| 1 | M | 73.1 | Confident | 81.7 | Confident | 197 Ų | 197 | 135.5 Ų | 135.5 | 97% | 0.97 | 64% | 0.639 | S | S | * | * | | | | 0 | -82.3 | 0 | -124.2 | 58.6 | 160.7 | 0 | 0 | 114 | L3 R4 L5 | M1-L3 PolarHBondContact O-N 3.45Å; M1-R4 PolarHBondContact O-N 2.89Å; M1-L5 PolarHBondContact O-N 3.5Å |
| 2 | I | 74.4 | Confident | 82.1 | Confident | 124 Ų | 124 | 136.7 Ų | 136.7 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.2 | -41.1 | -156.8 | -58 | 171.6 | 0 | 0 | 0 | 115.5 | R4 L5 K6 | I2-R4 PolarHBondContact O-N 3.1Å; I2-L5 PolarHBondContact O-N 3.34Å; I2-K6 HydrophobicContact CG2-CD 4.31Å; I2-K6 HydrophobicContact CG2-CG 4.4Å; I2-K6 WeakPolarHBondContact O-CB 3.43Å; I2-K6 PolarHBondContact O-N 2.99Å |
| 3 | L | 76.1 | Confident | 82.5 | Confident | 140 Ų | 140 | 133.9 Ų | 133.9 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.6 | -31.5 | -179.9 | -110.6 | 161.7 | 0 | 0 | 0 | 113.6 | M1 R7 | M1-L3 PolarHBondContact O-N 3.45Å; L3-R7 WeakPolarHBondContact O-CG 3.39Å; L3-R7 PolarHBondContact O-N 3.19Å |
| 4 | R | 81.6 | Confident | 82.8 | Confident | 174 Ų | 174 | 132.2 Ų | 132.2 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.8 | -41.5 | 170.6 | -64.2 | -171.7 | -171.6 | 175.9 | 5 | 110.3 | M1 I2 K6 R7 I8 E1559 | M1-R4 PolarHBondContact O-N 2.89Å; I2-R4 PolarHBondContact O-N 3.1Å; R4-K6 PolarHBondContact O-N 3.4Å; R4-R7 WeakPolarHBondContact O-CB 3.3Å; R4-R7 PolarHBondContact O-N 2.84Å; R4-R7 VanDerWaalsContact O-N 3.14Å; R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 2.92Å; R4-E1559 IonicContact NH2-OE1 3.7Å; R4-E1559 PolarHBondContact NH2-OE1 2.8Å |
| 5 | L | 80.9 | Confident | 83.1 | Confident | 109 Ų | 109 | 130.1 Ų | 130.1 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63 | -42.4 | 177.4 | -149.3 | 76.8 | 0 | 0 | 0 | 112.4 | M1 I2 R7 I8 K9 | M1-L5 PolarHBondContact O-N 3.5Å; I2-L5 PolarHBondContact O-N 3.34Å; L5-R7 PolarHBondContact O-N 2.74Å; L5-I8 PolarHBondContact O-N 2.87Å; L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 2.85Å |
| 6 | K | 85.9 | Confident | 83.3 | Confident | 153 Ų | 153 | 127.5 Ų | 127.5 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -36 | 172.4 | -78.6 | -172.8 | 175.2 | -179.3 | 0 | 112.6 | I2 R4 S10 | I2-K6 HydrophobicContact CG2-CD 4.31Å; I2-K6 HydrophobicContact CG2-CG 4.4Å; I2-K6 WeakPolarHBondContact O-CB 3.43Å; I2-K6 PolarHBondContact O-N 2.99Å; R4-K6 PolarHBondContact O-N 3.4Å; K6-S10 WeakPolarHBondContact O-CB 3.35Å; K6-S10 PolarHBondContact O-N 3.11Å |
| 7 | R | 83.8 | Confident | 83.3 | Confident | 181 Ų | 181 | 125.8 Ų | 125.8 | 68% | 0.683 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -46.1 | 170.9 | -78.6 | -177.7 | 177.9 | -174.5 | 1.2 | 111.3 | L3 R4 L5 S10 I11 | L3-R7 WeakPolarHBondContact O-CG 3.39Å; L3-R7 PolarHBondContact O-N 3.19Å; R4-R7 WeakPolarHBondContact O-CB 3.3Å; R4-R7 PolarHBondContact O-N 2.84Å; R4-R7 VanDerWaalsContact O-N 3.14Å; L5-R7 PolarHBondContact O-N 2.74Å; R7-S10 PolarHBondContact O-N 3.05Å; R7-I11 WeakPolarHBondContact O-CB 3.24Å; R7-I11 WeakPolarHBondContact O-CD1 2.96Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.39Å |
| 8 | I | 85.5 | Confident | 83.3 | Confident | 104 Ų | 104 | 122.9 Ų | 122.9 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.3 | -50 | 178.6 | -67 | 165 | 0 | 0 | 0 | 111.1 | R4 L5 S10 I11 K12 | R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 2.92Å; L5-I8 PolarHBondContact O-N 2.87Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 2.86Å; I8-I11 CarbonylContact O-C 3.56Å; I8-I11 WeakPolarHBondContact O-CA 3.44Å; I8-I11 PolarHBondContact O-N 2.88Å; I8-K12 PolarHBondContact O-N 2.94Å |
| 9 | K | 85.9 | Confident | 83.2 | Confident | 153 Ų | 153 | 120.5 Ų | 120.5 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -36.8 | 178.5 | -153.7 | 156.5 | -173.2 | 164.6 | 0 | 111 | L5 I11 I13 | L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 2.85Å; K9-I11 PolarHBondContact O-N 2.63Å; K9-I13 HydrophobicContact CG-CD1 4.39Å; K9-I13 WeakPolarHBondContact O-CB 3.37Å; K9-I13 WeakPolarHBondContact O-CD1 3.24Å; K9-I13 WeakPolarHBondContact O-CG1 3.17Å; K9-I13 PolarHBondContact O-N 2.8Å |
| 10 | S | 84.9 | Confident | 83.1 | Confident | 66 Ų | 66 | 117.7 Ų | 117.7 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -30.8 | 170.7 | -173.4 | 0 | 0 | 0 | 0 | 113.8 | K6 R7 I8 M14 | K6-S10 WeakPolarHBondContact O-CB 3.35Å; K6-S10 PolarHBondContact O-N 3.11Å; R7-S10 PolarHBondContact O-N 3.05Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 2.86Å; S10-M14 WeakPolarHBondContact O-CB 3.33Å; S10-M14 PolarHBondContact O-N 2.92Å |
| 11 | I | 86.5 | Confident | 82.8 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.7 | -44.3 | 175.3 | -72.2 | 162.6 | 0 | 0 | 0 | 110.4 | R7 I8 K9 I13 M14 I15 | R7-I11 WeakPolarHBondContact O-CB 3.24Å; R7-I11 WeakPolarHBondContact O-CD1 2.96Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.39Å; I8-I11 CarbonylContact O-C 3.56Å; I8-I11 WeakPolarHBondContact O-CA 3.44Å; I8-I11 PolarHBondContact O-N 2.88Å; K9-I11 PolarHBondContact O-N 2.63Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.32Å; I11-M14 PolarHBondContact O-N 2.84Å; I11-M14 VanDerWaalsContact O-N 3.1Å; I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.36Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.8Å |
| 12 | K | 86.2 | Confident | 82.9 | Confident | 150 Ų | 150 | 115.1 Ų | 115.1 | 65% | 0.652 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.7 | -44.8 | 175 | -146.1 | 176 | -174.3 | -175.1 | 0 | 109.9 | I8 M14 I15 I16 | I8-K12 PolarHBondContact O-N 2.94Å; K12-M14 PolarHBondContact O-N 3.07Å; K12-I15 PolarHBondContact O-N 3.49Å; K12-I16 HydrophobicContact CG-CD1 4.36Å; K12-I16 WeakPolarHBondContact O-CB 3.31Å; K12-I16 WeakPolarHBondContact O-CD1 3.26Å; K12-I16 VanDerWaalsContact O-CG1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 2.89Å |
| 13 | I | 87.7 | Confident | 83.2 | Confident | 101 Ų | 101 | 115.2 Ų | 115.2 | 52% | 0.518 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -40.6 | 172.1 | -69 | 166.2 | 0 | 0 | 0 | 112.3 | K9 I11 M17 | K9-I13 HydrophobicContact CG-CD1 4.39Å; K9-I13 WeakPolarHBondContact O-CB 3.37Å; K9-I13 WeakPolarHBondContact O-CD1 3.24Å; K9-I13 WeakPolarHBondContact O-CG1 3.17Å; K9-I13 PolarHBondContact O-N 2.8Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.32Å; I13-M17 HydrophobicContact CG2-CG 4.25Å; I13-M17 VanDerWaalsContact O-CB 3.22Å; I13-M17 WeakPolarHBondContact O-CB 3.2Å; I13-M17 VanDerWaalsContact O-CG 3.27Å; I13-M17 WeakPolarHBondContact O-CG 3.43Å; I13-M17 PolarHBondContact O-N 3.18Å |
| 14 | M | 86.6 | Confident | 83.1 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.7 | -38.6 | 178.3 | -169.1 | -169.4 | -44.5 | 0 | 0 | 112.2 | S10 I11 K12 T18 | S10-M14 WeakPolarHBondContact O-CB 3.33Å; S10-M14 PolarHBondContact O-N 2.92Å; I11-M14 PolarHBondContact O-N 2.84Å; I11-M14 VanDerWaalsContact O-N 3.1Å; K12-M14 PolarHBondContact O-N 3.07Å; M14-T18 VanDerWaalsContact O-CB 3.28Å; M14-T18 WeakPolarHBondContact O-CB 3.39Å; M14-T18 PolarHBondContact O-N 3.32Å; M14-T18 PolarHBondContact O-OG1 3.28Å |
| 15 | I | 87 | Confident | 82 | Confident | 100 Ų | 100 | 110.7 Ų | 110.7 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -50.9 | 174.4 | -68.7 | 166.9 | 0 | 0 | 0 | 109.6 | I11 K12 M17 T18 V19 | I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.36Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.8Å; K12-I15 PolarHBondContact O-N 3.49Å; I15-M17 PolarHBondContact O-N 2.97Å; I15-T18 CarbonylContact O-C 3.57Å; I15-T18 WeakPolarHBondContact O-CA 3.49Å; I15-T18 WeakPolarHBondContact O-CB 3.37Å; I15-T18 PolarHBondContact O-N 3.36Å; I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.38Å |
| 16 | I | 86.1 | Confident | 81 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 177 | -68.8 | 164.6 | 0 | 0 | 0 | 110.7 | K12 T18 V19 I20 | K12-I16 HydrophobicContact CG-CD1 4.36Å; K12-I16 WeakPolarHBondContact O-CB 3.31Å; K12-I16 WeakPolarHBondContact O-CD1 3.26Å; K12-I16 VanDerWaalsContact O-CG1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 2.89Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 2.92Å; I16-V19 PolarHBondContact O-N 3.22Å; I16-I20 HydrophobicContact CG2-CD1 3.62Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.27Å; I16-I20 VanDerWaalsContact O-CG1 3.23Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 2.83Å |
| 17 | M | 84.4 | Confident | 79.4 | Confident | 99 Ų | 99 | 109.6 Ų | 109.6 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.8 | -31.3 | 173.5 | -78.2 | -87.3 | 96.4 | 0 | 0 | 113.1 | I13 I15 I20 L21 | I13-M17 HydrophobicContact CG2-CG 4.25Å; I13-M17 VanDerWaalsContact O-CB 3.22Å; I13-M17 WeakPolarHBondContact O-CB 3.2Å; I13-M17 VanDerWaalsContact O-CG 3.27Å; I13-M17 WeakPolarHBondContact O-CG 3.43Å; I13-M17 PolarHBondContact O-N 3.18Å; I15-M17 PolarHBondContact O-N 2.97Å; M17-I20 HydrophobicContact CE-CD1 4.47Å; M17-I20 HydrophobicContact CE-CG2 4.47Å; M17-L21 VanDerWaalsContact O-CB 3.29Å; M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 VanDerWaalsContact O-CD1 3.26Å; M17-L21 WeakPolarHBondContact O-CD1 3.44Å; M17-L21 PolarHBondContact O-N 2.89Å |
| 18 | T | 82.4 | Confident | 77.4 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 45% | 0.454 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77 | -40.5 | 178 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | M14 I15 I16 L21 F22 | M14-T18 VanDerWaalsContact O-CB 3.28Å; M14-T18 WeakPolarHBondContact O-CB 3.39Å; M14-T18 PolarHBondContact O-N 3.32Å; M14-T18 PolarHBondContact O-OG1 3.28Å; I15-T18 CarbonylContact O-C 3.57Å; I15-T18 WeakPolarHBondContact O-CA 3.49Å; I15-T18 WeakPolarHBondContact O-CB 3.37Å; I15-T18 PolarHBondContact O-N 3.36Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 2.92Å; T18-L21 PolarHBondContact O-N 2.99Å; T18-F22 PolarHBondContact O-N 3.34Å |
| 19 | V | 80.9 | Confident | 75.5 | Confident | 77 Ų | 77 | 104.4 Ų | 104.4 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | I15 I16 L21 F22 I23 | I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.38Å; I16-V19 PolarHBondContact O-N 3.22Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.39Å; V19-F22 WeakPolarHBondContact O-CB 3.37Å; V19-F22 PolarHBondContact O-N 3.06Å; V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 2.73Å |
| 20 | I | 81.6 | Confident | 73.3 | Confident | 64 Ų | 64 | 103.2 Ų | 103.2 | 33% | 0.328 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 173.1 | -68.8 | 174.6 | 0 | 0 | 0 | 111.1 | I16 M17 L24 | I16-I20 HydrophobicContact CG2-CD1 3.62Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.27Å; I16-I20 VanDerWaalsContact O-CG1 3.23Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 2.83Å; M17-I20 HydrophobicContact CE-CD1 4.47Å; M17-I20 HydrophobicContact CE-CG2 4.47Å; I20-L24 HydrophobicContact CG2-CD1 3.54Å; I20-L24 HydrophobicContact CG2-CG 4.05Å; I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.02Å |
| 21 | L | 77.2 | Confident | 71 | Confident | 95 Ų | 95 | 105 Ų | 105 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 170.7 | -109.5 | 78.9 | 0 | 0 | 0 | 112.3 | M17 T18 V19 F25 | M17-L21 VanDerWaalsContact O-CB 3.29Å; M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 VanDerWaalsContact O-CD1 3.26Å; M17-L21 WeakPolarHBondContact O-CD1 3.44Å; M17-L21 PolarHBondContact O-N 2.89Å; T18-L21 PolarHBondContact O-N 2.99Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.39Å; L21-F25 HydrophobicContact CG-CD2 4.17Å; L21-F25 WeakPolarHBondContact O-CA 3.22Å; L21-F25 VanDerWaalsContact O-CB 3.26Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.48Å |
| 22 | F | 76.1 | Confident | 68.7 | Low | 166 Ų | 166 | 108.9 Ų | 108.9 | 73% | 0.728 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -39.3 | 177.5 | -113.9 | -95.9 | 0 | 0 | 0 | 112 | T18 V19 | T18-F22 PolarHBondContact O-N 3.34Å; V19-F22 WeakPolarHBondContact O-CB 3.37Å; V19-F22 PolarHBondContact O-N 3.06Å |
| 23 | I | 78.8 | Confident | 66.5 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 64% | 0.641 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.3 | -45 | 177.4 | -64.4 | 167.5 | 0 | 0 | 0 | 111.1 | V19 | V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 2.73Å |
| 24 | L | 75.8 | Confident | 64 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -89.1 | -13.3 | -175.7 | -59.1 | -176.2 | 0 | 0 | 0 | 114.9 | I20 | I20-L24 HydrophobicContact CG2-CD1 3.54Å; I20-L24 HydrophobicContact CG2-CG 4.05Å; I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.02Å |
| 25 | F | 57.4 | Low | 61.8 | Low | 108 Ų | 108 | 108.8 Ų | 108.8 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | | | trans | -128.7 | 85.5 | 171.7 | -73.5 | -93.8 | 0 | 0 | 0 | 111.3 | L21 I27 | L21-F25 HydrophobicContact CG-CD2 4.17Å; L21-F25 WeakPolarHBondContact O-CA 3.22Å; L21-F25 VanDerWaalsContact O-CB 3.26Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.48Å; F25-I27 HydrophobicContact CB-CG1 4.46Å; F25-I27 VanDerWaalsContact O-CG1 3.3Å; F25-I27 WeakPolarHBondContact O-CG1 3.2Å; F25-I27 PolarHBondContact O-N 3.22Å |
