | 176.2 | -59.1 | -61.6 | 0 | 0 | 0 | 110.3 | | |
| 1567 | N | 29.9 | Very low | 38.6 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 68% | 0.677 | S | S | * | * | | | trans | -162.1 | 77.4 | 162.7 | -107.9 | -41.7 | 0 | 0 | 0 | 110.2 | N1565 | N1565-N1567 PolarHBondContact O-N 3.18Š|
| 1568 | K | 32.7 | Very low | 36.6 | Very low | 198 Ų | 198 | 126.3 Ų | 126.3 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | | | trans | -121.6 | 111.3 | 156.5 | -75.9 | -176.8 | 178.4 | 178.5 | 0 | 106.8 | C1570 | K1568-C1570 PolarHBondContact O-N 3.29Š|
| 1569 | N | 30.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | | | trans | -59.2 | 128.8 | 170.6 | -78.4 | 24 | 0 | 0 | 0 | 109.8 | D1571 | N1569-D1571 VanDerWaalsContact C-N 3.28Å; N1569-D1571 HydrophobicContact CB-CB 4.45Å; N1569-D1571 WeakPolarHBondContact CB-OD2 3.1Å; N1569-D1571 PolarHBondContact ND2-OD2 2.81Å; N1569-D1571 PolarHBondContact O-N 3.15Å |
| 1570 | C | 25.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | | | trans | -80.1 | 80.6 | 151.4 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | K1568 | K1568-C1570 PolarHBondContact O-N 3.29Š|
| 1571 | D | 32.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | | | trans | -99.6 | 74 | 166.5 | -77.3 | -52.3 | 0 | 0 | 0 | 108.8 | N1569 | N1569-D1571 VanDerWaalsContact C-N 3.28Å; N1569-D1571 HydrophobicContact CB-CB 4.45Å; N1569-D1571 WeakPolarHBondContact CB-OD2 3.1Å; N1569-D1571 PolarHBondContact ND2-OD2 2.81Å; N1569-D1571 PolarHBondContact O-N 3.15Å |
| 1572 | D | 35.9 | Very low | 30.9 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | trans | -163.8 | 81.5 | 168.2 | -116.7 | -20.2 | 0 | 0 | 0 | 109.2 | | |
| 1573 | D | 31.8 | Very low | 30.4 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | -150.8 | 97.7 | 164.7 | -135.2 | -23.5 | 0 | 0 | 0 | 110.9 | | |
| 1574 | N | 34.7 | Very low | 30 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -156.8 | 128 | 161 | -113.7 | -62.2 | 0 | 0 | 0 | 111.7 | | |
| 1575 | N | 32 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | trans | 74.6 | 78.6 | 154.7 | -146.3 | 47.5 | 0 | 0 | 0 | 118.3 | | |
| 1576 | M | 26.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 137 Ų | 137 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | | 156.4 | 132.4 | 100 | -76.3 | -112.3 | 98.6 | 0 | 0 | 115.1 | | |
| 1577 | I | 27.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | | | trans | 58.9 | 114.2 | 136.5 | -62.3 | 177.9 | 0 | 0 | 0 | 116.5 | | |
| 1578 | T | 28.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | | | cis | -157.9 | 165 | 39.9 | -22.8 | 0 | 0 | 0 | 0 | 113 | | |
| 1579 | T | 29.4 | Very low | 29.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | | | trans | 54.9 | 76.3 | 157.1 | 47.9 | 0 | 0 | 0 | 0 | 118 | | |
| 1580 | S | 22 | Very low | 29.5 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | trans | -96.7 | -178.9 | 138.9 | 61 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1581 | T | 27.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 73.3 | 146 | 172.6 | 70.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1582 | S | 24.3 | Very low | 29.6 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | cis | -169.2 | -149.2 | -18.6 | 58.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1583 | V | 31.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | | | trans | 96.2 | 82.9 | -177.9 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1584 | T | 32.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | | 76 | 135.3 | 68.8 | 64.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1585 | D | 27.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | cis | -170.2 | 168.8 | -11.8 | -166.3 | 14.9 | 0 | 0 | 0 | 111.4 | | |
| 1586 | R | 28.1 | Very low | 28.7 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | | | trans | 62.4 | 110.8 | 144.3 | -96.4 | 174.8 | 175.9 | 99.9 | -1.7 | 124.3 | | |
| 1587 | T | 26.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | | 63.5 | 157.7 | 122.4 | 57.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1588 | T | 27.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | cis | -162.8 | 177.8 | 29.8 | -26.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1589 | T | 32.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | 71.7 | 145.6 | 158 | 52.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1590 | T | 35.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | | | cis | -158.7 | 133.5 | 3 | 2.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1591 | T | 30.7 | Very low | 29 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | | | trans | 40.4 | 123.8 | 136.1 | 58.4 | 0 | 0 | 0 | 0 | 125.8 | | |
| 1592 | T | 29.2 | Very low | 29.1 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | | 60.8 | 153.6 | 127.6 | 63.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1593 | T | 29 | Very low | 29.2 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | cis | -173.2 | 160.3 | -14.3 | -86 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1594 | T | 30.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | trans | 67.4 | 111.9 | 162 | 40.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1595 | A | 27.2 | Very low | 29.1 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | | | | 81.5 | 160.1 | 111.7 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1596 | Y | 28.7 | Very low | 29.1 | Very low | 217 Ų | 217 | 125.1 Ų | 125.1 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | | | trans | 81 | 90.5 | 166.5 | -65.3 | -75.4 | 0 | 0 | 0 | 122.2 | | |