| 26 | P | 60.1 | Low | 59.4 | Low | 103 Ų | 103 | 110.4 Ų | 110.4 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | | | trans | -59.2 | 103.8 | 158.1 | 24.8 | -33.7 | 0 | 0 | 0 | 109.5 | N28 | P26-N28 PolarHBondContact O-N 3.1Š|
| 27 | I | 52.8 | Low | 57.2 | Low | 136 Ų | 136 | 113.1 Ų | 113.1 | 70% | 0.697 | 61% | 0.605 | S | S | * | * | | | trans | -76.8 | 85 | -172.9 | -55.3 | -172.3 | 0 | 0 | 0 | 110.7 | F25 I29 | F25-I27 HydrophobicContact CB-CG1 4.46Å; F25-I27 VanDerWaalsContact O-CG1 3.3Å; F25-I27 WeakPolarHBondContact O-CG1 3.2Å; F25-I27 PolarHBondContact O-N 3.22Å; I27-I29 HydrophobicContact CG2-CD1 4.25Å; I27-I29 HydrophobicContact CG2-CG1 4.04Å; I27-I29 PolarHBondContact O-N 3.15Å |
| 28 | N | 41.6 | Very low | 54.7 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | | | trans | -77.4 | 103.5 | 170.7 | -172.3 | -22.4 | 0 | 0 | 0 | 111 | P26 R308 | P26-N28 PolarHBondContact O-N 3.1Å; N28-R308 PolarHBondContact O-NH1 3.4Å |
| 29 | I | 45.1 | Very low | 52.6 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | | | trans | -137.6 | 96.7 | 162.9 | -45.8 | -173.5 | 0 | 0 | 0 | 109.7 | I27 | I27-I29 HydrophobicContact CG2-CD1 4.25Å; I27-I29 HydrophobicContact CG2-CG1 4.04Å; I27-I29 PolarHBondContact O-N 3.15Å |
| 30 | N | 39.3 | Very low | 50.6 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 68% | 0.684 | 66% | 0.655 | S | S | * | * | | | trans | -82.1 | 135.6 | 167.4 | -138.4 | -8.7 | 0 | 0 | 0 | 109.6 | | |
| 31 | S | 37.7 | Very low | 48.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | | | trans | -162.1 | 120.3 | 162.9 | -77.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 32 | H | 37.7 | Very low | 46.3 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 78% | 0.782 | 70% | 0.698 | S | S | * | * | | | trans | -67.2 | -175.5 | 175.5 | -88.2 | -54.8 | 0 | 0 | 0 | 113.9 | | |
| 33 | P | 41 | Very low | 44.4 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 48% | 0.481 | 70% | 0.696 | S | S | . | * | | | cis | -136 | 171.4 | 1.3 | 14.2 | 13.4 | 0 | 0 | 0 | 118.1 | | |
| 34 | I | 34.3 | Very low | 42.5 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | | | trans | 47.8 | 123.4 | 137.5 | -58.7 | 162.7 | 0 | 0 | 0 | 120.9 | | |
| 35 | V | 40.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | | | | -163 | 158.5 | 119.6 | 142.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 36 | N | 37.6 | Very low | 39.9 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | trans | -86.6 | 151.4 | -167.8 | -45.7 | -52.3 | 0 | 0 | 0 | 114.8 | | |
| 37 | D | 38.3 | Very low | 38.9 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | | 175.4 | 119.1 | 116.8 | -86.8 | -2.1 | 0 | 0 | 0 | 107.9 | | |
| 38 | E | 32.4 | Very low | 38.2 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | | | | 74.2 | 65.9 | 73.6 | -164.4 | 165.6 | -130.5 | 0 | 0 | 114.5 | | |
| 39 | A | 37.6 | Very low | 38.1 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | | | trans | -156.2 | 140.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115 | H41 | A39-H41 PolarHBondContact O-N 3.09Š|
| 40 | A | 39.9 | Very low | 37.9 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | 56.9 | 50.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | Q42 | A40-Q42 PolarHBondContact O-N 3.42Š|
| 41 | H | 32.7 | Very low | 37.9 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 93% | 0.931 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 66.3 | 155.4 | -153.1 | 85.7 | 0 | 0 | 0 | 111.1 | A39 | A39-H41 PolarHBondContact O-N 3.09Š|
| 42 | Q | 35.9 | Very low | 37.9 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -149.3 | 108.6 | 173.5 | -85.2 | -164.5 | -6.8 | 0 | 0 | 111.7 | A40 | A40-Q42 PolarHBondContact O-N 3.42Š|
| 43 | H | 36.8 | Very low | 38.1 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 68% | 0.676 | 78% | 0.783 | S | S | * | * | | | trans | -173.7 | -7.6 | 133.4 | -118.8 | -93.5 | 0 | 0 | 0 | 114.7 | K45 T46 | H43-K45 PolarHBondContact O-N 3.27Å; H43-T46 PolarHBondContact O-OG1 2.85Å |
| 44 | I | 39 | Very low | 38 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 62 | 171.8 | -47.9 | 179.2 | 0 | 0 | 0 | 110.9 | | |
| 45 | K | 38.6 | Very low | 38.2 | Very low | 208 Ų | 208 | 149.7 Ų | 149.7 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.1 | 34.6 | 157.5 | -109.1 | 167.7 | -176.8 | 173.6 | 0 | 114.8 | H43 | H43-K45 PolarHBondContact O-N 3.27Š|
| 46 | T | 38.4 | Very low | 38.1 | Very low | 73 Ų | 73 | 152.2 Ų | 152.2 | 45% | 0.448 | 80% | 0.803 | S | S | . | * | S | Bend | trans | -124 | 2.7 | -172 | -25.2 | 0 | 0 | 0 | 0 | 116.4 | H43 | H43-T46 PolarHBondContact O-OG1 2.85Š|
| 47 | L | 39 | Very low | 38.3 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -121.1 | -14.7 | -177.2 | -82.1 | 168.4 | 0 | 0 | 0 | 116.6 | N49 | L47-N49 PolarHBondContact O-N 3.34Š|
| 48 | S | 38.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 44.9 | -178.3 | -163.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 49 | N | 39.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.4 | 31.7 | 166.8 | -120.5 | -84.5 | 0 | 0 | 0 | 116.1 | L47 | L47-N49 PolarHBondContact O-N 3.34Š|
| 50 | I | 41.7 | Very low | 39 | Very low | 140 Ų | 140 | 150 Ų | 150 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -128.8 | 50.8 | 179.6 | -39.3 | -177 | 0 | 0 | 0 | 113.3 | | |
| 51 | M | 40 | Very low | 38.9 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 98% | 0.98 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -137.7 | 65.7 | 150.7 | -80.9 | -148.4 | -67.5 | 0 | 0 | 110.6 | | |
| 52 | G | 37.7 | Very low | 39.3 | Very low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | trans | -161.2 | 66 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 53 | K | 41.1 | Very low | 39.4 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | -171.9 | 85.3 | 169.3 | -104.6 | 142.7 | -168.5 | 161.7 | 0 | 114.5 | | |
| 54 | Q | 38.6 | Very low | 39.5 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -159.2 | 138.7 | 143.3 | -75.6 | -150.3 | 57.1 | 0 | 0 | 106.6 | | |
| 55 | L | 39.2 | Very low | 39.5 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | cis | -145.4 | 152 | -11.5 | -101.6 | 167.2 | 0 | 0 | 0 | 107 | | |
| 56 | H | 37 | Very low | 39.5 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 89% | 0.889 | 74% | 0.741 | S | S | * | * | | | trans | -146.9 | 126.3 | 176.6 | -126.4 | 80.5 | 0 | 0 | 0 | 110.7 | | |
| 57 | N | 42.3 | Very low | 39.7 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -163.8 | 115.2 | 172.1 | -151 | -2.5 | 0 | 0 | 0 | 113.6 | | |
| 58 | N | 41.5 | Very low | 39.7 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | trans | 67.2 | 145 | 163.5 | -62.5 | -37.4 | 0 | 0 | 0 | 118.2 | | |
| 59 | N | 41.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | cis | -159.9 | 160 | 3.9 | -131.2 | -26.2 | 0 | 0 | 0 | 114.8 | | |
| 60 | N | 40 | Very low | 40.5 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | trans | 69.7 | 108.1 | 150.9 | -82.7 | -20.4 | 0 | 0 | 0 | 124.1 | | |
| 61 | T | 39.1 | Very low | 40.7 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 63% | 0.632 | 74% | 0.736 | S | S | * | * | | | | 57.1 | 138.2 | 119.6 | 62 | 0 | 0 | 0 | 0 | 120.9 | | |
| 62 | K | 40.6 | Very low | 41 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | | | cis | -169.7 | -160.5 | 14.9 | -114.7 | 165 | -168.7 | 167.6 | 0 | 108.3 | | |
| 63 | L | 38.5 | Very low | 41.3 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | | | cis | -163.4 | 133.2 | 15.9 | -131.8 | 134.9 | 0 | 0 | 0 | 109.8 | | |
| 64 | F | 37.9 | Very low | 41.5 | Very low | 160 Ų | 160 | 138 Ų | 138 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | | | trans | 36.1 | 123.6 | 147.4 | -72.5 | -96.6 | 0 | 0 | 0 | 121.6 | | |
| 65 | D | 38.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | | | | 78.6 | 151.8 | 70.2 | -81.3 | 29.7 | 0 | 0 | 0 | 113.5 | | |
| 66 | N | 39.1 | Very low | 41.8 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | | | cis | -162.7 | 177.2 | -1.7 | -136.8 | -61.4 | 0 | 0 | 0 | 109.8 | | |
| 67 | I | 41.3 | Very low | 42 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | | | trans | 161.4 | 130 | 131.5 | -84.6 | 159 | 0 | 0 | 0 | 112.4 | | |
| 68 | I | 38.9 | Very low | 41.8 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | | | trans | -136.8 | -125.5 | 165.9 | -29 | 173.1 | 0 | 0 | 0 | 106.7 | | |
| 69 | P | 53.2 | Low | 41.6 | Very low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | | | cis | -130.1 | -167.3 | -17.9 | 37.1 | -15.3 | 0 | 0 | 0 | 113.9 | | |
| 70 | N | 43.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 69% | 0.685 | S | S | * | * | | | trans | 103.9 | 132.4 | 158.5 | -56.5 | -44.5 | 0 | 0 | 0 | 117.4 | | |
| 71 | H | 44.3 | Very low | 41.4 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | | | cis | -152.2 | -161.4 | 9.3 | -133.2 | 23.4 | 0 | 0 | 0 | 110.5 | | |
| 72 | I | 45.8 | Very low | 41.2 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 67% | 0.672 | 69% | 0.694 | S | S | * | * | | | cis | -158.9 | 156.8 | 21.9 | -144 | -168.2 | 0 | 0 | 0 | 112.3 | | |
| 73 | I | 45.8 | Very low | 40.9 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | | | trans | 13.9 | 129.7 | 138.1 | -69.6 | 170.7 | 0 | 0 | 0 | 117.6 | | |
| 74 | T | 44.3 | Very low | 40.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | | | cis | -173.4 | 164.5 | 13 | 17.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 75 | D | 42.7 | Very low | 40.5 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | | | cis | -159.7 | 171.5 | -8.9 | -149.6 | -5.3 | 0 | 0 | 0 | 111.7 | | |
| 76 | N | 42 | Very low | 40.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | | | trans | 61.5 | 88.5 | 156 | -71.9 | -63.3 | 0 | 0 | 0 | 120.9 | | |
| 77 | D | 41.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | | | | 72.1 | 112.1 | 103.4 | -81.4 | 23.1 | 0 | 0 | 0 | 122.8 | | |
| 78 | N | 38.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | | | | 86.9 | 87.5 | 121 | -73.3 | -39.5 | 0 | 0 | 0 | 120.4 | | |
| 79 | Q | 37.4 | Very low | 39.8 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | | | | 111 | 152.7 | 97.9 | -100.7 | -178.8 | 75.3 | 0 | 0 | 118.8 | | |
| 80 | L | 38.4 | Very low | 39.1 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | | | trans | 83.4 | 114.3 | 162.8 | -69.7 | 156.5 | 0 | 0 | 0 | 119.2 | | |
| 81 | L | 36.6 | Very low | 38.3 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | | | trans | 83.6 | 81.2 | 140.9 | -70.8 | 159.9 | 0 | 0 | 0 | 120.2 | | |
| 82 | F | 35.6 | Very low | 37.9 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | | 81.8 | 104.2 | 124.7 | -92.7 | -127.3 | 0 | 0 | 0 | 120.1 | D84 | F82-D84 PolarHBondContact O-N 3.24Š|
| 83 | K | 34.4 | Very low | 37.2 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 73% | 0.727 | S | S | * | * | | | trans | 69.5 | 35 | 139.2 | -59 | -166.4 | 173.9 | -165.8 | 0 | 118 | | |
| 84 | D | 32.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | | | trans | -71 | 140.6 | 139.2 | -88.2 | -16 | 0 | 0 | 0 | 109.3 | F82 | F82-D84 PolarHBondContact O-N 3.24Š|
| 85 | V | 35.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | | | cis | 91.1 | 157.5 | 46.5 | 168 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | A | 32.4 | Very low | 36 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | 72.7 | 148.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 87 | S | 32.6 | Very low | 36 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -141.2 | 154.6 | 6.2 | -153.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | I | 38 | Very low | 35.7 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | | -156.3 | 154.8 | 59.2 | -83.8 | -179.3 | 0 | 0 | 0 | 111.2 | | |
| 89 | Q | 40.4 | Very low | 35.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 3.5 | 140.9 | 156.4 | -57.7 | 150.6 | -1.8 | 0 | 0 | 118.2 | | |
| 90 | G | 38.6 | Very low | 35.6 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | cis | 113.5 | 99.1 | 28.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 91 | S | 27.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | | 62.5 | 64.1 | 89.7 | -162.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 92 | T | 34.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -162.5 | 116.1 | 145.4 | 21.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 93 | T | 32.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | | 69.3 | 139.2 | 65.3 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 94 | I | 36.6 | Very low | 35.8 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | | | trans | 91.8 | 124.2 | 176.8 | -55.9 | -179.5 | 0 | 0 | 0 | 114.1 | | |
| 95 | K | 34.2 | Very low | 36.1 | Very low | 169 Ų | 169 | 118.9 Ų | 118.9 | 74% | 0.735 | 69% | 0.69 | S | S | * | * | | | cis | -174 | 166.5 | -17.6 | -129.4 | 172.4 | -168.7 | 170.7 | 0 | 112.6 | | |