| 1597 | T | 27.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | | | | 28.9 | 132.9 | 123.1 | 56 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1598 | S | 27.2 | Very low | 29.2 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | 87.8 | 113.3 | 135.3 | -64.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1599 | T | 29.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | 55.9 | 142.7 | 134.8 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1600 | V | 29.3 | Very low | 29 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | | | | -165.5 | 165.9 | 76 | 154.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1601 | T | 27.7 | Very low | 28.5 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | trans | -47.2 | 170.1 | 176.2 | 54 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1602 | T | 29.4 | Very low | 28.5 | Very low | 112 Ų | 112 | 124 Ų | 124 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | cis | -159.8 | 158.1 | 45.2 | 23 | 0 | 0 | 0 | 0 | 116 | | |
| 1603 | D | 26.6 | Very low | 28.5 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 32 | 135.6 | 137.8 | -44.3 | -22.8 | 0 | 0 | 0 | 123 | | |
| 1604 | T | 31.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | | 178.6 | 175.4 | 102.2 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1605 | T | 29.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -102 | 168 | -158.2 | 59.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1606 | T | 28.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | trans | 71.9 | 113.7 | 144.7 | 42 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1607 | I | 27.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | | 80.1 | 148.1 | 127.1 | -61.8 | 167.7 | 0 | 0 | 0 | 119.6 | | |
| 1608 | T | 29 | Very low | 29.5 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 72.2 | 100.5 | 164.9 | 33.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1609 | T | 28.8 | Very low | 29.7 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | | 51.9 | 123.2 | 120.9 | 58.3 | 0 | 0 | 0 | 0 | 123 | | |
| 1610 | S | 26.7 | Very low | 30 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | 71.9 | 112.5 | 131.1 | 66.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1611 | T | 25.7 | Very low | 30.3 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 54.7 | 117 | 132.9 | 59.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1612 | T | 29.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | | | | -175.1 | 150.1 | 106.7 | 22.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1613 | T | 29.3 | Very low | 31 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | | | trans | -93.7 | 151.3 | 166.9 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1614 | P | 33 | Very low | 31.4 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | | | | -152.9 | 161.9 | 84.2 | 40.5 | -22.3 | 0 | 0 | 0 | 117.2 | | |
| 1615 | S | 31 | Very low | 31.5 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -73.1 | 169.6 | 157.9 | -43.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1616 | P | 38.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | | | | -160.3 | 147.2 | 100 | 38.3 | -18.1 | 0 | 0 | 0 | 119.1 | | |
| 1617 | T | 28.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | | | trans | 69.4 | 166.7 | 139.2 | 65.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1618 | K | 32.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | cis | -160.6 | 143.1 | 11.7 | -141 | 148.7 | -168.6 | 176.4 | 0 | 114.1 | | |
| 1619 | T | 30.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | | | trans | 60.9 | 157.9 | 146 | 46.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1620 | N | 36 | Very low | 32.4 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | | | cis | -159.8 | 171.3 | 13.7 | -131.2 | 22 | 0 | 0 | 0 | 108.9 | | |
| 1621 | D | 35.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | | | cis | -170.4 | 177.5 | -5.7 | -149 | -10.6 | 0 | 0 | 0 | 112 | | |
| 1622 | Q | 38.9 | Very low | 32.9 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | trans | 60.9 | 138.3 | 145.7 | -56.5 | -122.6 | 7 | 0 | 0 | 122.1 | | |
| 1623 | N | 32.7 | Very low | 33 | Very low | 113 Ų | 113 | 131 Ų | 131 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | | | cis | -167 | 166.3 | -17.4 | -137 | -28.6 | 0 | 0 | 0 | 114.6 | | |
| 1624 | T | 35.6 | Very low | 33 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | trans | 65.8 | 141 | 153.9 | 52.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1625 | T | 34 | Very low | 32.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | cis | -154.2 | 137.8 | 6.6 | -14 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1626 | S | 33.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | 53.5 | 145.3 | 145.8 | 54.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1627 | K | 32.6 | Very low | 32.2 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | | | cis | -165.7 | 157.5 | 1.2 | -105.7 | 168.1 | 179.7 | 177.1 | 0 | 106 | | |
| 1628 | S | 31.8 | Very low | 32 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | cis | -169.2 | 167.1 | -1.1 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1629 | T | 32.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | 66.2 | 134.1 | 157.7 | 64.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1630 | F | 31.4 | Very low | 31.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 77% | 0.768 | 73% | 0.73 | S | S | * | * | | | cis | -159.5 | 143.2 | -6 | -138.8 | -100.7 | 0 | 0 | 0 | 111.7 | | |
| 1631 | D | 30.6 | Very low | 31.1 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | trans | 55.8 | 177.8 | 158.7 | -74.4 | -6.5 | 0 | 0 | 0 | 124.1 | | |
| 1632 | K | 31.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | | | trans | -133.2 | 167.8 | -157.8 | -50.9 | 169.2 | -179.1 | 174.1 | 0 | 111.8 | | |
| 1633 | V | 31.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | 163.3 | 148.6 | 119.8 | 158.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1634 | D | 30.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -86.9 | 170.9 | -172.6 | -49 | -89.8 | 0 | 0 | 0 | 115.5 | | |
| 1635 | S | 28.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | 84.1 | 107.9 | 147.7 | -57.4 | 0 | 0 | 0 | 0 | 122 | | |
| 1636 | M | 27.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 144 Ų | 144 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | | 86.6 | 127.1 | 124.2 | -147.3 | 75.5 | 95.3 | 0 | 0 | 122.2 | | |
| 1637 | E | 29.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | trans | 78.9 | 132.6 | 150 | -96.4 | -179 | -167.6 | 0 | 0 | 124.8 | | |
| 1638 | M | 26.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | 66.9 | 116 | 150 | -75.2 | -162.6 | -77.4 | 0 | 0 | 124.1 | | |
| 1639 | L | 26.1 | Very low | 29.8 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | 91.6 | 135.2 | 134.3 | -97.5 | 70.9 | 0 | 0 | 0 | 122.8 | | |
| 1640 | D | 27.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | | | trans | 80.5 | 105.7 | 145.6 | -66.9 | -5 | 0 | 0 | 0 | 125.7 | | |
| 1641 | I | 27.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 148 Ų | 148 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | | 51.4 | 111.6 | 126.1 | -42.5 | 168.8 | 0 | 0 | 0 | 118.4 | | |
| 1642 | I | 30.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | | -173.9 | 133.5 | 112.3 | -93.6 | 168.3 | 0 | 0 | 0 | 109.1 | | |
| 1643 | Q | 31.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -93.1 | 162.1 | 166.3 | -70.6 | -172.2 | -17.1 | 0 | 0 | 110.4 | | |
| 1644 | P | 38.4 | Very low | 29.1 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | | -139.7 | 162.6 | 106.4 | 37.5 | -26.1 | 0 | 0 | 0 | 116.2 | | |
| 1645 | L | 29.9 | Very low | 29 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -43 | 157.6 | 174.2 | -52.4 | 98.6 | 0 | 0 | 0 | 116.8 | | |
| 1646 | V | 29.9 | Very low | 29.1 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | | 174.5 | 130.2 | 109.7 | 149.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1647 | V | 30.6 | Very low | 29.4 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | 59.9 | 114.9 | 162 | 167 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1648 | D | 26.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | | 71.1 | 81.1 | 59.5 | -74.4 | -46.5 | 0 | 0 | 0 | 116.3 | | |
| 1649 | L | 29.7 | Very low | 29.7 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -161.8 | 163.3 | 140.1 | -132.8 | 70 | 0 | 0 | 0 | 112.3 | | |
| 1650 | L | 29.6 | Very low | 29.9 | Very low | 159 Ų | 159 | 156.2 Ų | 156.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 86.9 | 17.1 | 170.4 | -72.4 | 163.9 | 0 | 0 | 0 | 121.6 | | |
| 1651 | I | 28.8 | Very low | 30.1 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 94% | 0.938 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -115 | 63.5 | 142.1 | -52.7 | -175.5 | 0 | 0 | 0 | 109.1 | | |
| 1652 | A | 27 | Very low | 30.2 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | trans | -155.7 | 62.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1653 | R | 27.5 | Very low | 30.2 | Very low | 248 Ų | 248 | 149.7 Ų | 149.7 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -143.8 | 16.3 | 161.7 | -137.6 | 171.2 | -177.1 | 148.1 | 1.5 | 117.9 | | |
| 1654 | L | 29.3 | Very low | 30.2 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -134.9 | 63.4 | 170.1 | -93.4 | 174.3 | 0 | 0 | 0 | 112.8 | | |
| 1655 | T | 28.8 | Very low | 29.8 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | 179.4 | 96 | 149.5 | 19.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1656 | R | 30.3 | Very low | 29.6 | Very low | 208 Ų | 208 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -158.7 | 63.9 | 150.7 | -144.8 | 173.7 | -77 | -167.6 | 0.2 | 117.1 | | |
| 1657 | H | 32.8 | Very low | 29.6 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | trans | -149.3 | 110.7 | 138.7 | -101.4 | -76.7 | 0 | 0 | 0 | 105 | | |
| 1658 | R | 31.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | | | cis | 58.8 | 124.5 | 30.5 | -78.4 | -164.7 | 175.7 | -164.1 | 2.3 | 112.7 | | |
| 1659 | R | 30.5 | Very low | 29.8 | Very low | 197 Ų | 197 | 151 Ų | 151 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | cis | -162.7 | -174 | -4.8 | -135.9 | 173.9 | -168.3 | -174.2 | -0.1 | 109.7 | | |
| 1660 | S | 31.2 | Very low | 29.8 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | 78.6 | 135.4 | 174.1 | -52.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1661 | A | 31.2 | Very low | 29.8 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | cis | -136.8 | 126.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1662 | S | 29.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -141.2 | 132.9 | 145.5 | 52.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1663 | G | 30.4 | Very low | 29.9 | Very low | 55 Ų | 55 | 150.2 Ų | 150.2 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | | | trans | -128 | 167 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1664 | H | 31.7 | Very low | 30.1 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | | | trans | 66.4 | 81.6 | -161.5 | -47.3 | -72.4 | 0 | 0 | 0 | 109.9 | | |
| 1665 | T | 30.4 | Very low | 30 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | | | cis | 65.9 | 103.6 | 38.2 | -35.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1666 | L | 26 | Very low | 30.1 | Very low | 182 Ų | 182 | 142 Ų | 142 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | | | trans | -100.4 | 123.1 | 161.2 | -77.1 | 167.3 | 0 | 0 | 0 | 108.9 | | |
| 1667 | A | 30 | Very low | 30 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | trans | -160.9 | 115 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1668 | S | 29.9 | Very low | 30 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 77.3 | 92.1 | 52.8 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1669 | N | 30.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | trans | -102.7 | 146.8 | 152.5 | -84.4 | 2.7 | 0 | 0 | 0 | 108.4 | | |
| 1670 | S | 29.3 | Very low | 29.9 | Very low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -155.4 | 123.9 | -177.1 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1671 | E | 29.4 | Very low | 29.7 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -126.2 | 117.9 | 154.3 | -67.7 | 179.5 | 129.1 | 0 | 0 | 103.1 | | |