| 96 | N | 37.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | | | trans | 75.9 | 152.1 | 162.5 | -51.6 | -29 | 0 | 0 | 0 | 116.6 | | |
| 97 | N | 40.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | cis | -170.9 | 149.8 | -30.6 | -92.4 | -28.3 | 0 | 0 | 0 | 104.7 | | |
| 98 | I | 36.6 | Very low | 37.1 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | | | | -152.7 | 127.5 | 53.5 | -78.7 | 178 | 0 | 0 | 0 | 110 | | |
| 99 | M | 36.6 | Very low | 37.2 | Very low | 143 Ų | 143 | 118.2 Ų | 118.2 | 70% | 0.704 | 67% | 0.67 | S | S | * | * | | | trans | 40.7 | 140.7 | 141.1 | -54.4 | -175.6 | -142.1 | 0 | 0 | 122 | | |
| 100 | N | 37.6 | Very low | 37.3 | Very low | 141 Ų | 141 | 115.6 Ų | 115.6 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | | | cis | -165.1 | 122.6 | -6.9 | -103.4 | -19.2 | 0 | 0 | 0 | 109.7 | | |
| 101 | T | 34.9 | Very low | 37.5 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 66% | 0.664 | S | S | * | * | | | trans | -72.3 | 173.2 | 158.3 | -23.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 102 | T | 35.6 | Very low | 38.3 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | | | trans | 134.6 | 121.5 | 137 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 103 | T | 37.6 | Very low | 38.9 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | | | trans | -93.3 | 153.8 | 167.7 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | I305 | T103-I305 HydrophobicContact CG2-CB 3.81Å; T103-I305 HydrophobicContact CG2-CD1 3.92Å; T103-I305 HydrophobicContact CG2-CG1 4.48Å; T103-I305 HydrophobicContact CG2-CG2 3.38Å |
| 104 | T | 39.3 | Very low | 39.6 | Very low | 31 Ų | 31 | 119 Ų | 119 | 19% | 0.19 | 65% | 0.645 | C | S | . | * | | | trans | 0.7 | 124.5 | 177.3 | -34.4 | 0 | 0 | 0 | 0 | 120.1 | I305 R306 D309 | T104-I305 VanDerWaalsContact OG1-C 3.31Å; T104-I305 PolarHBondContact OG1-O 3.43Å; T104-R306 HydrophobicContact CG2-CB 4.43Å; T104-R306 HydrophobicContact CG2-CG 3.92Å; T104-R306 WeakPolarHBondContact OG1-CA 3.36Å; T104-R306 PolarHBondContact OG1-N 3.33Å; T104-D309 WeakPolarHBondContact CB-OD2 3.35Å; T104-D309 HydrophobicContact CG2-CB 3.74Å; T104-D309 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D309 PolarHBondContact OG1-OD2 3.34Å |
| 105 | T | 39.8 | Very low | 40.3 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | | | | 51.3 | 141 | 83.7 | -8.2 | 0 | 0 | 0 | 0 | 113.9 | R306 | T105-R306 WeakPolarHBondContact OG1-CG 3.49Å; T105-R306 PolarHBondContact OG1-NE 3.2Å |
| 106 | T | 38.8 | Very low | 41 | Very low | 82 Ų | 82 | 116.2 Ų | 116.2 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | | | cis | -159.1 | 132.1 | 25.5 | -43.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 107 | T | 40.7 | Very low | 41.6 | Very low | 118 Ų | 118 | 117 Ų | 117 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | | | trans | 33.9 | 136.6 | 137.6 | -39.8 | 0 | 0 | 0 | 0 | 120 | | |
| 108 | N | 41.1 | Very low | 42 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | | | cis | -172.2 | 164.3 | 44.8 | -151.8 | 4.1 | 0 | 0 | 0 | 116.4 | | |
| 109 | N | 40.5 | Very low | 42.6 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 66% | 0.658 | 64% | 0.641 | S | S | * | * | | | trans | 64.7 | 145.5 | 150.8 | -83.9 | -10.5 | 0 | 0 | 0 | 120.7 | | |
| 110 | N | 42 | Very low | 43.3 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | | | cis | -163.9 | 159 | -6.2 | -147 | -12.9 | 0 | 0 | 0 | 113.4 | | |
| 111 | N | 43 | Very low | 43.8 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | | | trans | 66.4 | 144.5 | 159 | -77 | -30.9 | 0 | 0 | 0 | 120.5 | | |
| 112 | N | 45.4 | Very low | 44.6 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | | | cis | -165.6 | 147.3 | -5.5 | -145.3 | -17.1 | 0 | 0 | 0 | 114.8 | | |
| 113 | N | 46.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 113 Ų | 113 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | | | trans | 62.9 | 141.3 | 154.4 | -78.4 | -34 | 0 | 0 | 0 | 122.4 | | |
| 114 | N | 47.7 | Very low | 45.7 | Very low | 126 Ų | 126 | 118 Ų | 118 | 67% | 0.674 | 66% | 0.664 | S | S | * | * | | | cis | -168.5 | 134.8 | -5.7 | -143.3 | -15.4 | 0 | 0 | 0 | 115.3 | | |
| 115 | N | 50.4 | Low | 46 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | | | trans | 90.5 | 172.4 | 169 | -57.5 | -83.2 | 0 | 0 | 0 | 121.8 | | |
| 116 | N | 49.5 | Very low | 46.3 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | | | | -173.1 | 153.4 | -61.3 | -89.5 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 117 | N | 49.1 | Very low | 46.8 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | | | trans | 66.3 | 161.8 | 159 | -74.6 | 107.7 | 0 | 0 | 0 | 121.8 | | |
| 118 | D | 48.7 | Very low | 47.2 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | cis | -167.4 | -172.4 | -24.1 | -142.8 | -74.2 | 0 | 0 | 0 | 113.6 | K120 | D118-K120 IonicContact OD1-NZ 3.7Å; D118-K120 PolarHBondContact OD1-NZ 3.08Å |
| 119 | S | 50.3 | Low | 47.5 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | | | trans | 126.7 | 166 | 159 | -155.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 120 | K | 50.2 | Low | 47.8 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | | | trans | -161.9 | 172.9 | -176 | -53.3 | 91.4 | -151 | 176.2 | 0 | 112.1 | D118 | D118-K120 IonicContact OD1-NZ 3.7Å; D118-K120 PolarHBondContact OD1-NZ 3.08Å |
| 121 | G | 48.7 | Very low | 48 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 71% | 0.705 | S | S | * | * | | | cis | 159 | 144.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 122 | S | 51.6 | Low | 48.1 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | | | trans | -168.5 | 176 | 177.9 | -160.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 123 | N | 48.9 | Very low | 48 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | | | trans | -168.3 | 167 | -172.2 | 45.2 | -96.3 | 0 | 0 | 0 | 119.6 | | |
| 124 | H | 47.1 | Very low | 47.9 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | | | trans | 109.3 | 157.1 | 166.8 | -63.6 | -59.8 | 0 | 0 | 0 | 120.4 | | |
| 125 | S | 46 | Very low | 47.9 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | | | cis | 176.5 | 117.6 | -23.9 | 179.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 126 | L | 46.7 | Very low | 47.9 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | | | trans | 77.2 | 146.4 | 140.4 | -65.1 | 174.9 | 0 | 0 | 0 | 130 | | |
| 127 | T | 47.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | | | trans | 77.4 | 151.3 | 146.5 | 46.6 | 0 | 0 | 0 | 0 | 125.8 | | |
| 128 | N | 49.2 | Very low | 48.4 | Very low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | | | cis | -176.9 | 147 | -23.9 | -105.9 | 32.9 | 0 | 0 | 0 | 117.7 | | |
| 129 | E | 47.4 | Very low | 48.5 | Very low | 130 Ų | 130 | 114.7 Ų | 114.7 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | | | trans | 81 | 124.2 | 136.7 | -71.7 | 175.8 | 99.8 | 0 | 0 | 131.6 | | |
| 130 | R | 48.3 | Very low | 48.4 | Very low | 185 Ų | 185 | 113.2 Ų | 113.2 | 70% | 0.698 | 61% | 0.611 | S | S | * | * | | | trans | 85.5 | 155.9 | 132.1 | -70 | -176.7 | -157.8 | -72.9 | -11 | 127.1 | | |
| 131 | Q | 45.7 | Very low | 48.1 | Very low | 105 Ų | 105 | 111.7 Ų | 111.7 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | | | cis | 176.9 | 138.8 | -26 | -137.4 | 164.5 | 9.4 | 0 | 0 | 119 | R1424 | Q131-R1424 VanDerWaalsContact CG-NE 3.28Š|
| 132 | K | 45.1 | Very low | 47.9 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | | | trans | 85.3 | 140.2 | 144.9 | -112.1 | -170.5 | 171 | -60.6 | 0 | 131.4 | N1423 | K132-N1423 VanDerWaalsContact CE-CG 3.46Å; K132-N1423 WeakPolarHBondContact CE-OD1 3.33Å; K132-N1423 WeakPolarHBondContact CG-OD1 3.33Å; K132-N1423 PolarHBondContact NZ-ND2 2.79Å; K132-N1423 PolarHBondContact NZ-OD1 3.44Å |
| 133 | T | 42.2 | Very low | 47.6 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | | | trans | 88 | 113.8 | 139 | 60 | 0 | 0 | 0 | 0 | 133.6 | | |
| 134 | N | 46 | Very low | 47.2 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 35% | 0.348 | 60% | 0.6 | S | S | . | * | | | | 70.8 | 124.7 | 110.5 | -62.2 | 99.6 | 0 | 0 | 0 | 133.6 | | |
| 135 | N | 47.6 | Very low | 46.9 | Very low | 41 Ų | 41 | 110.8 Ų | 110.8 | 22% | 0.219 | 60% | 0.595 | C | S | . | * | | | | 83.5 | 145.2 | 128.6 | -57 | 9 | 0 | 0 | 0 | 131.2 | S1226 S1253 | N135-S1226 VanDerWaalsContact ND2-CB 3.3Å; N135-S1226 WeakPolarHBondContact ND2-CB 3.42Å; N135-S1226 PolarHBondContact ND2-OG 3.07Å; N135-S1226 VanDerWaalsContact ND2-OG 3.07Å; N135-S1253 PolarHBondContact N-OG 3.08Å |
| 136 | H | 49.3 | Very low | 46.7 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 40% | 0.403 | 60% | 0.604 | S | S | . | * | | | trans | 114 | 110.8 | 133.6 | -68.4 | -58.6 | 0 | 0 | 0 | 128.6 | D1224 D1251 | H136-D1224 IonicContact CE1-OD1 2.76Å; H136-D1224 IonicContact CG-OD1 2.6Å; H136-D1224 IonicContact ND1-OD1 3.85Å; H136-D1224 PolarHBondContact ND1-OD1 3.2Å; H136-D1251 PolarHBondContact N-O 3.13Å; H136-D1251 VanDerWaalsContact N-O 3.13Å |
| 137 | L | 59.1 | Low | 46.5 | Very low | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | | | trans | 132.1 | 97.5 | 130.9 | -164.6 | 65.4 | 0 | 0 | 0 | 126.2 | D1224 A1250 D1251 | L137-D1224 WeakPolarHBondContact CA-OD1 3.3Å; L137-D1224 WeakPolarHBondContact CD1-OD2 3.49Å; L137-D1224 PolarHBondContact N-OD1 2.97Å; L137-A1250 PolarHBondContact N-O 3.28Å; L137-D1251 PolarHBondContact N-OD2 3.01Å |
| 138 | S | 51.8 | Low | 46.2 | Very low | 45 Ų | 45 | 113.1 Ų | 113.1 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | | | trans | 79.5 | 132.1 | 136.5 | -79.9 | 0 | 0 | 0 | 0 | 132.8 | A1223 | S138-A1223 VanDerWaalsContact OG-CB 3.3Å; S138-A1223 WeakPolarHBondContact OG-CB 3.44Å |
| 139 | Q | 50.4 | Low | 45.8 | Very low | 176 Ų | 176 | 115.7 Ų | 115.7 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | | | | 92.8 | 121.2 | 129.4 | -82.8 | -169.1 | 21.6 | 0 | 0 | 131.8 | | |
| 140 | A | 47.2 | Very low | 45.6 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | | | | 106.1 | 115.4 | 117.7 | 0 | 0 | 0 | 0 | 0 | 129.9 | | |
| 141 | I | 44.3 | Very low | 45.4 | Very low | 145 Ų | 145 | 114.2 Ų | 114.2 | 74% | 0.744 | 61% | 0.607 | S | S | * | * | | | | 98.5 | 125 | 121.1 | -71.8 | 174.9 | 0 | 0 | 0 | 128.2 | | |
| 142 | N | 45.2 | Very low | 45.1 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | | | trans | 96.3 | 111.5 | 141.5 | -87.5 | -10.7 | 0 | 0 | 0 | 130.1 | | |
| 143 | N | 44.7 | Very low | 45 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | | | | 84.8 | 126.7 | 118.9 | -75.4 | -18.8 | 0 | 0 | 0 | 129.7 | | |
| 144 | S | 40.3 | Very low | 44.8 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | | | trans | 85.8 | 150.5 | 132.4 | -68.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 145 | T | 41.3 | Very low | 44.3 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | | | cis | -175.7 | 160.2 | -17 | 31.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 146 | L | 41.3 | Very low | 43.8 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | | | trans | 73.9 | 156.4 | 154.8 | -99.7 | 73.8 | 0 | 0 | 0 | 119.6 | | |
| 147 | S | 42.4 | Very low | 43.2 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 58% | 0.58 | 72% | 0.717 | S | S | * | * | | | cis | -166.5 | 128.7 | 6.4 | 152.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 148 | K | 41.8 | Very low | 42.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | trans | 64.2 | 129.7 | 138.2 | -60.2 | 172.9 | -172.4 | 170.6 | 0 | 124 | | |
| 149 | Q | 41.8 | Very low | 41.4 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | | -159.3 | 165.1 | 112 | -104.6 | 146.7 | 109.8 | 0 | 0 | 109.6 | | |
| 150 | N | 41.7 | Very low | 40.8 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | | | cis | -138.5 | -138.2 | 1.9 | -152.5 | -22.3 | 0 | 0 | 0 | 112.6 | | |
| 151 | Q | 43.9 | Very low | 40.5 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -140.6 | 146.7 | -176.5 | -62.4 | 140.3 | 111.3 | 0 | 0 | 109 | | |
| 152 | S | 40.2 | Very low | 40.2 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | cis | 89.4 | 125.1 | 22.6 | -166.2 | 0 | 0 | 0 | 0 | 116 | | |
| 153 | I | 42.6 | Very low | 39.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -139.8 | 122.4 | -179 | -94.2 | 173.2 | 0 | 0 | 0 | 113 | | |
| 154 | H | 38.9 | Very low | 39.2 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | | | trans | 68.6 | 91.8 | 153.7 | -84 | -87.2 | 0 | 0 | 0 | 124.4 | | |
| 155 | H | 35.6 | Very low | 39 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | | -32.4 | 149.4 | 129.6 | -80.1 | -66.6 | 0 | 0 | 0 | 115.6 | | |
| 156 | L | 36.5 | Very low | 38.8 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | | -177.3 | 167.2 | 111 | -101.1 | 161.1 | 0 | 0 | 0 | 115.3 | | |