| 1672 | F | 29.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | cis | 60.8 | 133.5 | 39.4 | -89.6 | -91.3 | 0 | 0 | 0 | 112.6 | | |
| 1673 | S | 28.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | cis | -132.4 | -171.2 | 14.9 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1674 | S | 31.4 | Very low | 29.2 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | cis | -160.9 | 148.6 | 11.4 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1675 | E | 29 | Very low | 29.1 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | 46.8 | 140.6 | 132.1 | -63.9 | 157.3 | -142.4 | 0 | 0 | 120.6 | | |
| 1676 | T | 29.7 | Very low | 29 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | cis | -170.8 | 166.8 | 1 | 19.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1677 | S | 29 | Very low | 29.7 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | | | cis | -170.2 | 173.8 | -14.1 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1678 | T | 31.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | 59.4 | 150 | 154.5 | 49.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1679 | S | 30.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -167.4 | 151.4 | -33.8 | -158.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1680 | S | 30.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 61.9 | 130.4 | 149.8 | -52.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1681 | T | 26.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -102.1 | 129.4 | 168.9 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1682 | V | 29 | Very low | 30.9 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -142.9 | 131.7 | 165.8 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1683 | L | 26.4 | Very low | 31 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -93.2 | 145.2 | 159.5 | -65.4 | 162.6 | 0 | 0 | 0 | 106.7 | | |
| 1684 | T | 26.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | | -172.8 | 163.6 | 70.6 | 29.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1685 | V | 28.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 71.7 | 118.9 | 147.2 | 167.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1686 | T | 28.7 | Very low | 31.3 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 138.8 | 159.5 | 51 | 0 | 0 | 0 | 0 | 112 | | |
| 1687 | P | 39.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 153.4 | 158.9 | 33.8 | -30.4 | 0 | 0 | 0 | 112.3 | | |
| 1688 | K | 30.7 | Very low | 31.2 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 146.7 | -170 | -55.2 | 157.2 | -176.8 | 172.1 | 0 | 112.9 | | |
| 1689 | F | 31.1 | Very low | 31.1 | Very low | 213 Ų | 213 | 137.5 Ų | 137.5 | 93% | 0.934 | 78% | 0.775 | S | S | * | * | | | | -160.7 | 164.9 | 114.7 | -104.7 | -73.1 | 0 | 0 | 0 | 110.7 | | |
| 1690 | L | 30.5 | Very low | 31 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | -127.5 | 176.9 | -168.4 | -74.9 | 151 | 0 | 0 | 0 | 109.1 | | |
| 1691 | P | 39.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | | -126.4 | -142.3 | -51.4 | 40.3 | -21.9 | 0 | 0 | 0 | 107.8 | | |
| 1692 | P | 42.6 | Very low | 31 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | cis | -137.3 | 179 | -18.1 | 39.7 | -20.5 | 0 | 0 | 0 | 117.2 | | |
| 1693 | V | 32.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | trans | 86.2 | 125.8 | 139.6 | 148.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1694 | N | 32.7 | Very low | 31.3 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 70.4 | 93.8 | 153.8 | -70.1 | -4 | 0 | 0 | 0 | 124 | | |
| 1695 | N | 29.2 | Very low | 31.4 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | | 20.6 | 123 | 118.3 | -57.5 | -4.7 | 0 | 0 | 0 | 120 | | |
| 1696 | K | 32.9 | Very low | 31.3 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | | -173.2 | 149.9 | 107.1 | -101.5 | 167.8 | -177 | -179.8 | 0 | 115.2 | | |
| 1697 | T | 30.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -30.2 | 156.3 | 153 | 48.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1698 | S | 27.9 | Very low | 31 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | cis | -175.1 | 166.5 | -4.8 | -89.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1699 | Q | 28.6 | Very low | 30.9 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | trans | 66.8 | 160.2 | 159.1 | -72 | 155.7 | -85.6 | 0 | 0 | 116.1 | | |
| 1700 | E | 27 | Very low | 31.1 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | | | cis | -153.5 | -179.2 | 1.2 | -140 | 145.6 | -133.7 | 0 | 0 | 113.9 | | |
| 1701 | S | 28.1 | Very low | 31.2 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | 5 | 137.3 | 159.2 | 49.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1702 | S | 29.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | cis | 99 | 113.8 | 27.7 | 77.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1703 | Y | 31.3 | Very low | 30.3 | Very low | 217 Ų | 217 | 135.4 Ų | 135.4 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | | | trans | -144.7 | 125.7 | 165.2 | -89.3 | -105.4 | 0 | 0 | 0 | 106.3 | | |
| 1704 | T | 30.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | | 54.6 | 141.5 | 78.9 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1705 | S | 28.5 | Very low | 30.2 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | cis | -167.3 | 171.5 | -2.3 | -103 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1706 | Q | 28.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | | | cis | 169.4 | -179.2 | -3.4 | -177.1 | 175.8 | -21.4 | 0 | 0 | 106 | | |
| 1707 | E | 30.6 | Very low | 30.5 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | | | trans | 87.2 | 119 | 163.5 | -49.6 | -138.4 | 105.9 | 0 | 0 | 118.6 | | |
| 1708 | Q | 30.8 | Very low | 30.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | | | | 88 | 149.8 | 88.7 | -71.5 | -154.7 | 55.7 | 0 | 0 | 114.7 | | |
| 1709 | S | 28.6 | Very low | 31.2 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | | | cis | -171.7 | 173.7 | -20.5 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1710 | T | 34 | Very low | 31.6 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | | | trans | 69 | 157.4 | 166.3 | 70.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1711 | D | 32.5 | Very low | 32 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | | | cis | -155.7 | 173.2 | -15.9 | -121.6 | -36.6 | 0 | 0 | 0 | 116.9 | | |
| 1712 | H | 30.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | | | trans | -34.3 | 166.3 | 176.2 | -79.6 | 74.5 | 0 | 0 | 0 | 125.3 | | |
| 1713 | H | 32.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | | | trans | 78.5 | 154.8 | 143.7 | -77 | -35.6 | 0 | 0 | 0 | 121.3 | | |
| 1714 | H | 32 | Very low | 33.1 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | | | cis | -170.6 | 124.8 | -33.8 | -134.5 | 36 | 0 | 0 | 0 | 112.4 | | |
| 1715 | G | 31.9 | Very low | 33.4 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | | | trans | 65.3 | -179.2 | 156 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1716 | N | 31.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | | | cis | -167.7 | 157.9 | -29.9 | -158.6 | 0.1 | 0 | 0 | 0 | 111.2 | | |
| 1717 | H | 35.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 65% | 0.648 | 68% | 0.677 | S | S | * | * | | | trans | 65.9 | 157.2 | 157.9 | -70.1 | -13.3 | 0 | 0 | 0 | 120 | | |
| 1718 | Q | 37.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 62% | 0.617 | 68% | 0.677 | S | S | * | * | | | cis | -170 | -176.8 | -28.9 | -116.5 | -178.9 | 16.7 | 0 | 0 | 110.3 | | |
| 1719 | H | 35.7 | Very low | 34.6 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | | | trans | 77.7 | 147.6 | 152.9 | -71.3 | -29.9 | 0 | 0 | 0 | 120.3 | | |
| 1720 | H | 37.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | | | cis | -171.4 | 161.9 | -16.8 | -126 | -10.3 | 0 | 0 | 0 | 116.2 | | |
| 1721 | Q | 35.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 65% | 0.645 | 68% | 0.677 | S | S | * | * | | | trans | 73 | 164.8 | 143.3 | -77.9 | 177.4 | 35.5 | 0 | 0 | 120.5 | | |
| 1722 | H | 37.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | | | cis | -130.2 | -160.2 | 14.7 | -154.3 | 74 | 0 | 0 | 0 | 114.7 | | |
| 1723 | R | 35.2 | Very low | 34.9 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | | | trans | -151.8 | 160.5 | -170.7 | 84.3 | -49.9 | -153 | -151.1 | 2.3 | 117 | | |
| 1724 | H | 39 | Very low | 35.1 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | | | trans | -133.2 | 115.3 | 159.2 | -87.1 | -54.6 | 0 | 0 | 0 | 108.5 | | |
| 1725 | H | 36.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 61% | 0.611 | 67% | 0.667 | S | S | * | * | | | | 77 | 124.4 | 88.8 | -81.2 | 1.6 | 0 | 0 | 0 | 113 | | |
| 1726 | H | 36.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | | | cis | -139.9 | -179.7 | 13.7 | -90.5 | -19.5 | 0 | 0 | 0 | 108.9 | | |
| 1727 | R | 34.8 | Very low | 35 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | | | cis | -171.8 | 168.9 | -15.5 | -99.7 | 169.9 | 141.7 | 144.5 | -19 | 103.8 | | |
| 1728 | H | 36.2 | Very low | 34.5 | Very low | 147 Ų | 147 | 145 Ų | 145 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | | | cis | -168.2 | 169 | -8.7 | -103.4 | -27.8 | 0 | 0 | 0 | 104.7 | | |
| 1729 | H | 35 | Very low | 33.9 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 61% | 0.611 | 67% | 0.673 | S | S | * | * | | | cis | 179.3 | 150.3 | -24.2 | 168.1 | 52.3 | 0 | 0 | 0 | 107.5 | | |
| 1730 | R | 33.6 | Very low | 33.4 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 75% | 0.751 | 68% | 0.683 | S | S | * | * | | | trans | 78.1 | 141.8 | -179.4 | -58.3 | 175.9 | -176.4 | 168.4 | -3.1 | 114.2 | | |
| 1731 | N | 32.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | | | cis | -161.9 | 167 | 0.2 | -103.6 | -1.3 | 0 | 0 | 0 | 107.7 | | |
| 1732 | L | 34 | Very low | 32.5 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | | | cis | -153.6 | 173.9 | 0.4 | -153.1 | 74.1 | 0 | 0 | 0 | 110.7 | | |
| 1733 | S | 33.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 145 Ų | 145 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | | | trans | -15.6 | 163.9 | 147.2 | -64.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1734 | Q | 36.2 | Very low | 32.6 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | | | cis | -179.1 | -177.7 | -2.5 | -99.3 | 168.2 | -42 | 0 | 0 | 106.8 | | |
| 1735 | L | 32.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 62% | 0.618 | 71% | 0.705 | S | S | * | * | | | cis | -162.6 | 159.4 | -4.8 | -116.4 | 163.9 | 0 | 0 | 0 | 110.2 | | |
| 1736 | Q | 31.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 141 Ų | 141 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | trans | 56 | 143.6 | 143.8 | -86.8 | 162.9 | -8.7 | 0 | 0 | 126.1 | | |
| 1737 | Q | 30.9 | Very low | 31.5 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | trans | 62.8 | 130.2 | 140 | -66.6 | 159.2 | 9.6 | 0 | 0 | 119 | | |
| 1738 | K | 24.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | | | | 73.2 | 130.6 | 55.3 | -87.3 | -165 | 172.8 | -174.9 | 0 | 115 | | |
| 1739 | C | 24.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 72% | 0.716 | 72% | 0.724 | S | S | * | * | | | trans | 81.5 | 137.2 | 166.7 | -57.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1740 | Y | 25.4 | Very low | 31.2 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | | | trans | 64.1 | 126.4 | 171.5 | -61.6 | -72.3 | 0 | 0 | 0 | 116 | | |
| 1741 | C | 22.7 | Very low | 31 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | | | cis | 66.1 | 139.7 | 18.4 | -62.3 | 0 | 0 | 0 | 0 | 117 | | |
| 1742 | S | 29.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | trans | 77.9 | 127.1 | -177 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1743 | N | 37.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | cis | 62.6 | 135.5 | 37.4 | -57.5 | -12.9 | 0 | 0 | 0 | 113 | | |
| 1744 | P | 37.7 | Very low | 30.5 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | | -118.9 | 148.1 | 88.2 | -1.6 | 23.5 | 0 | 0 | 0 | 112.2 | | |