| 157 | C | 37.2 | Very low | 38.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 68.8 | 94.6 | 164.9 | -78.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 158 | S | 35.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -81.9 | 146.6 | 144.6 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | K | 37.5 | Very low | 37.8 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | | | trans | 173.3 | 155.3 | 143.8 | -101.6 | 161 | -175 | 173.9 | 0 | 113.7 | | |
| 160 | K | 37.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | 77.8 | 115.5 | 173.8 | -63.2 | -166.2 | 162.4 | -72.8 | 0 | 114.7 | | |
| 161 | E | 40.3 | Very low | 37 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | | 81.4 | 123.2 | 60.4 | -72.5 | 158.2 | -143.1 | 0 | 0 | 110.9 | | |
| 162 | C | 37.5 | Very low | 36.5 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | cis | -137.1 | 145.1 | 7.4 | -82.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 163 | S | 34.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -85.9 | 165.5 | 156.5 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 164 | I | 35.7 | Very low | 35.9 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -178.3 | 113.5 | 133.4 | -95.6 | 157.6 | 0 | 0 | 0 | 112.3 | | |
| 165 | T | 36 | Very low | 35.7 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | 49.4 | 103.6 | 133.7 | -38 | 0 | 0 | 0 | 0 | 121.5 | | |
| 166 | I | 36.1 | Very low | 36.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 19.8 | 122.2 | 121.5 | -45.1 | 170.8 | 0 | 0 | 0 | 117.1 | | |
| 167 | I | 37 | Very low | 36.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | | -174.1 | 154.7 | 128.8 | -98.1 | 156.7 | 0 | 0 | 0 | 110.9 | | |
| 168 | T | 34.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -71.7 | 165.5 | -166.2 | 54.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 169 | K | 32.8 | Very low | 36.8 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | 85.4 | 109.6 | 152.7 | -76.4 | -174.2 | 176.5 | -171.2 | 0 | 121.2 | | |
| 170 | E | 33.2 | Very low | 37.1 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | | 77.6 | 143.5 | 110.2 | -147.5 | -176.1 | 165.5 | 0 | 0 | 119.8 | | |
| 171 | T | 33.5 | Very low | 37.1 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | 79.8 | 116.4 | 168 | 71.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 172 | K | 33.1 | Very low | 37 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | | 51.3 | 124.6 | 128.8 | -53.3 | 170.1 | -176.4 | 172.7 | 0 | 117 | | |
| 173 | S | 33.8 | Very low | 37.3 | Very low | 94 Ų | 94 | 152.5 Ų | 152.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | | 171.4 | 153 | 51.2 | 77.7 | 0 | 0 | 0 | 0 | 113 | | |
| 174 | K | 36.8 | Very low | 37.6 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | 61.2 | 127.1 | 142.3 | -65.4 | 171.7 | 175.9 | -175.2 | 0 | 121.2 | | |
| 175 | Q | 35.5 | Very low | 38 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | 133.5 | 143.9 | 107.4 | -146.9 | 165.1 | -7.7 | 0 | 0 | 114.8 | | |
| 176 | L | 42.5 | Very low | 38.2 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 88.7 | 135.1 | 172 | -55.2 | 166.2 | 0 | 0 | 0 | 117.2 | | |
| 177 | D | 40.5 | Very low | 38.2 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | cis | -161.2 | 111.8 | -37.1 | -146.2 | -30.6 | 0 | 0 | 0 | 111.3 | | |
| 178 | S | 43.1 | Very low | 38.4 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -157.7 | 77.3 | 159.7 | -155.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 179 | K | 42.3 | Very low | 38.4 | Very low | 175 Ų | 175 | 154 Ų | 154 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | 35.4 | 115.4 | 139.8 | -65.9 | 169.1 | -172.9 | 165.3 | 0 | 121.2 | | |
| 180 | R | 42 | Very low | 38.8 | Very low | 230 Ų | 230 | 152.3 Ų | 152.3 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | 89.7 | 80.9 | 132.5 | -67.6 | -175.5 | 171.4 | -152.4 | -0.9 | 121.3 | | |
| 181 | K | 38.5 | Very low | 39.1 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | | 59.8 | 122.4 | 116.6 | -77.8 | -166.6 | 167.3 | -163.5 | 0 | 121 | | |
| 182 | P | 38.5 | Very low | 39.4 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | -96.9 | -179.6 | 165.1 | 40.8 | -35.9 | 0 | 0 | 0 | 113.2 | | |
| 183 | F | 43 | Very low | 39.8 | Very low | 200 Ų | 200 | 153 Ų | 153 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -141.7 | 116 | 159.4 | -122.3 | -85.3 | 0 | 0 | 0 | 111.3 | | |
| 184 | I | 40.7 | Very low | 40.3 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -144 | 131.6 | 164.2 | -60.8 | 177 | 0 | 0 | 0 | 107.2 | | |
| 185 | P | 44.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -113.5 | 124.2 | 156.4 | 33.3 | -21.5 | 0 | 0 | 0 | 111.2 | | |
| 186 | R | 40.1 | Very low | 40.6 | Very low | 218 Ų | 218 | 150.1 Ų | 150.1 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | | | trans | -76.9 | 150 | 175.4 | -87.2 | -178.6 | 168.3 | 159.5 | -5.2 | 113.1 | | |
| 187 | N | 37.1 | Very low | 40.5 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 34.3 | 129.4 | 137.9 | -48.7 | 36 | 0 | 0 | 0 | 120.3 | | |
| 188 | T | 39.9 | Very low | 40.4 | Very low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | | 169.8 | 112.1 | 112.3 | 39.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 189 | S | 36.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | | 98.3 | 157.1 | 54.7 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 190 | D | 39.9 | Very low | 40.2 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 95.4 | 79.7 | 163.1 | -48.5 | 5.1 | 0 | 0 | 0 | 119 | | |
| 191 | E | 39.9 | Very low | 40.1 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | | 70.3 | 142.5 | 118.3 | -119.8 | -174.6 | 154.9 | 0 | 0 | 125.2 | | |
| 192 | M | 40.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | | | trans | 72.4 | 113.3 | 160.8 | -53.3 | -168.7 | -174.9 | 0 | 0 | 119.3 | | |
| 193 | I | 40 | Very low | 40.2 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | | | | 69.9 | 130.8 | 62.7 | -63.7 | 172.8 | 0 | 0 | 0 | 112.4 | | |
| 194 | P | 45.9 | Very low | 40.1 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | | | cis | -139.4 | 179.6 | -7.5 | 40 | -21.1 | 0 | 0 | 0 | 117.7 | | |
| 195 | N | 42.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | | | trans | 71.8 | 135.4 | 140.2 | -80.8 | 25.5 | 0 | 0 | 0 | 125 | | |
| 196 | H | 36.8 | Very low | 39.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | 88.7 | 131.1 | 138.9 | -78.8 | -47.2 | 0 | 0 | 0 | 122.6 | | |
| 197 | L | 39.8 | Very low | 39.7 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | 77.9 | 89.8 | 147.8 | -65.4 | 162.1 | 0 | 0 | 0 | 118.8 | | |
| 198 | S | 37.1 | Very low | 39.8 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | | | | 29.7 | 120.2 | 114.2 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 199 | N | 41.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | | 177.6 | 138.1 | 107.8 | -94.1 | 0.5 | 0 | 0 | 0 | 115.2 | | |
| 200 | T | 39.6 | Very low | 40.2 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | 46.2 | 111.9 | 143.4 | 63.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 201 | K | 40.3 | Very low | 40.3 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | | | | 45.1 | 128 | 118.7 | -98.4 | 173.9 | 172.6 | 174.3 | 0 | 120.8 | | |
| 202 | Y | 39.1 | Very low | 40.5 | Very low | 180 Ų | 180 | 137 Ų | 137 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | 88 | 125.7 | 141.1 | -75 | -52.8 | 0 | 0 | 0 | 124.5 | | |
| 203 | N | 40.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | | 105.7 | 124.7 | 120.8 | -84.6 | -14.6 | 0 | 0 | 0 | 123.9 | | |
| 204 | I | 40.7 | Very low | 40.7 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | | 77.7 | 97.5 | 129.4 | -66.8 | 171.2 | 0 | 0 | 0 | 119.8 | | |
| 205 | T | 40.6 | Very low | 40.7 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | | 68.6 | 110.9 | 115.1 | -48.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 206 | S | 39.9 | Very low | 40.8 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | 88.5 | 124.5 | 139.3 | 78.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 207 | V | 37.1 | Very low | 41.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | trans | 43.6 | 90.4 | 131.4 | -168.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 208 | G | 38.9 | Very low | 41.3 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | | | trans | -137.7 | 23.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 209 | K | 41.8 | Very low | 41.5 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | trans | 25.2 | 137.8 | 158 | -89.7 | 174.2 | -177.4 | 163.7 | 0 | 122.4 | | |
| 210 | I | 42.5 | Very low | 41.5 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 92.5 | 93.7 | 141 | -67.2 | 165.7 | 0 | 0 | 0 | 119.9 | | |
| 211 | D | 42.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 60% | 0.599 | 74% | 0.741 | S | S | * | * | | | | 81.8 | 147.5 | 110.7 | -148.9 | 10.9 | 0 | 0 | 0 | 122.8 | | |
| 212 | R | 42.9 | Very low | 41.4 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | 89.7 | 79.7 | 154.3 | -79.8 | 159.6 | -148.3 | -163.5 | 11 | 125.7 | | |
| 213 | K | 42.3 | Very low | 41.5 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | | | | 53.1 | 119.1 | 93.5 | -173.3 | -175.4 | -170.9 | 166.4 | 0 | 120.9 | | |
| 214 | K | 43.4 | Very low | 41.5 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -144.9 | 118.9 | 146.4 | -95.3 | 161.8 | -170.1 | 164.3 | 0 | 107.7 | | |
| 215 | R | 44.3 | Very low | 41.5 | Very low | 222 Ų | 222 | 140.6 Ų | 140.6 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | | | | 83.5 | 149 | 88.1 | -84.1 | -165.9 | -172.9 | -179 | 1.7 | 113.8 | | |
| 216 | S | 44.7 | Very low | 41.3 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | cis | 174.9 | 147.5 | -23.1 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 217 | S | 44.8 | Very low | 41.7 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | cis | 176.5 | 173.4 | -19.8 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 218 | N | 42.4 | Very low | 41.8 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | trans | 80.4 | 163.9 | 159.7 | -59.5 | -8.9 | 0 | 0 | 0 | 119.3 | | |
| 219 | A | 41.2 | Very low | 42 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 60% | 0.595 | 73% | 0.734 | S | S | * | * | | | cis | 174.4 | 175.4 | -40.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 220 | F | 41.1 | Very low | 41.9 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | | | trans | 69.5 | 149.9 | 168.7 | -71.3 | -100.6 | 0 | 0 | 0 | 118.2 | | |
| 221 | D | 41.9 | Very low | 41.9 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | cis | -165.8 | 167.7 | -26.8 | -173.7 | 39.1 | 0 | 0 | 0 | 112.7 | | |
| 222 | S | 36.8 | Very low | 41.9 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 44% | 0.441 | 74% | 0.738 | S | S | . | * | | | trans | -19.6 | 135.6 | 168.1 | 73.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 223 | K | 41.6 | Very low | 41.8 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | | 161.2 | 116.2 | 109.3 | -91.8 | 148.9 | -171.2 | 141.6 | 0 | 116 | | |
| 224 | T | 39.2 | Very low | 41.7 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | | | | 34.4 | 111.8 | 122.9 | -37.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 225 | L | 40.4 | Very low | 41.7 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | | | | -171.3 | 160 | 118.3 | -102.3 | 162.1 | 0 | 0 | 0 | 112.6 | | |
| 226 | N | 37.5 | Very low | 41.8 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | trans | -118.4 | 173.6 | -176.5 | -133.7 | -1.8 | 0 | 0 | 0 | 107.7 | | |
| 227 | P | 47.5 | Very low | 41.9 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | | | cis | -141.6 | -161.5 | -9.6 | 43.7 | -24.4 | 0 | 0 | 0 | 114.6 | | |
| 228 | Y | 39.9 | Very low | 42 | Very low | 193 Ų | 193 | 147 Ų | 147 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 90 | 122.2 | 151.1 | -101.1 | -111.2 | 0 | 0 | 0 | 122.9 | | |
| 229 | E | 42 | Very low | 42.2 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | 61.1 | 102.1 | 142.4 | -78.9 | -179.8 | 169.1 | 0 | 0 | 124.9 | | |
| 230 | S | 39.7 | Very low | 42.8 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | | 120.2 | 150.9 | 99.6 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 231 | S | 43.2 | Very low | 43.4 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | 77.3 | 113.6 | 161.7 | -145.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 232 | T | 43.7 | Very low | 44.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 48.4 | 132.6 | 137 | 56 | 0 | 0 | 0 | 0 | 120.9 | | |
| 233 | E | 40.5 | Very low | 45.5 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | cis | -157.6 | 146.8 | -2.2 | -171.3 | 177.6 | 165.7 | 0 | 0 | 108.9 | K235 | E233-K235 PolarHBondContact O-N 2.68Š|
| 234 | N | 40.8 | Very low | 47.1 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -92.4 | 99.1 | -152.6 | -166.4 | -1.2 | 0 | 0 | 0 | 115.6 | N236 | N234-N236 PolarHBondContact O-N 3.24Š|
| 235 | K | 43.1 | Very low | 48.9 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -80 | 101.9 | 160.9 | -71.6 | 177.1 | 179.8 | 171.2 | 0 | 111 | E233 | E233-K235 PolarHBondContact O-N 2.68Š|
| 236 | N | 45.5 | Very low | 50.8 | Low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -177.5 | 111.2 | 137.5 | -97.5 | -28.6 | 0 | 0 | 0 | 113.7 | N234 | N234-N236 PolarHBondContact O-N 3.24Š|
| 237 | K | 47 | Very low | 52.8 | Low | 200 Ų | 200 | 146.6 Ų | 146.6 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | | | trans | -154.6 | 35.4 | 160.9 | -125.8 | 171.3 | -172.9 | 174.5 | 0 | 113.8 | G239 | K237-G239 PolarHBondContact O-N 3.06Š|
| 238 | K | 46.3 | Very low | 54.7 | Low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 93.3 | 171.2 | -83.5 | -169.7 | 172.2 | -173.8 | 0 | 109.8 | | |
| 239 | G | 48.2 | Very low | 56.8 | Low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K237 | K237-G239 PolarHBondContact O-N 3.06Š|
| 240 | K | 52.6 | Low | 59 | Low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -85.6 | -4.1 | -177.7 | -69.8 | -157.7 | 169.4 | -159.8 | 0 | 116 | | |
| 241 | Q | 53.8 | Low | 61.2 | Low | 150 Ų | 150 | 141.4 Ų | 141.4 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -83 | -15.1 | -166.3 | -156.1 | 171.2 | 13.6 | 0 | 0 | 115.2 | | |
| 242 | K | 58 | Low | 63.4 | Low | 186 Ų | 186 | 141.9 Ų | 141.9 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.7 | -36.3 | 179.9 | -81.3 | -169.6 | 172.6 | -172.8 | 0 | 113.7 | N244 I245 | K242-N244 PolarHBondContact O-N 2.91Å; K242-I245 PolarHBondContact O-N 2.92Å |
| 243 | N | 64.6 | Low | 65.5 | Low | 118 Ų | 118 | 143.8 Ų | 143.8 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69 | -36.4 | -172.9 | -156.4 | 10.6 | 0 | 0 | 0 | 112.5 | I245 Y246 Q247 | N243-I245 VanDerWaalsContact C-N 3.29Å; N243-I245 PolarHBondContact O-N 3.29Å; N243-Y246 WeakPolarHBondContact O-CB 3.38Å; N243-Y246 PolarHBondContact O-N 3.09Å; N243-Y246 VanDerWaalsContact O-N 3.08Å; N243-Q247 PolarHBondContact O-N 3.1Å |
| 244 | N | 74.8 | Confident | 67.8 | Low | 112 Ų | 112 | 139.6 Ų | 139.6 | 60% | 0.599 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.8 | -34.6 | -179.4 | -157.8 | 25.7 | 0 | 0 | 0 | 112.8 | K242 Y246 Q247 T248 | K242-N244 PolarHBondContact O-N 2.91Å; N244-Y246 PolarHBondContact O-N 3.42Å; N244-Q247 PolarHBondContact O-N 2.84Å; N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.11Å |
| 245 | I | 78.8 | Confident | 70.1 | Confident | 118 Ų | 118 | 136.9 Ų | 136.9 | 61% | 0.605 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.1 | -27.5 | 178 | -65.3 | 163.9 | 0 | 0 | 0 | 111.7 | K242 N243 | K242-I245 PolarHBondContact O-N 2.92Å; N243-I245 VanDerWaalsContact C-N 3.29Å; N243-I245 PolarHBondContact O-N 3.29Å |
| 246 | Y | 78.8 | Confident | 72.3 | Confident | 166 Ų | 166 | 133.5 Ų | 133.5 | 65% | 0.651 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74 | -47.7 | 175.4 | -158.1 | -100.7 | 0 | 0 | 0 | 110.7 | N243 N244 T248 R249 I250 | N243-Y246 WeakPolarHBondContact O-CB 3.38Å; N243-Y246 PolarHBondContact O-N 3.09Å; N243-Y246 VanDerWaalsContact O-N 3.08Å; N244-Y246 PolarHBondContact O-N 3.42Å; Y246-T248 PolarHBondContact O-N 3.43Å; Y246-R249 WeakPolarHBondContact O-CB 3.34Å; Y246-R249 PolarHBondContact O-N 2.92Å; Y246-R249 VanDerWaalsContact O-N 3.07Å; Y246-I250 HydrophobicContact CD1-CD1 3.95Å; Y246-I250 HydrophobicContact CE1-CD1 3.92Å; Y246-I250 PolarHBondContact O-N 2.91Å |
| 247 | Q | 80 | Confident | 74.3 | Confident | 115 Ų | 115 | 133.5 Ų | 133.5 | 54% | 0.537 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -54.7 | -52.4 | 175.8 | -76.3 | -70.9 | 5.9 | 0 | 0 | 112.7 | N243 N244 R249 I250 Q251 | N243-Q247 PolarHBondContact O-N 3.1Å; N244-Q247 PolarHBondContact O-N 2.84Å; Q247-R249 PolarHBondContact O-N 3.24Å; Q247-I250 PolarHBondContact O-N 2.89Å; Q247-Q251 PolarHBondContact O-N 3.21Å |
| 248 | T | 86.6 | Confident | 76.3 | Confident | 61 Ų | 61 | 129.2 Ų | 129.2 | 37% | 0.374 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.2 | -27.6 | 178.5 | -43.2 | 0 | 0 | 0 | 0 | 112.7 | N244 Y246 M252 | N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.11Å; Y246-T248 PolarHBondContact O-N 3.43Å; T248-M252 HydrophobicContact CG2-CE 4.31Å; T248-M252 WeakPolarHBondContact O-CE 3.32Å; T248-M252 WeakPolarHBondContact O-CG 3.38Å; T248-M252 PolarHBondContact O-N 2.91Å |
| 249 | R | 85.5 | Confident | 78.2 | Confident | 185 Ų | 185 | 124.8 Ų | 124.8 | 70% | 0.698 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82 | -20.5 | -179.8 | -151.1 | -178.4 | -147.4 | 179.4 | 6 | 113.7 | Y246 Q247 | Y246-R249 WeakPolarHBondContact O-CB 3.34Å; Y246-R249 PolarHBondContact O-N 2.92Å; Y246-R249 VanDerWaalsContact O-N 3.07Å; Q247-R249 PolarHBondContact O-N 3.24Å |
| 250 | I | 87 | Confident | 80.1 | Confident | 74 Ų | 74 | 127.3 Ų | 127.3 | 38% | 0.379 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -78.1 | -47.1 | 168.3 | -62.8 | 172.5 | 0 | 0 | 0 | 108.7 | Y246 Q247 M252 K253 N254 | Y246-I250 HydrophobicContact CD1-CD1 3.95Å; Y246-I250 HydrophobicContact CE1-CD1 3.92Å; Y246-I250 PolarHBondContact O-N 2.91Å; Q247-I250 PolarHBondContact O-N 2.89Å; I250-M252 PolarHBondContact O-N 3.08Å; I250-K253 WeakPolarHBondContact O-CA 3.34Å; I250-K253 WeakPolarHBondContact O-CB 3.37Å; I250-K253 PolarHBondContact O-N 3.01Å; I250-N254 PolarHBondContact O-N 3.36Å; I250-N254 VanDerWaalsContact O-N 3.15Å; I250-N254 PolarHBondContact O-OD1 3.11Å |
| 251 | Q | 86.8 | Confident | 81.8 | Confident | 124 Ų | 124 | 124 Ų | 124 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.6 | -50.7 | -180 | -165.4 | 169.9 | 9.4 | 0 | 0 | 112.5 | Q247 K253 N254 E255 | Q247-Q251 PolarHBondContact O-N 3.21Å; Q251-K253 PolarHBondContact O-N 3.49Å; Q251-N254 PolarHBondContact O-N 3.07Å; Q251-E255 PolarHBondContact O-N 3.23Å; Q251-E255 VanDerWaalsContact O-N 3.13Å |
| 252 | M | 87.8 | Confident | 83.4 | Confident | 109 Ų | 109 | 121.2 Ų | 121.2 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.5 | -18.4 | 176.1 | -69.3 | -176.2 | -65.3 | 0 | 0 | 114.7 | T248 I250 | T248-M252 HydrophobicContact CG2-CE 4.31Å; T248-M252 WeakPolarHBondContact O-CE 3.32Å; T248-M252 WeakPolarHBondContact O-CG 3.38Å; T248-M252 PolarHBondContact O-N 2.91Å; I250-M252 PolarHBondContact O-N 3.08Å |
| 253 | K | 89 | Confident | 84.9 | Confident | 164 Ų | 164 | 119.6 Ų | 119.6 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -78.7 | -34.8 | 172 | -94.5 | -170 | 168.3 | -165.3 | 0 | 111.5 | I250 Q251 K257 | I250-K253 WeakPolarHBondContact O-CA 3.34Å; I250-K253 WeakPolarHBondContact O-CB 3.37Å; I250-K253 PolarHBondContact O-N 3.01Å; Q251-K253 PolarHBondContact O-N 3.49Å; K253-K257 PolarHBondContact O-N 3.32Å |
| 254 | N | 88.2 | Confident | 86.1 | Confident | 98 Ų | 98 | 119 Ų | 119 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.6 | -50.3 | -179.9 | -66 | 5.1 | 0 | 0 | 0 | 110.3 | I250 Q251 H256 K257 E258 | I250-N254 PolarHBondContact O-N 3.36Å; I250-N254 VanDerWaalsContact O-N 3.15Å; I250-N254 PolarHBondContact O-OD1 3.11Å; Q251-N254 PolarHBondContact O-N 3.07Å; N254-H256 PolarHBondContact O-N 3.03Å; N254-H256 VanDerWaalsContact O-N 3.1Å; N254-K257 PolarHBondContact O-N 3.03Å; N254-E258 WeakPolarHBondContact O-CB 3.34Å; N254-E258 PolarHBondContact O-N 2.89Å |
| 255 | E | 89.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 115.2 Ų | 115.2 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -50.7 | -38.8 | 174.7 | -67.6 | 173.4 | 147.9 | 0 | 0 | 112.1 | Q251 N259 | Q251-E255 PolarHBondContact O-N 3.23Å; Q251-E255 VanDerWaalsContact O-N 3.13Å; E255-N259 WeakPolarHBondContact O-CB 3.36Å; E255-N259 PolarHBondContact O-N 3.47Å; E255-N259 PolarHBondContact O-ND2 3.23Å |
| 256 | H | 88.8 | Confident | 87.1 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -75.1 | -27.7 | 179.5 | -169.3 | 62.3 | 0 | 0 | 0 | 114 | N254 Q260 | N254-H256 PolarHBondContact O-N 3.03Å; N254-H256 VanDerWaalsContact O-N 3.1Å; H256-Q260 PolarHBondContact CD2-NE2 3.02Å; H256-Q260 PolarHBondContact NE2-NE2 3.11Å; H256-Q260 WeakPolarHBondContact O-CG 3.34Å |
| 257 | K | 88.2 | Confident | 87.6 | Confident | 144 Ų | 144 | 111.1 Ų | 111.1 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -76.7 | -39.1 | 174.8 | -168 | -178.9 | -179.7 | -172.3 | 0 | 110.7 | K253 N254 Q260 R261 | K253-K257 PolarHBondContact O-N 3.32Å; N254-K257 PolarHBondContact O-N 3.03Å; K257-Q260 PolarHBondContact O-N 2.77Å; K257-R261 PolarHBondContact O-N 3.39Å |
| 258 | E | 88.2 | Confident | 88 | Confident | 111 Ų | 111 | 109.9 Ų | 109.9 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 175.9 | -172.6 | 171.8 | -163.3 | 0 | 0 | 111.9 | N254 Q260 R261 I262 | N254-E258 WeakPolarHBondContact O-CB 3.34Å; N254-E258 PolarHBondContact O-N 2.89Å; E258-Q260 PolarHBondContact O-N 3.49Å; E258-R261 WeakPolarHBondContact O-CB 3.48Å; E258-R261 PolarHBondContact O-N 2.9Å; E258-I262 PolarHBondContact O-N 2.87Å |
| 259 | N | 87 | Confident | 87.9 | Confident | 108 Ų | 108 | 112.2 Ų | 112.2 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -14.3 | 173.7 | -85.3 | -96.9 | 0 | 0 | 0 | 114.5 | E255 | E255-N259 WeakPolarHBondContact O-CB 3.36Å; E255-N259 PolarHBondContact O-N 3.47Å; E255-N259 PolarHBondContact O-ND2 3.23Å |
| 260 | Q | 88.2 | Confident | 87.9 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -89.6 | -25.4 | 172.1 | -70.3 | -174.9 | 32.2 | 0 | 0 | 113.2 | H256 K257 E258 | H256-Q260 PolarHBondContact CD2-NE2 3.02Å; H256-Q260 PolarHBondContact NE2-NE2 3.11Å; H256-Q260 WeakPolarHBondContact O-CG 3.34Å; K257-Q260 PolarHBondContact O-N 2.77Å; E258-Q260 PolarHBondContact O-N 3.49Å |
| 261 | R | 87.6 | Confident | 87.8 | Confident | 123 Ų | 123 | 110 Ų | 110 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -64.4 | 173.4 | -76.1 | -178.9 | 161.6 | 176.1 | -10.4 | 110.7 | K257 E258 K263 K264 D265 | K257-R261 PolarHBondContact O-N 3.39Å; E258-R261 WeakPolarHBondContact O-CB 3.48Å; E258-R261 PolarHBondContact O-N 2.9Å; R261-K263 CarbonylContact O-C 3.11Å; R261-K263 PolarHBondContact O-N 3.5Å; R261-K264 WeakPolarHBondContact O-CA 3.09Å; R261-K264 VanDerWaalsContact O-CB 3.26Å; R261-K264 WeakPolarHBondContact O-CB 3.48Å; R261-K264 PolarHBondContact O-N 3.13Å; R261-D265 PolarHBondContact O-N 3.4Å; R261-D265 VanDerWaalsContact O-N 3.12Å |
| 262 | I | 88.4 | Confident | 87.6 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -40.2 | -40.4 | 179.7 | -59.3 | 168.3 | 0 | 0 | 0 | 112.9 | E258 D265 T266 | E258-I262 PolarHBondContact O-N 2.87Å; I262-D265 PolarHBondContact N-OD2 3.42Å; I262-D265 PolarHBondContact O-N 2.82Å; I262-T266 WeakPolarHBondContact O-CB 3.5Å; I262-T266 PolarHBondContact O-N 3.33Å; I262-T266 PolarHBondContact O-OG1 3.44Å |
| 263 | K | 88.7 | Confident | 87.5 | Confident | 151 Ų | 151 | 111 Ų | 111 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.4 | -32.3 | 179 | -170.2 | 175.4 | 179.7 | -177.1 | 0 | 115.4 | R261 I267 | R261-K263 CarbonylContact O-C 3.11Å; R261-K263 PolarHBondContact O-N 3.5Å; K263-I267 WeakPolarHBondContact O-CD1 3.09Å; K263-I267 WeakPolarHBondContact O-CG1 3.35Å |
| 264 | K | 89.3 | Confident | 87.2 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 46% | 0.457 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 169.7 | -175.2 | -161.9 | 179 | -161.2 | 0 | 109.9 | R261 I267 K268 D1008 | R261-K264 WeakPolarHBondContact O-CA 3.09Å; R261-K264 VanDerWaalsContact O-CB 3.26Å; R261-K264 WeakPolarHBondContact O-CB 3.48Å; R261-K264 PolarHBondContact O-N 3.13Å; K264-I267 WeakPolarHBondContact O-CA 3.45Å; K264-I267 WeakPolarHBondContact O-CB 3.18Å; K264-I267 PolarHBondContact O-N 3.46Å; K264-K268 PolarHBondContact O-N 3.44Å; K264-K268 VanDerWaalsContact O-N 3.17Å; K264-D1008 IonicContact NZ-OD2 2.81Å; K264-D1008 PolarHBondContact NZ-OD2 2.98Å |
| 265 | D | 88.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 110.2 Ų | 110.2 | 18% | 0.182 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -79.3 | -36 | -166.5 | -46.1 | -30.1 | 0 | 0 | 0 | 110.4 | R261 I262 I267 K268 N269 | R261-D265 PolarHBondContact O-N 3.4Å; R261-D265 VanDerWaalsContact O-N 3.12Å; I262-D265 PolarHBondContact N-OD2 3.42Å; I262-D265 PolarHBondContact O-N 2.82Å; D265-I267 PolarHBondContact O-N 2.81Å; D265-I267 VanDerWaalsContact O-N 3.14Å; D265-K268 PolarHBondContact O-N 2.85Å; D265-N269 PolarHBondContact O-N 2.88Å; D265-N269 VanDerWaalsContact O-N 3.12Å |
| 266 | T | 86.6 | Confident | 86.2 | Confident | 87 Ų | 87 | 110.2 Ų | 110.2 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -50.7 | -33.6 | 163.2 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | I262 V270 | I262-T266 WeakPolarHBondContact O-CB 3.5Å; I262-T266 PolarHBondContact O-N 3.33Å; I262-T266 PolarHBondContact O-OG1 3.44Å; T266-V270 WeakPolarHBondContact O-CG2 3.18Å |
| 267 | I | 89.7 | Confident | 85.6 | Confident | 111 Ų | 111 | 112 Ų | 112 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -81.1 | -41.2 | -179.5 | -63.6 | 168.5 | 0 | 0 | 0 | 110.9 | K263 K264 D265 N269 V270 E271 | K263-I267 WeakPolarHBondContact O-CD1 3.09Å; K263-I267 WeakPolarHBondContact O-CG1 3.35Å; K264-I267 WeakPolarHBondContact O-CA 3.45Å; K264-I267 WeakPolarHBondContact O-CB 3.18Å; K264-I267 PolarHBondContact O-N 3.46Å; D265-I267 PolarHBondContact O-N 2.81Å; D265-I267 VanDerWaalsContact O-N 3.14Å; I267-N269 PolarHBondContact O-N 3.32Å; I267-V270 PolarHBondContact O-N 2.8Å; I267-E271 PolarHBondContact O-N 2.85Å |