| 1745 | L | 25.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 129 Ų | 129 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | | 52.5 | 127.3 | 74.9 | -88.8 | 69.5 | 0 | 0 | 0 | 111.3 | | |
| 1746 | T | 32.7 | Very low | 30.6 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | cis | -158.3 | 164.4 | 48.7 | 48 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1747 | T | 32.1 | Very low | 30.2 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | cis | -177.8 | 164.5 | -6.7 | 29 | 0 | 0 | 0 | 0 | 104.9 | | |
| 1748 | L | 31 | Very low | 30.1 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | cis | -155.2 | 171.2 | -1 | -111.4 | 173.3 | 0 | 0 | 0 | 104.1 | | |
| 1749 | S | 32.8 | Very low | 30 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | cis | -135.5 | -136.7 | 0.2 | 46.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1750 | S | 34.3 | Very low | 30.2 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | | | cis | -174.1 | 145.2 | -12.2 | 25.5 | 0 | 0 | 0 | 0 | 106 | | |
| 1751 | L | 30.2 | Very low | 30.2 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | cis | -158.1 | 148.1 | -21 | -86.1 | 178.1 | 0 | 0 | 0 | 103.8 | | |
| 1752 | S | 30.1 | Very low | 30.8 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | | | cis | -162.5 | -178.6 | -8.8 | 55.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1753 | S | 31.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | trans | 64.1 | 124.2 | 161.8 | 32.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1754 | S | 28.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | cis | 73.6 | 154.5 | 29.4 | -38.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1755 | P | 40.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | | -134.9 | -144.7 | -60.6 | 40.8 | -24.1 | 0 | 0 | 0 | 110.7 | | |
| 1756 | S | 28.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | 73.3 | 137.9 | 172.2 | 8.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1757 | S | 23.5 | Very low | 29.5 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | cis | 87.8 | 149.1 | 40.6 | 85.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1758 | I | 29.4 | Very low | 29.4 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | trans | 72 | 103.5 | 172.5 | -59.7 | 166.5 | 0 | 0 | 0 | 111.2 | | |
| 1759 | T | 22.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | | | | 63.8 | 149.7 | 76.3 | 64.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1760 | T | 27.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | | | trans | 64.3 | 103.2 | 172 | 54.1 | 0 | 0 | 0 | 0 | 119 | | |
| 1761 | N | 26.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 121 Ų | 121 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | | 2.2 | 155.4 | 115.7 | -64.3 | 6.9 | 0 | 0 | 0 | 117.4 | | |
| 1762 | P | 35.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | | | cis | -138.2 | -163.3 | 26.9 | 33.6 | -9.2 | 0 | 0 | 0 | 114.1 | | |
| 1763 | T | 26.1 | Very low | 29 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | | | trans | 49.1 | 145.4 | 147.8 | 48 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1764 | E | 28.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | cis | -153.9 | -171.9 | 13.1 | -139.5 | 139.1 | -132.9 | 0 | 0 | 112.5 | | |
| 1765 | S | 25.1 | Very low | 29.4 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | | | trans | -69.9 | 175.9 | 172.6 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1766 | E | 28.7 | Very low | 28.9 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | | | trans | 68.6 | 123.3 | 156.9 | -74.4 | 148.3 | -118.1 | 0 | 0 | 117 | | |
| 1767 | S | 26 | Very low | 29 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | | | | 85.6 | 142.5 | 59.5 | 94.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1768 | H | 30.5 | Very low | 29.3 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | | | trans | 64.7 | 157.7 | -177.9 | -65.3 | -78.9 | 0 | 0 | 0 | 117.7 | | |
| 1769 | V | 27.2 | Very low | 29.2 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | | | | 177.9 | 128.8 | -52.1 | 137.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1770 | T | 29.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | | | trans | 63.2 | 166.9 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1771 | T | 29.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | | | cis | -145 | 123.3 | 19 | -45.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1772 | I | 32 | Very low | 29.7 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 88% | 0.882 | 66% | 0.664 | S | S | * | * | | | trans | -151 | 129.4 | 156.6 | -58 | -176.3 | 0 | 0 | 0 | 107.6 | | |
| 1773 | N | 31.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 65% | 0.647 | 67% | 0.666 | S | S | * | * | | | cis | -161.9 | 161.6 | -31.4 | -142.9 | -8 | 0 | 0 | 0 | 111 | | |
| 1774 | I | 37.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | | | trans | 56.7 | 101.1 | 157.6 | -62.4 | 169.9 | 0 | 0 | 0 | 118.5 | | |
| 1775 | N | 30.9 | Very low | 30 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | | | trans | 62 | 143.6 | 138.7 | -56.2 | 45 | 0 | 0 | 0 | 121.3 | | |
| 1776 | D | 31.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | | | cis | -167.4 | 150 | -20.4 | -106.7 | -36 | 0 | 0 | 0 | 112.3 | | |
| 1777 | I | 30.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 126 Ų | 126 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | | | trans | 67.8 | 116.9 | 143 | -65.8 | 169.8 | 0 | 0 | 0 | 122.3 | | |
| 1778 | Q | 29.2 | Very low | 31.3 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | | | trans | 74 | 128.8 | 145.7 | -76.2 | 170.3 | -5.4 | 0 | 0 | 125.1 | | |
| 1779 | N | 29 | Very low | 31.3 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | | | trans | 59.2 | 169.4 | 144.8 | -61.2 | 13.3 | 0 | 0 | 0 | 119.8 | E1803 | N1779-E1803 WeakPolarHBondContact CB-OE2 3.23Š|