| 268 | K | 86.7 | Confident | 85.1 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 39% | 0.387 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55 | -48.1 | 174.2 | -81 | -175.3 | 166.7 | -172.8 | 0 | 111.9 | K264 D265 V270 E271 N272 D1008 | K264-K268 PolarHBondContact O-N 3.44Å; K264-K268 VanDerWaalsContact O-N 3.17Å; D265-K268 PolarHBondContact O-N 2.85Å; K268-V270 VanDerWaalsContact C-N 3.34Å; K268-V270 PolarHBondContact O-N 2.85Å; K268-E271 PolarHBondContact O-N 3.38Å; K268-E271 VanDerWaalsContact O-N 3.08Å; K268-N272 PolarHBondContact O-N 3.01Å; K268-N272 VanDerWaalsContact O-N 3.08Å; K268-D1008 IonicContact NZ-OD1 3.94Å; K268-D1008 PolarHBondContact NZ-OD1 3.08Å; K268-D1008 IonicContact NZ-OD2 3.61Å; K268-D1008 PolarHBondContact NZ-OD2 2.96Å; K268-D1008 VanDerWaalsContact NZ-OD2 3.1Å |
| 269 | N | 85.5 | Confident | 84.3 | Confident | 110 Ų | 110 | 112.7 Ų | 112.7 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | -175.3 | -165.5 | -32.4 | 0 | 0 | 0 | 112.1 | D265 I267 E271 N272 K273 | D265-N269 PolarHBondContact O-N 2.88Å; D265-N269 VanDerWaalsContact O-N 3.12Å; I267-N269 PolarHBondContact O-N 3.32Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 PolarHBondContact O-N 3.12Å; N269-N272 PolarHBondContact O-N 3.11Å; N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.09Å |
| 270 | V | 86.1 | Confident | 83.5 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -33.7 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 112.6 | T266 I267 K268 | T266-V270 WeakPolarHBondContact O-CG2 3.18Å; I267-V270 PolarHBondContact O-N 2.8Å; K268-V270 VanDerWaalsContact C-N 3.34Å; K268-V270 PolarHBondContact O-N 2.85Å |
| 271 | E | 85.4 | Confident | 82.9 | Confident | 112 Ų | 112 | 113.8 Ų | 113.8 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.2 | -43.9 | 177.7 | -163.2 | -175.3 | 129.3 | 0 | 0 | 112.2 | I267 K268 N269 K273 H274 K275 | I267-E271 PolarHBondContact O-N 2.85Å; K268-E271 PolarHBondContact O-N 3.38Å; K268-E271 VanDerWaalsContact O-N 3.08Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 PolarHBondContact O-N 3.12Å; E271-K273 VanDerWaalsContact C-N 3.34Å; E271-K273 PolarHBondContact O-N 3.29Å; E271-H274 WeakPolarHBondContact O-CA 3.4Å; E271-H274 WeakPolarHBondContact O-CB 3.37Å; E271-H274 PolarHBondContact O-N 3.36Å; E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 VanDerWaalsContact OE1-CE 3.23Å; E271-K275 WeakPolarHBondContact OE1-CE 3.3Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å |
| 272 | N | 82.3 | Confident | 82 | Confident | 93 Ų | 93 | 114.3 Ų | 114.3 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -41.7 | 177.9 | -82.3 | -2.3 | 0 | 0 | 0 | 111.9 | K268 N269 H274 K275 T276 | K268-N272 PolarHBondContact O-N 3.01Å; K268-N272 VanDerWaalsContact O-N 3.08Å; N269-N272 PolarHBondContact O-N 3.11Å; N272-H274 PolarHBondContact O-N 3.2Å; N272-K275 PolarHBondContact O-N 3.33Å; N272-T276 PolarHBondContact O-N 3.27Å; N272-T276 PolarHBondContact O-OG1 3.48Å |
| 273 | K | 85 | Confident | 81 | Confident | 163 Ų | 163 | 116 Ų | 116 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.5 | -18.6 | 174.7 | -159.1 | 157.5 | -167.7 | 153.9 | 0 | 113.5 | N269 E271 | N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.09Å; E271-K273 VanDerWaalsContact C-N 3.34Å; E271-K273 PolarHBondContact O-N 3.29Å |
| 274 | H | 82.4 | Confident | 80.3 | Confident | 137 Ų | 137 | 114 Ų | 114 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -87.2 | -28.8 | 171.8 | -115.3 | -59.3 | 0 | 0 | 0 | 113.8 | E271 N272 | E271-H274 WeakPolarHBondContact O-CA 3.4Å; E271-H274 WeakPolarHBondContact O-CB 3.37Å; E271-H274 PolarHBondContact O-N 3.36Å; N272-H274 PolarHBondContact O-N 3.2Å |
| 275 | K | 81.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 117 Ų | 117 | 47% | 0.47 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73 | -47.1 | 177.2 | -71.4 | 173.4 | -176.5 | 156.8 | 0 | 112.3 | E271 N272 K277 N278 K279 | E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 VanDerWaalsContact OE1-CE 3.23Å; E271-K275 WeakPolarHBondContact OE1-CE 3.3Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å; N272-K275 PolarHBondContact O-N 3.33Å; K275-K277 PolarHBondContact O-N 3.35Å; K275-N278 WeakPolarHBondContact O-CB 3.31Å; K275-N278 PolarHBondContact O-N 2.55Å; K275-K279 PolarHBondContact O-N 2.96Å |
| 276 | T | 75.6 | Confident | 78.8 | Confident | 96 Ų | 96 | 121.9 Ų | 121.9 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.1 | -36.5 | -179.1 | -40.6 | 0 | 0 | 0 | 0 | 112 | N272 N278 K279 L280 | N272-T276 PolarHBondContact O-N 3.27Å; N272-T276 PolarHBondContact O-OG1 3.48Å; T276-N278 PolarHBondContact O-N 3.41Å; T276-K279 PolarHBondContact O-N 2.83Å; T276-L280 PolarHBondContact O-N 2.83Å |
| 277 | K | 77.1 | Confident | 78.1 | Confident | 157 Ų | 157 | 121.7 Ų | 121.7 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -14.4 | 179 | -137 | 164 | -169.3 | 164.5 | 0 | 114.5 | K275 N281 | K275-K277 PolarHBondContact O-N 3.35Å; K277-N281 PolarHBondContact O-ND2 3.4Å |
| 278 | N | 76.4 | Confident | 77.6 | Confident | 112 Ų | 112 | 121.3 Ų | 121.3 | 60% | 0.599 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88.7 | -46.8 | 170.6 | -73.5 | -14.9 | 0 | 0 | 0 | 111.9 | K275 T276 L280 N281 | K275-N278 WeakPolarHBondContact O-CB 3.31Å; K275-N278 PolarHBondContact O-N 2.55Å; T276-N278 PolarHBondContact O-N 3.41Å; N278-L280 VanDerWaalsContact C-N 3.25Å; N278-L280 PolarHBondContact O-N 3.36Å; N278-N281 WeakPolarHBondContact O-CB 3.32Å; N278-N281 PolarHBondContact O-N 2.67Å |
| 279 | K | 72.4 | Confident | 77.2 | Confident | 158 Ų | 158 | 121.1 Ų | 121.1 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.2 | -42.1 | 179.2 | -81.9 | -168.4 | 173 | -173.4 | 0 | 112.3 | K275 T276 N281 E282 | K275-K279 PolarHBondContact O-N 2.96Å; T276-K279 PolarHBondContact O-N 2.83Å; K279-N281 PolarHBondContact O-N 3.15Å; K279-N281 VanDerWaalsContact O-N 3.07Å; K279-E282 PolarHBondContact O-N 3.29Å |
| 280 | L | 70.7 | Confident | 76.6 | Confident | 138 Ų | 138 | 121.2 Ų | 121.2 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.6 | -24.2 | -179.8 | -147.9 | 82.3 | 0 | 0 | 0 | 114.1 | T276 N278 | T276-L280 PolarHBondContact O-N 2.83Å; N278-L280 VanDerWaalsContact C-N 3.25Å; N278-L280 PolarHBondContact O-N 3.36Å |
| 281 | N | 73.7 | Confident | 76.3 | Confident | 115 Ų | 115 | 123 Ų | 123 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82.5 | -20 | 177.2 | -74.4 | -69.6 | 0 | 0 | 0 | 113.4 | K277 N278 K279 | K277-N281 PolarHBondContact O-ND2 3.4Å; N278-N281 WeakPolarHBondContact O-CB 3.32Å; N278-N281 PolarHBondContact O-N 2.67Å; K279-N281 PolarHBondContact O-N 3.15Å; K279-N281 VanDerWaalsContact O-N 3.07Å |
| 282 | E | 70.1 | Confident | 75.9 | Confident | 134 Ų | 134 | 126.3 Ų | 126.3 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -84.6 | -39.4 | -176.2 | -63.3 | -170.1 | 118.1 | 0 | 0 | 112.2 | K279 N284 Y285 H286 | K279-E282 PolarHBondContact O-N 3.29Å; E282-N284 VanDerWaalsContact C-N 3.27Å; E282-N284 PolarHBondContact O-N 3.02Å; E282-Y285 WeakPolarHBondContact O-CA 3.1Å; E282-Y285 VanDerWaalsContact O-CB 3.23Å; E282-Y285 WeakPolarHBondContact O-CB 3.34Å; E282-Y285 PolarHBondContact O-N 2.99Å; E282-H286 PolarHBondContact O-N 3.02Å; E282-H286 VanDerWaalsContact O-N 3.15Å |
| 283 | N | 67.7 | Low | 75.5 | Confident | 126 Ų | 126 | 124.3 Ų | 124.3 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.2 | -38.1 | 175.4 | -71.5 | 4.3 | 0 | 0 | 0 | 111.9 | Y285 H286 N287 | N283-Y285 PolarHBondContact O-N 3.21Å; N283-H286 PolarHBondContact O-N 3.28Å; N283-N287 PolarHBondContact O-N 3.16Å |
| 284 | N | 74 | Confident | 75 | Confident | 109 Ų | 109 | 121.8 Ų | 121.8 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -23.8 | 175.5 | -149.1 | -32.3 | 0 | 0 | 0 | 112.4 | E282 N288 | E282-N284 VanDerWaalsContact C-N 3.27Å; E282-N284 PolarHBondContact O-N 3.02Å; N284-N288 PolarHBondContact O-ND2 2.9Å |
| 285 | Y | 73.8 | Confident | 74.7 | Confident | 170 Ų | 170 | 119 Ų | 119 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.3 | -40.6 | 172.3 | -154.2 | -90.5 | 0 | 0 | 0 | 112 | E282 N283 N288 I289 | E282-Y285 WeakPolarHBondContact O-CA 3.1Å; E282-Y285 VanDerWaalsContact O-CB 3.23Å; E282-Y285 WeakPolarHBondContact O-CB 3.34Å; E282-Y285 PolarHBondContact O-N 2.99Å; N283-Y285 PolarHBondContact O-N 3.21Å; Y285-N288 WeakPolarHBondContact O-CB 3.29Å; Y285-N288 PolarHBondContact O-N 3.49Å; Y285-I289 HydrophobicContact CD1-CD1 3.86Å; Y285-I289 HydrophobicContact CD1-CG1 4.33Å; Y285-I289 HydrophobicContact CE1-CD1 4Å; Y285-I289 HydrophobicContact CE1-CG1 4.42Å; Y285-I289 PolarHBondContact O-N 3.23Å |
| 286 | H | 71.6 | Confident | 74.5 | Confident | 136 Ų | 136 | 120 Ų | 120 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -45.5 | -178.8 | -126.6 | 95.6 | 0 | 0 | 0 | 112.5 | E282 N283 N288 I289 E290 | E282-H286 PolarHBondContact O-N 3.02Å; E282-H286 VanDerWaalsContact O-N 3.15Å; N283-H286 PolarHBondContact O-N 3.28Å; H286-N288 PolarHBondContact O-N 3.41Å; H286-N288 VanDerWaalsContact O-N 3.17Å; H286-I289 WeakPolarHBondContact O-CA 3.26Å; H286-I289 WeakPolarHBondContact O-CB 3.47Å; H286-I289 PolarHBondContact O-N 2.78Å; H286-E290 PolarHBondContact O-N 2.81Å; H286-E290 VanDerWaalsContact O-N 3.15Å |
| 287 | N | 72.7 | Confident | 74.4 | Confident | 83 Ų | 83 | 119.7 Ų | 119.7 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.7 | -31 | 177.2 | -154.9 | -62.4 | 0 | 0 | 0 | 112 | N283 K291 | N283-N287 PolarHBondContact O-N 3.16Å; N287-K291 PolarHBondContact O-N 2.6Å; N287-K291 WeakPolarHBondContact OD1-CE 3.28Å; N287-K291 PolarHBondContact OD1-NZ 3.41Å |
| 288 | N | 78 | Confident | 74.3 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76 | -25 | 173.2 | -88.3 | -75.1 | 0 | 0 | 0 | 114.3 | N284 Y285 H286 R292 | N284-N288 PolarHBondContact O-ND2 2.9Å; Y285-N288 WeakPolarHBondContact O-CB 3.29Å; Y285-N288 PolarHBondContact O-N 3.49Å; H286-N288 PolarHBondContact O-N 3.41Å; H286-N288 VanDerWaalsContact O-N 3.17Å; N288-R292 WeakPolarHBondContact O-CB 3.49Å |
| 289 | I | 78.6 | Confident | 74.5 | Confident | 85 Ų | 85 | 118.8 Ų | 118.8 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.1 | -42.9 | 173 | -68.5 | 171.1 | 0 | 0 | 0 | 110.1 | Y285 H286 R292 A293 | Y285-I289 HydrophobicContact CD1-CD1 3.86Å; Y285-I289 HydrophobicContact CD1-CG1 4.33Å; Y285-I289 HydrophobicContact CE1-CD1 4Å; Y285-I289 HydrophobicContact CE1-CG1 4.42Å; Y285-I289 PolarHBondContact O-N 3.23Å; H286-I289 WeakPolarHBondContact O-CA 3.26Å; H286-I289 WeakPolarHBondContact O-CB 3.47Å; H286-I289 PolarHBondContact O-N 2.78Å; I289-R292 CarbonylContact O-C 3.58Å; I289-R292 WeakPolarHBondContact O-CA 3.06Å; I289-R292 VanDerWaalsContact O-CB 3.3Å; I289-R292 WeakPolarHBondContact O-CB 3.22Å; I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.13Å; I289-A293 PolarHBondContact O-N 3.13Å |
| 290 | E | 74.2 | Confident | 74.6 | Confident | 112 Ų | 112 | 119.5 Ų | 119.5 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -47.6 | -174.4 | -163.4 | -168.9 | 159.5 | 0 | 0 | 113 | H286 R292 A293 Q294 | H286-E290 PolarHBondContact O-N 2.81Å; H286-E290 VanDerWaalsContact O-N 3.15Å; E290-R292 PolarHBondContact O-N 2.9Å; E290-A293 WeakPolarHBondContact O-CA 3.29Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.9Å; E290-Q294 PolarHBondContact O-N 3.24Å; E290-Q294 PolarHBondContact OE1-NE2 2.95Å |
| 291 | K | 78.8 | Confident | 74.7 | Confident | 135 Ų | 135 | 115.3 Ų | 115.3 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -53.7 | -29.2 | 171.2 | -76.4 | 165.2 | 175.3 | 152.6 | 0 | 111.8 | N287 S295 | N287-K291 PolarHBondContact O-N 2.6Å; N287-K291 WeakPolarHBondContact OD1-CE 3.28Å; N287-K291 PolarHBondContact OD1-NZ 3.41Å; K291-S295 WeakPolarHBondContact O-CB 3.33Å; K291-S295 PolarHBondContact O-N 2.96Å |
| 292 | R | 77.6 | Confident | 74.8 | Confident | 182 Ų | 182 | 113.4 Ų | 113.4 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -85.4 | -12.9 | 175.9 | -153.4 | 178.4 | -166.3 | -172.3 | 7.6 | 114.2 | N288 I289 E290 K296 | N288-R292 WeakPolarHBondContact O-CB 3.49Å; I289-R292 CarbonylContact O-C 3.58Å; I289-R292 WeakPolarHBondContact O-CA 3.06Å; I289-R292 VanDerWaalsContact O-CB 3.3Å; I289-R292 WeakPolarHBondContact O-CB 3.22Å; I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.13Å; E290-R292 PolarHBondContact O-N 2.9Å; R292-K296 VanDerWaalsContact O-CD 3.26Å; R292-K296 WeakPolarHBondContact O-CD 3.27Å; R292-K296 WeakPolarHBondContact O-CE 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.43Å |
| 293 | A | 72.7 | Confident | 75.2 | Confident | 51 Ų | 51 | 114.6 Ų | 114.6 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -86.4 | -51.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I289 E290 S295 K296 N297 | I289-A293 PolarHBondContact O-N 3.13Å; E290-A293 WeakPolarHBondContact O-CA 3.29Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.9Å; A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3.28Å; A293-K296 WeakPolarHBondContact O-CB 3.22Å; A293-K296 PolarHBondContact O-N 3.02Å; A293-N297 PolarHBondContact O-N 3.04Å |
| 294 | Q | 75 | Confident | 75.5 | Confident | 110 Ų | 110 | 112.6 Ų | 112.6 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -52.9 | -49.8 | 176.7 | -64.3 | 178.6 | 3.6 | 0 | 0 | 111 | E290 K296 N297 T298 | E290-Q294 PolarHBondContact O-N 3.24Å; E290-Q294 PolarHBondContact OE1-NE2 2.95Å; Q294-K296 PolarHBondContact O-N 2.98Å; Q294-K296 VanDerWaalsContact O-N 3.08Å; Q294-N297 PolarHBondContact O-N 3.16Å; Q294-T298 PolarHBondContact O-N 3.5Å; Q294-T298 PolarHBondContact O-OG1 3.37Å |
| 295 | S | 76 | Confident | 75.4 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -54.7 | -28.6 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 114.7 | K291 A293 K299 | K291-S295 WeakPolarHBondContact O-CB 3.33Å; K291-S295 PolarHBondContact O-N 2.96Å; A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3.28Å; S295-K299 WeakPolarHBondContact O-CB 3.08Å |
| 296 | K | 78.1 | Confident | 75.2 | Confident | 130 Ų | 130 | 107.5 Ų | 107.5 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -79 | -31.9 | 176.1 | -68.3 | 166.7 | -172.6 | 161.5 | 0 | 112.4 | R292 A293 Q294 R300 | R292-K296 VanDerWaalsContact O-CD 3.26Å; R292-K296 WeakPolarHBondContact O-CD 3.27Å; R292-K296 WeakPolarHBondContact O-CE 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.43Å; A293-K296 WeakPolarHBondContact O-CB 3.22Å; A293-K296 PolarHBondContact O-N 3.02Å; Q294-K296 PolarHBondContact O-N 2.98Å; Q294-K296 VanDerWaalsContact O-N 3.08Å; K296-R300 PolarHBondContact O-N 3.39Å |
| 297 | N | 73.1 | Confident | 75 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.6 | -44.9 | 179.5 | -105.7 | 3.5 | 0 | 0 | 0 | 111.8 | A293 Q294 K299 R300 E301 | A293-N297 PolarHBondContact O-N 3.04Å; Q294-N297 PolarHBondContact O-N 3.16Å; N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.15Å; N297-R300 WeakPolarHBondContact O-CA 3.43Å; N297-R300 WeakPolarHBondContact O-CB 3.45Å; N297-R300 PolarHBondContact O-N 3.39Å; N297-E301 PolarHBondContact O-N 3.49Å |
| 298 | T | 75.7 | Confident | 74.4 | Confident | 83 Ų | 83 | 110 Ų | 110 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.7 | -38 | 173.8 | -30.1 | 0 | 0 | 0 | 0 | 111.5 | Q294 R300 E301 I302 | Q294-T298 PolarHBondContact O-N 3.5Å; Q294-T298 PolarHBondContact O-OG1 3.37Å; T298-R300 VanDerWaalsContact C-N 3.31Å; T298-R300 PolarHBondContact O-N 2.94Å; T298-E301 PolarHBondContact O-N 3.14Å; T298-I302 HydrophobicContact CG2-CD1 4.19Å; T298-I302 WeakPolarHBondContact O-CG1 3.23Å; T298-I302 PolarHBondContact O-N 3.02Å |
| 299 | K | 79 | Confident | 73.5 | Confident | 167 Ų | 167 | 108.3 Ų | 108.3 | 73% | 0.726 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.8 | -15.3 | 178.5 | -155 | 165.5 | -169.3 | 165 | 0 | 114.2 | S295 N297 | S295-K299 WeakPolarHBondContact O-CB 3.08Å; N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.15Å |
| 300 | R | 74.5 | Confident | 72.4 | Confident | 173 Ų | 173 | 112.2 Ų | 112.2 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -86.9 | -43.2 | 168.6 | -75.5 | 174 | 166.7 | -175.8 | -4.6 | 111.1 | K296 N297 T298 K303 K304 | K296-R300 PolarHBondContact O-N 3.39Å; N297-R300 WeakPolarHBondContact O-CA 3.43Å; N297-R300 WeakPolarHBondContact O-CB 3.45Å; N297-R300 PolarHBondContact O-N 3.39Å; T298-R300 VanDerWaalsContact C-N 3.31Å; T298-R300 PolarHBondContact O-N 2.94Å; R300-K303 CarbonylContact O-C 3.56Å; R300-K303 WeakPolarHBondContact O-CB 3.21Å; R300-K303 PolarHBondContact O-N 2.82Å; R300-K303 VanDerWaalsContact O-N 3.11Å; R300-K304 PolarHBondContact O-N 3.26Å |
| 301 | E | 73.8 | Confident | 71.1 | Confident | 49 Ų | 49 | 112.4 Ų | 112.4 | 23% | 0.229 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -57.9 | -54.4 | 176.3 | -81.7 | -57.1 | 109.6 | 0 | 0 | 112.4 | N297 T298 K303 K304 I305 | N297-E301 PolarHBondContact O-N 3.49Å; T298-E301 PolarHBondContact O-N 3.14Å; E301-K303 PolarHBondContact O-N 3.48Å; E301-K304 WeakPolarHBondContact O-CB 3.42Å; E301-K304 PolarHBondContact O-N 2.85Å; E301-K304 WeakPolarHBondContact OE1-CD 3.39Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; E301-I305 PolarHBondContact O-N 3.42Å |
| 302 | I | 76.4 | Confident | 69.5 | Low | 76 Ų | 76 | 115 Ų | 115 | 39% | 0.39 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.7 | -24.6 | 177.1 | -66.1 | 167.4 | 0 | 0 | 0 | 111.7 | T298 R306 | T298-I302 HydrophobicContact CG2-CD1 4.19Å; T298-I302 WeakPolarHBondContact O-CG1 3.23Å; T298-I302 PolarHBondContact O-N 3.02Å; I302-R306 VanDerWaalsContact O-CB 3.31Å; I302-R306 WeakPolarHBondContact O-CB 3.33Å |
| 303 | K | 77.7 | Confident | 68 | Low | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -88.3 | -20.7 | 176.8 | -163.8 | 174.5 | -178.3 | -179.3 | 0 | 114 | R300 E301 | R300-K303 CarbonylContact O-C 3.56Å; R300-K303 WeakPolarHBondContact O-CB 3.21Å; R300-K303 PolarHBondContact O-N 2.82Å; R300-K303 VanDerWaalsContact O-N 3.11Å; E301-K303 PolarHBondContact O-N 3.48Å |
| 304 | K | 74 | Confident | 66.5 | Low | 85 Ų | 85 | 118.8 Ų | 118.8 | 37% | 0.37 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.8 | -48.7 | 170.3 | -74.1 | -177.8 | -168.3 | 157.1 | 0 | 111.2 | R300 E301 R306 K307 R308 | R300-K304 PolarHBondContact O-N 3.26Å; E301-K304 WeakPolarHBondContact O-CB 3.42Å; E301-K304 PolarHBondContact O-N 2.85Å; E301-K304 WeakPolarHBondContact OE1-CD 3.39Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; K304-R306 VanDerWaalsContact C-N 3.27Å; K304-R306 PolarHBondContact O-N 3.09Å; K304-K307 WeakPolarHBondContact O-CA 3.45Å; K304-K307 WeakPolarHBondContact O-CB 3.15Å; K304-K307 PolarHBondContact O-N 2.82Å; K304-R308 PolarHBondContact O-N 2.95Å |
| 305 | I | 72.6 | Confident | 65 | Low | 16 Ų | 16 | 121 Ų | 121 | 8% | 0.082 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -64.3 | -39.2 | -176.5 | -46.5 | 164.6 | 0 | 0 | 0 | 109.5 | T103 T104 E301 K307 R308 D309 | T103-I305 HydrophobicContact CG2-CB 3.81Å; T103-I305 HydrophobicContact CG2-CD1 3.92Å; T103-I305 HydrophobicContact CG2-CG1 4.48Å; T103-I305 HydrophobicContact CG2-CG2 3.38Å; T104-I305 VanDerWaalsContact OG1-C 3.31Å; T104-I305 PolarHBondContact OG1-O 3.43Å; E301-I305 PolarHBondContact O-N 3.42Å; I305-K307 PolarHBondContact O-N 3.48Å; I305-R308 PolarHBondContact O-N 3.36Å; I305-D309 WeakPolarHBondContact CG2-OD2 3.44Å; I305-D309 VanDerWaalsContact O-OD2 3.11Å |
| 306 | R | 69 | Low | 63.4 | Low | 155 Ų | 155 | 126.5 Ų | 126.5 | 59% | 0.585 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | 7.6 | 171.1 | -138.1 | 177.6 | -162.3 | 154.2 | 10 | 116.2 | T104 T105 I302 K304 | T104-R306 HydrophobicContact CG2-CB 4.43Å; T104-R306 HydrophobicContact CG2-CG 3.92Å; T104-R306 WeakPolarHBondContact OG1-CA 3.36Å; T104-R306 PolarHBondContact OG1-N 3.33Å; T105-R306 WeakPolarHBondContact OG1-CG 3.49Å; T105-R306 PolarHBondContact OG1-NE 3.2Å; I302-R306 VanDerWaalsContact O-CB 3.31Å; I302-R306 WeakPolarHBondContact O-CB 3.33Å; K304-R306 VanDerWaalsContact C-N 3.27Å; K304-R306 PolarHBondContact O-N 3.09Å |
| 307 | K | 66.9 | Low | 61.6 | Low | 171 Ų | 171 | 129 Ų | 129 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -121.5 | -11.3 | 170.5 | -85.6 | -169 | 164.8 | -160 | 0 | 114.3 | K304 I305 | K304-K307 WeakPolarHBondContact O-CA 3.45Å; K304-K307 WeakPolarHBondContact O-CB 3.15Å; K304-K307 PolarHBondContact O-N 2.82Å; I305-K307 PolarHBondContact O-N 3.48Å |
| 308 | R | 60.3 | Low | 59.9 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 39% | 0.385 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -89.1 | -40.4 | 177.2 | -69.7 | -163.8 | -178.5 | 115.7 | -10.1 | 112.4 | N28 K304 I305 K310 | N28-R308 PolarHBondContact O-NH1 3.4Å; K304-R308 PolarHBondContact O-N 2.95Å; I305-R308 PolarHBondContact O-N 3.36Å; R308-K310 PolarHBondContact O-N 3.23Å |
| 309 | D | 59.9 | Low | 58.3 | Low | 67 Ų | 67 | 130.3 Ų | 130.3 | 36% | 0.358 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | 57.7 | -176.5 | -35 | -51.9 | 0 | 0 | 0 | 111.7 | T104 I305 | T104-D309 WeakPolarHBondContact CB-OD2 3.35Å; T104-D309 HydrophobicContact CG2-CB 3.74Å; T104-D309 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D309 PolarHBondContact OG1-OD2 3.34Å; I305-D309 WeakPolarHBondContact CG2-OD2 3.44Å; I305-D309 VanDerWaalsContact O-OD2 3.11Å |
| 310 | K | 55.1 | Low | 56.7 | Low | 166 Ų | 166 | 129.9 Ų | 129.9 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 1.9 | -175.1 | -137.6 | -171.4 | 174.8 | -175.6 | 0 | 118 | R308 | R308-K310 PolarHBondContact O-N 3.23Š|
| 311 | T | 47.8 | Very low | 55.2 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -157.9 | 133.1 | 173.8 | 15.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 312 | E | 44.1 | Very low | 53.7 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 62.5 | 134.8 | -178.3 | -66.5 | 170.8 | 115.8 | 0 | 0 | 114.3 | | |
| 313 | I | 46.1 | Very low | 52.2 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | | | cis | -124.2 | 133 | 2.7 | -60.5 | 173.3 | 0 | 0 | 0 | 109.8 | | |
| 314 | Q | 41.9 | Very low | 50.5 | Low | 188 Ų | 188 | 134.1 Ų | 134.1 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | | | trans | -131.9 | 124.5 | 156.8 | -82.4 | -169.9 | -47.8 | 0 | 0 | 107 | | |
| 315 | D | 42.6 | Very low | 49.2 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | | | trans | -165.2 | 94.7 | 159.3 | -108.6 | -31.4 | 0 | 0 | 0 | 111 | | |
| 316 | E | 43.6 | Very low | 47.7 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 72% | 0.722 | S | S | * | * | | | trans | -134.9 | 141.3 | 146.8 | -99.8 | -161.3 | 141.2 | 0 | 0 | 108.5 | | |
| 317 | Q | 38.8 | Very low | 46.4 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | | | trans | -66.9 | 160.8 | -171.2 | -89.8 | -167.4 | -60 | 0 | 0 | 113.5 | | |
| 318 | P | 38.6 | Very low | 45.2 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | | | cis | -151.8 | 176 | 42.1 | 43.1 | -22.4 | 0 | 0 | 0 | 120.5 | | |
| 319 | A | 42 | Very low | 44.3 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | trans | 88.5 | 127.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 320 | D | 45.3 | Very low | 43.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | trans | 80.5 | 134.7 | 142.2 | -74.3 | -29.1 | 0 | 0 | 0 | 125.2 | | |
| 321 | E | 42.6 | Very low | 42.8 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 64.7 | 98.8 | 150.7 | -64 | -159.1 | 126.4 | 0 | 0 | 124.1 | | |
| 322 | T | 42.4 | Very low | 42.4 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | | 83.2 | 103.4 | 110.3 | -55.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 323 | A | 44.1 | Very low | 42 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 67.9 | 162.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 324 | E | 43.9 | Very low | 41.6 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | cis | -155.8 | 171.4 | -0.9 | -144.1 | -167.8 | 138.2 | 0 | 0 | 110.8 | | |
| 325 | I | 44.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 60% | 0.6 | 73% | 0.734 | S | S | * | * | | | trans | 89.4 | 95.4 | 148.9 | -72.8 | 159.9 | 0 | 0 | 0 | 121.5 | | |
| 326 | K | 42.5 | Very low | 41 | Very low | 172 Ų | 172 | 134 Ų | 134 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | | 78.2 | 149.1 | 122.9 | -65.3 | -168.3 | 177.7 | -177.1 | 0 | 123.6 | | |
| 327 | Q | 41.8 | Very low | 40.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 57% | 0.565 | 72% | 0.72 | S | S | * | * | | | cis | -174.5 | 151.5 | -16.1 | 176.5 | 154.6 | -9.3 | 0 | 0 | 113.2 | | |
| 328 | E | 41.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | | | trans | 68.7 | 153.8 | 157.3 | -82.1 | 161.3 | -176.5 | 0 | 0 | 120.5 | | |
| 329 | M | 40.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | | | cis | -153.7 | 141.5 | -0.2 | -128.4 | 140.7 | -172.8 | 0 | 0 | 108.8 | | |
| 330 | I | 44.9 | Very low | 40.4 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | | | | 61 | 138.5 | 97.9 | -70.6 | -176.1 | 0 | 0 | 0 | 114.7 | | |
| 331 | D | 39.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | | | cis | -156.3 | 150.6 | -1.1 | -108.6 | 4.6 | 0 | 0 | 0 | 107.7 | | |
| 332 | I | 39.3 | Very low | 40 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 68% | 0.677 | 70% | 0.704 | S | S | * | * | | | | 73.9 | 126 | 70.3 | -62.4 | -179.4 | 0 | 0 | 0 | 116.6 | | |
| 333 | N | 35.8 | Very low | 40 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | trans | 86.1 | 117.5 | 155.5 | -79.6 | -20.6 | 0 | 0 | 0 | 124.7 | | |
| 334 | N | 37.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | | | | 77.4 | 147.5 | 125 | -66.3 | -27 | 0 | 0 | 0 | 124.6 | | |