| 1780 | M | 26.4 | Very low | 31.7 | Very low | 85 Ų | 85 | 127 Ų | 127 | 42% | 0.419 | 67% | 0.665 | S | S | . | * | | | trans | 133.1 | 96 | 143.5 | -81.9 | 33.7 | -145.4 | 0 | 0 | 123.2 | K1801 V1802 E1803 | M1780-K1801 PolarHBondContact O-NZ 3.24Å; M1780-V1802 CarbonylContact C-O 3.37Å; M1780-V1802 WeakPolarHBondContact CB-O 3.37Å; M1780-V1802 CarbonylContact O-C 2.77Å; M1780-V1802 VanDerWaalsContact O-CA 3.23Å; M1780-V1802 WeakPolarHBondContact O-CA 3.42Å; M1780-V1802 WeakPolarHBondContact O-CB 3.13Å; M1780-V1802 WeakPolarHBondContact O-CG1 3.31Å; M1780-E1803 VanDerWaalsContact C-CD 3.47Å; M1780-E1803 WeakPolarHBondContact CA-OE2 3.33Å; M1780-E1803 HydrophobicContact CB-CB 3.64Å; M1780-E1803 HydrophobicContact CE-CB 3.86Å; M1780-E1803 HydrophobicContact CG-CB 3.58Å; M1780-E1803 PolarHBondContact N-OE2 3.37Å; M1780-E1803 PolarHBondContact O-N 3.4Å; M1780-E1803 HydrophobicContact SD-CB 3.86Å; M1780-E1803 HydrophobicContact SD-CG 4.4Å |
| 1781 | N | 28.2 | Very low | 32 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 46% | 0.46 | 67% | 0.669 | S | S | . | * | | | trans | -57.2 | -56.2 | 167.8 | 128.1 | 104.7 | 0 | 0 | 0 | 134.4 | V1802 E1803 Q1804 | N1781-V1802 VanDerWaalsContact C-CB 3.41Å; N1781-V1802 VanDerWaalsContact CA-C 3.43Å; N1781-V1802 VanDerWaalsContact CA-CA 3.47Å; N1781-V1802 VanDerWaalsContact CA-CG1 3.41Å; N1781-V1802 HydrophobicContact CB-CB 3.96Å; N1781-V1802 HydrophobicContact CB-CG1 3.34Å; N1781-V1802 HydrophobicContact CB-CG2 4.3Å; N1781-V1802 WeakPolarHBondContact O-CA 3.47Å; N1781-V1802 VanDerWaalsContact O-CB 3.22Å; N1781-V1802 WeakPolarHBondContact O-CB 3.39Å; N1781-V1802 WeakPolarHBondContact O-CG2 3.39Å; N1781-E1803 WeakPolarHBondContact CA-OE1 3.04Å; N1781-E1803 HydrophobicContact CB-CG 4.43Å; N1781-E1803 WeakPolarHBondContact CB-OE1 3.4Å; N1781-E1803 PolarHBondContact N-OE1 2.93Å; N1781-E1803 PolarHBondContact ND2-OE1 3.33Å; N1781-Q1804 PolarHBondContact ND2-OE1 2.78Å |
| 1782 | N | 30.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | | | trans | 175.5 | 150.8 | 158.2 | -91.4 | -42.9 | 0 | 0 | 0 | 117.9 | K1801 E1803 | N1782-K1801 PolarHBondContact OD1-O 3.32Å; N1782-E1803 CarbonylContact C-O 3.41Å; N1782-E1803 CarbonylContact O-C 3.57Å |
| 1783 | N | 30 | Very low | 32.2 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | | | trans | 167.2 | 136.9 | 136.6 | -92.6 | 11.3 | 0 | 0 | 0 | 122.5 | | |
| 1784 | D | 33.8 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | | | trans | 72.7 | 102.5 | 137.3 | -62.3 | -12.4 | 0 | 0 | 0 | 130.9 | | |
| 1785 | D | 34.5 | Very low | 32 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | | | | 101.2 | 134.8 | 111.8 | -114.6 | -16 | 0 | 0 | 0 | 129.7 | | |
| 1786 | K | 33.6 | Very low | 32.2 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | | | trans | 61.9 | 109.3 | 149.1 | -78.9 | 147.8 | -168.7 | 154 | 0 | 126.5 | | |
| 1787 | N | 34 | Very low | 32.1 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | | | | 158.5 | 154.9 | 103.7 | -84.9 | -36.4 | 0 | 0 | 0 | 118 | | |
| 1788 | N | 37.8 | Very low | 32.1 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | | | trans | 67.8 | 106.8 | 156.5 | -68.3 | -1.6 | 0 | 0 | 0 | 124.4 | | |
| 1789 | E | 32.3 | Very low | 32.1 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 84% | 0.841 | 67% | 0.668 | S | S | * | * | | | trans | 50.6 | 147.8 | 138 | -60.5 | -135.6 | 97.8 | 0 | 0 | 125.1 | | |
| 1790 | T | 34 | Very low | 32 | Very low | 63 Ų | 63 | 130.7 Ų | 130.7 | 39% | 0.387 | 68% | 0.677 | S | S | . | * | | | trans | -116.1 | 160.9 | -168.9 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | R1792 | T1790-R1792 PolarHBondContact OG1-NE 2.68Š|
| 1791 | P | 36.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | | | | -138.9 | 155.4 | 108.7 | 38 | -28.7 | 0 | 0 | 0 | 114.4 | | |
| 1792 | R | 33.2 | Very low | 32.1 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | S | Bend | cis | -177.2 | 140.5 | -38.2 | -114.6 | 173.4 | -163.4 | -170.5 | 7.7 | 105.2 | T1790 | T1790-R1792 PolarHBondContact OG1-NE 2.68Š|
| 1793 | I | 31.2 | Very low | 32 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | S | Bend | cis | -133 | 101.4 | 16.7 | -55.2 | 175.4 | 0 | 0 | 0 | 110.3 | | |
| 1794 | K | 31 | Very low | 32 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | | | trans | 33.6 | 109 | 151.4 | -57 | -168.6 | 175.4 | -166.3 | 0 | 118.9 | | |
| 1795 | S | 34.7 | Very low | 31.7 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | | | | 74.2 | 145.7 | 56.9 | 81.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1796 | E | 34.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | | | cis | 152.5 | 140.4 | -27.1 | -96.1 | 174 | 133.2 | 0 | 0 | 109.9 | | |
| 1797 | I | 29.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | | | trans | 62.8 | 132.7 | 131.1 | -60.3 | 171.2 | 0 | 0 | 0 | 122.3 | | |
| 1798 | H | 30.1 | Very low | 31.5 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 80% | 0.801 | 65% | 0.654 | S | S | * | * | | | trans | 62.2 | 173.5 | 156.9 | -72.7 | -37.8 | 0 | 0 | 0 | 121.4 | | |
| 1799 | S | 28.7 | Very low | 31.5 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | | | | 175.5 | 124.7 | -53.4 | -87.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1800 | V | 26.8 | Very low | 31.7 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | | | trans | 66 | 158.1 | 154 | -172.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1801 | K | 28.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | | | trans | 87.6 | 132.1 | 158.6 | -120.6 | -73.9 | 162.5 | -164.2 | 0 | 122.7 | M1780 N1782 | M1780-K1801 PolarHBondContact O-NZ 3.24Å; N1782-K1801 PolarHBondContact OD1-O 3.32Å |
| 1802 | V | 28.3 | Very low | 31.8 | Very low | 59 Ų | 59 | 126.7 Ų | 126.7 | 36% | 0.358 | 65% | 0.65 | S | S | . | * | | | | 162.3 | 0 | -50.9 | 156 | 0 | 0 | 0 | 0 | 109.5 | M1780 N1781 | M1780-V1802 CarbonylContact C-O 3.37Å; M1780-V1802 WeakPolarHBondContact CB-O 3.37Å; M1780-V1802 CarbonylContact O-C 2.77Å; M1780-V1802 VanDerWaalsContact O-CA 3.23Å; M1780-V1802 WeakPolarHBondContact O-CA 3.42Å; M1780-V1802 WeakPolarHBondContact O-CB 3.13Å; M1780-V1802 WeakPolarHBondContact O-CG1 3.31Å; N1781-V1802 VanDerWaalsContact C-CB 3.41Å; N1781-V1802 VanDerWaalsContact CA-C 3.43Å; N1781-V1802 VanDerWaalsContact CA-CA 3.47Å; N1781-V1802 VanDerWaalsContact CA-CG1 3.41Å; N1781-V1802 HydrophobicContact CB-CB 3.96Å; N1781-V1802 HydrophobicContact CB-CG1 3.34Å; N1781-V1802 HydrophobicContact CB-CG2 4.3Å; N1781-V1802 WeakPolarHBondContact O-CA 3.47Å; N1781-V1802 VanDerWaalsContact O-CB 3.22Å; N1781-V1802 WeakPolarHBondContact O-CB 3.39Å; N1781-V1802 WeakPolarHBondContact O-CG2 3.39Å |
| 1803 | E | 28.6 | Very low | 31.7 | Very low | 51 Ų | 51 | 124 Ų | 124 | 24% | 0.238 | 65% | 0.649 | C | S | . | * | | | | 0 | -164.4 | 0 | -120.8 | 106.3 | -103.1 | 0 | 0 | 109.4 | N1779 M1780 N1781 N1782 | N1779-E1803 WeakPolarHBondContact CB-OE2 3.23Å; M1780-E1803 VanDerWaalsContact C-CD 3.47Å; M1780-E1803 WeakPolarHBondContact CA-OE2 3.33Å; M1780-E1803 HydrophobicContact CB-CB 3.64Å; M1780-E1803 HydrophobicContact CE-CB 3.86Å; M1780-E1803 HydrophobicContact CG-CB 3.58Å; M1780-E1803 PolarHBondContact N-OE2 3.37Å; M1780-E1803 PolarHBondContact O-N 3.4Å; M1780-E1803 HydrophobicContact SD-CB 3.86Å; M1780-E1803 HydrophobicContact SD-CG 4.4Å; N1781-E1803 WeakPolarHBondContact CA-OE1 3.04Å; N1781-E1803 HydrophobicContact CB-CG 4.43Å; N1781-E1803 WeakPolarHBondContact CB-OE1 3.4Å; N1781-E1803 PolarHBondContact N-OE1 2.93Å; N1781-E1803 PolarHBondContact ND2-OE1 3.33Å; N1782-E1803 CarbonylContact C-O 3.41Å; N1782-E1803 CarbonylContact O-C 3.57Å |
| 1804 | Q | 29.2 | Very low | 31.9 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 45% | 0.453 | 65% | 0.645 | S | S | . | * | | | cis | 178.1 | 161 | -45.2 | -110.1 | 175.5 | -116.5 | 0 | 0 | 103.1 | N1781 | N1781-Q1804 PolarHBondContact ND2-OE1 2.78Š|
| 1805 | E | 28.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | | | trans | 66.7 | 150.1 | 155.2 | -76.6 | 153.6 | -171.7 | 0 | 0 | 114.9 | | |
| 1806 | D | 31.6 | Very low | 31.7 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 65% | 0.652 | 66% | 0.657 | S | S | * | * | | | cis | -143.7 | 160 | 11.6 | -134.6 | -30.1 | 0 | 0 | 0 | 111 | | |
| 1807 | N | 32.6 | Very low | 31.5 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | | | | 158.2 | 90.5 | 125 | -85.3 | -74.9 | 0 | 0 | 0 | 115.4 | | |
| 1808 | V | 33.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | | | trans | 63.3 | 153.9 | 133.1 | -139.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1809 | I | 37 | Very low | 31.5 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 72% | 0.718 | 67% | 0.665 | S | S | * | * | | | trans | 81.7 | 114.2 | 162.9 | -56.9 | 178.1 | 0 | 0 | 0 | 114.8 | | |
| 1810 | D | 36.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | | | cis | -150.2 | 160.4 | -2 | -84 | -25.7 | 0 | 0 | 0 | 110.2 | | |
| 1811 | D | 35.9 | Very low | 32 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | | | trans | 31.6 | 144.9 | 139.4 | -52.2 | -7.4 | 0 | 0 | 0 | 121.7 | | |
| 1812 | D | 35.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 122 Ų | 122 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | | | cis | -162.4 | 141.4 | 7.2 | -133.5 | 7.1 | 0 | 0 | 0 | 114 | | |
| 1813 | I | 33 | Very low | 32.3 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | | 45 | 137.5 | 122.8 | -73.5 | -176.8 | 0 | 0 | 0 | 121 | | |
| 1814 | I | 35.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | cis | -155.2 | 169.4 | 2.8 | -126.5 | 174.8 | 0 | 0 | 0 | 112.5 | | |
| 1815 | T | 26.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -115.3 | 114.6 | 175 | -30 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1816 | T | 32.9 | Very low | 33.5 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -150.4 | 122.7 | 159.2 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1817 | K | 30.3 | Very low | 34 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | cis | 84.1 | 118.2 | 47.5 | -158.5 | 179.5 | -172 | 177.2 | 0 | 113.4 | | |
| 1818 | T | 30.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | 94.9 | 125.6 | 160.6 | -12.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1819 | T | 31.2 | Very low | 33.7 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | 79 | 126.7 | 149.3 | 22.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1820 | L | 32.2 | Very low | 33.6 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | 68.3 | 122.8 | 156.5 | -58 | 171.6 | 0 | 0 | 0 | 118.5 | | |
| 1821 | G | 33 | Very low | 33.4 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | 179.6 | 14.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1822 | G | 33.7 | Very low | 33.3 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 77.7 | 97.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1823 | D | 31 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -71.5 | 143.3 | 176.9 | -55.5 | -87.5 | 0 | 0 | 0 | 114.2 | | |
| 1824 | C | 32.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 86% | 0.858 | 84% | 0.839 | S | S | * | * | | | trans | -157.6 | 100.9 | 149.9 | -143.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1825 | A | 34.8 | Very low | 32.9 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | | | trans | 71.5 | 156.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1826 | P | 44.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 85% | 0.849 | S | S | * | * | | | trans | -126.2 | -175.5 | -150.3 | 43.8 | -30.3 | 0 | 0 | 0 | 114.7 | | |
| 1827 | L | 40.7 | Very low | 33.5 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 90% | 0.901 | 86% | 0.858 | S | S | * | * | | | trans | -153.4 | 138.6 | 141.8 | -115.4 | 169.8 | 0 | 0 | 0 | 112.1 | | |
| 1828 | K | 27.9 | Very low | 33.8 | Very low | 266 Ų | 266 | 138.8 Ų | 138.8 | 100% | 1.157 | 86% | 0.859 | S | S | * | * | | | trans | -149.7 | 0 | 167.1 | -170.7 | 178.9 | -177.8 | -178.6 | 0 | 108.3 | | |