| 335 | T | 33.7 | Very low | 39.5 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | | | trans | 65 | 136 | 158.7 | 40.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 336 | G | 37.3 | Very low | 39.1 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | | | cis | 161.4 | -172.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 337 | Q | 34.7 | Very low | 38.8 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | | | trans | 73.3 | 122.7 | 163 | -56.6 | -158.5 | -102.5 | 0 | 0 | 116.8 | | |
| 338 | D | 37.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | | | | 85.3 | 145.7 | 78.8 | -59.3 | -19.1 | 0 | 0 | 0 | 111.5 | | |
| 339 | T | 40.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | | | cis | -156.7 | 143 | 4.7 | 8.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 340 | E | 38.3 | Very low | 38.1 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | | 88.2 | 151.1 | 62.1 | -154.6 | -169.2 | -157.4 | 0 | 0 | 115 | | |
| 341 | V | 42.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | | | trans | 72.2 | 118.9 | 170.2 | -156.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 342 | N | 37.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | | | cis | 89.2 | 167.4 | 23.8 | -153.5 | 13.6 | 0 | 0 | 0 | 115.4 | | |
| 343 | E | 42.7 | Very low | 38 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | | | trans | 71.1 | 157.8 | 178.1 | -66.4 | -169.2 | 176.9 | 0 | 0 | 118.8 | | |
| 344 | E | 37.9 | Very low | 38 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | | | cis | -165.4 | -174.1 | -48.1 | -134.6 | -148.3 | 130.4 | 0 | 0 | 111.5 | | |
| 345 | V | 39.8 | Very low | 38.5 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 57% | 0.57 | 71% | 0.709 | S | S | * | * | | | trans | 64.4 | 109.7 | 142.8 | 159.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 346 | N | 35.9 | Very low | 38.6 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 49% | 0.487 | 71% | 0.707 | S | S | . | * | | | | 35.4 | 118.2 | 110.1 | -117.6 | -17 | 0 | 0 | 0 | 119.5 | R1501 | N346-R1501 VanDerWaalsContact CG-NH2 3.34Å; N346-R1501 PolarHBondContact OD1-NH2 3.05Å |
| 347 | R | 36.1 | Very low | 38.9 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 70% | 0.698 | 71% | 0.713 | S | S | * | * | | | | 177.1 | 161.4 | 78.9 | -99.4 | 173.6 | -178.5 | -174.5 | 1.5 | 113.4 | R1502 | R347-R1502 VanDerWaalsContact C-NH1 3.32Å; R347-R1502 VanDerWaalsContact O-CZ 3.26Å; R347-R1502 PolarHBondContact O-NH1 2.97Å; R347-R1502 PolarHBondContact O-NH2 3.35Å |
| 348 | V | 36.5 | Very low | 39.1 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 62% | 0.618 | 72% | 0.715 | S | S | * | * | | | trans | 56.1 | 146.2 | 139.7 | 170.9 | 0 | 0 | 0 | 0 | 120.2 | R1502 | V348-R1502 PolarHBondContact O-NH1 3.26Š|
| 349 | S | 34.6 | Very low | 39 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | | | cis | -178 | -168.5 | -25 | -80.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 350 | I | 39.2 | Very low | 38.9 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | trans | 88.7 | 116 | 148.6 | -36 | -175.9 | 0 | 0 | 0 | 118.8 | | |
| 351 | H | 38.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | trans | 50.7 | 154.6 | 151.7 | -63 | -25.9 | 0 | 0 | 0 | 121.3 | | |
| 352 | S | 40.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | cis | -170.4 | -171.7 | -20.4 | -82.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 353 | I | 42.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 67% | 0.672 | 71% | 0.713 | S | S | * | * | | | cis | -151.3 | 154.1 | 6.8 | -164.4 | 167.7 | 0 | 0 | 0 | 109.2 | | |
| 354 | P | 35.8 | Very low | 38.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | trans | -104.5 | 146.2 | 167.6 | 36.8 | -29.7 | 0 | 0 | 0 | 112.6 | | |
| 355 | E | 47.1 | Very low | 38.2 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -137.1 | 124.2 | 171.6 | -70.4 | -168.5 | 164.6 | 0 | 0 | 113.5 | | |
| 356 | T | 37.4 | Very low | 38.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | | | trans | -153.5 | 171.7 | 158.3 | 57.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 357 | P | 42.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | cis | -111.8 | -155.8 | -31.3 | 39.3 | -24.7 | 0 | 0 | 0 | 108.9 | | |
| 358 | V | 40.2 | Very low | 39 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -170.4 | 154.6 | 133.1 | 137.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 359 | S | 34.7 | Very low | 39.5 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -109.6 | -165.4 | -173.1 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 360 | E | 37.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 86.7 | 104 | 154.6 | -70.8 | 167.9 | 173.5 | 0 | 0 | 120.3 | | |
| 361 | E | 34.2 | Very low | 40.1 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | | 85.1 | 168.6 | 112.9 | -152.4 | -176.3 | -140.6 | 0 | 0 | 119.5 | | |
| 362 | V | 35.8 | Very low | 40 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | 83 | 123.1 | 160.5 | -179.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 363 | T | 35.1 | Very low | 39.8 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | -169.4 | -176.1 | -17.8 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 364 | T | 40.4 | Very low | 39.6 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 74.4 | 120.4 | 153.5 | 44.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 365 | V | 38.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | cis | 69.7 | 115.2 | 21.6 | -168.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 366 | P | 41.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | | | | -145.3 | 171.8 | 86.3 | 40.1 | -23.1 | 0 | 0 | 0 | 117.5 | | |
| 367 | A | 36.8 | Very low | 39.5 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | -137 | -114.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 368 | P | 51 | Low | 39.4 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | -71.1 | 175.9 | -148.4 | 35.4 | -43.4 | 0 | 0 | 0 | 117.1 | | |
| 369 | P | 47.2 | Very low | 39.4 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | cis | -124.6 | -157.6 | 15.6 | 46.2 | -30.3 | 0 | 0 | 0 | 113 | | |
| 370 | P | 47.8 | Very low | 39.6 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | cis | -122.6 | 174.8 | -2.6 | 41.5 | -23.9 | 0 | 0 | 0 | 114.2 | | |
| 371 | A | 38.7 | Very low | 39.9 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | cis | 88.3 | 137.2 | 26.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 372 | D | 35.9 | Very low | 40.2 | Very low | 152 Ų | 152 | 119 Ų | 119 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | | | trans | 83.7 | 110.9 | 161 | -64.5 | -17.6 | 0 | 0 | 0 | 124.1 | | |
| 373 | V | 34.6 | Very low | 40.3 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | | 87.4 | 138.2 | 120.2 | 170.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 374 | S | 39.1 | Very low | 40.6 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 81.8 | 152.5 | 153.5 | 64.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 375 | V | 37.9 | Very low | 40.4 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | | | cis | -175.5 | 159.9 | -29.4 | 75.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 376 | I | 39.7 | Very low | 40.3 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | | | trans | 70.5 | 142 | 165.7 | -79 | 162.6 | 0 | 0 | 0 | 114.5 | | |
| 377 | A | 39.8 | Very low | 40 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | | | cis | -128.6 | -126.5 | 30.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 378 | D | 40.8 | Very low | 40 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -165.6 | 162.2 | -131.6 | -83.4 | -79.5 | 0 | 0 | 0 | 111.4 | | |
| 379 | S | 40.7 | Very low | 39.1 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | | | cis | 176.6 | 146.9 | -19.2 | -96.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 380 | I | 38.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | trans | 75.9 | 149.6 | 142.9 | -68.1 | 164 | 0 | 0 | 0 | 118.3 | | |
| 381 | P | 44.8 | Very low | 37.8 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | cis | -115.7 | -151.1 | 2.3 | 45.7 | -32.9 | 0 | 0 | 0 | 112.6 | | |
| 382 | E | 40.5 | Very low | 37.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | cis | -156.1 | 174.1 | -8.7 | -156.1 | 44.3 | -81 | 0 | 0 | 111.2 | | |
| 383 | T | 36.2 | Very low | 37.7 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -148.1 | 164 | 166.4 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 384 | P | 41.4 | Very low | 37.6 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | | -152.9 | 140.8 | 94 | 34.7 | -13.8 | 0 | 0 | 0 | 116.2 | | |
| 385 | V | 37.6 | Very low | 37.9 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | | | | 77.1 | 140.6 | 81.4 | -179.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 386 | S | 35.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | trans | -102.9 | -171 | -171.8 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 387 | E | 36.9 | Very low | 37.1 | Very low | 189 Ų | 189 | 124.9 Ų | 124.9 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | | | trans | 77.7 | 152.7 | 179.4 | -50.2 | -172.3 | 148.4 | 0 | 0 | 113.9 | | |
| 388 | E | 35.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | | | cis | -142 | 160 | 21 | -166.8 | -179.8 | -175.4 | 0 | 0 | 114.1 | | |
| 389 | V | 32.7 | Very low | 36.2 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | | | trans | -46.9 | 158.3 | 177.5 | -168.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 390 | T | 33 | Very low | 35.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | | 148.5 | 108.4 | 122.5 | -53.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 391 | T | 35 | Very low | 35.8 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | | | trans | 48.5 | 118.4 | 151.1 | 65.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 392 | V | 31.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | | | | 36.4 | 137.8 | 97 | -178.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 393 | P | 40 | Very low | 35.4 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | cis | -133.3 | -171.7 | -0.6 | 37 | -16.1 | 0 | 0 | 0 | 116 | | |
| 394 | A | 33.4 | Very low | 35.5 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | | | trans | -69.3 | -173.1 | 160 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 395 | P | 45.6 | Very low | 35.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | -145.1 | -169.3 | 7.2 | 42.5 | -21.1 | 0 | 0 | 0 | 117.4 | | |
| 396 | H | 30.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | | | trans | 81.3 | 132.4 | 141.9 | -89.2 | -30.5 | 0 | 0 | 0 | 123.5 | | |
| 397 | L | 29.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | | | trans | 80.1 | 104.2 | 132.5 | -71.1 | 169.4 | 0 | 0 | 0 | 121.7 | | |
| 398 | Q | 30.9 | Very low | 36.5 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | | | | 73.6 | 142.1 | 116.5 | -90.4 | -176.9 | 8.5 | 0 | 0 | 122.5 | | |
| 399 | M | 31.5 | Very low | 37.3 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | trans | 86.4 | 117.9 | 138.6 | -71.8 | -95.1 | -79.8 | 0 | 0 | 121.2 | | |
| 400 | L | 33.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | 83.7 | 152.3 | 137.5 | -68.3 | 172 | 0 | 0 | 0 | 122 | | |
| 401 | S | 36.2 | Very low | 38.8 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | trans | 72.7 | 139.1 | 148 | 53.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 402 | E | 38.1 | Very low | 39.5 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | cis | -169.7 | -179.5 | -18.6 | -130.2 | 167 | 150.4 | 0 | 0 | 110.4 | | |
| 403 | E | 39.6 | Very low | 40.2 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | 66.3 | 113.5 | 154.7 | -77.4 | -156.3 | 111.5 | 0 | 0 | 120.1 | | |
| 404 | V | 38.8 | Very low | 40.1 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | | 84.2 | 127 | 85.4 | 161.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 405 | T | 38.4 | Very low | 40.4 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | | -164 | 119.9 | 61 | -17.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 406 | T | 41.1 | Very low | 40 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | | | trans | 48.3 | 125.2 | 131.8 | 63.6 | 0 | 0 | 0 | 0 | 126.5 | | |
| 407 | V | 42.6 | Very low | 40.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | | | | 66.2 | 146.6 | 117.8 | 176.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 408 | P | 48.4 | Very low | 41 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | cis | -131.2 | 149.2 | 9.1 | 26.1 | -2.7 | 0 | 0 | 0 | 119.3 | | |
| 409 | A | 52.2 | Low | 41.5 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | | 17.5 | 162.6 | 112.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 410 | P | 52.3 | Low | 42 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | cis | -148.5 | 175.8 | -26.6 | 42.6 | -24 | 0 | 0 | 0 | 117.2 | | |
| 411 | L | 45.1 | Very low | 42.4 | Very low | 160 Ų | 160 | 125 Ų | 125 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | 30 | 164.3 | 130.5 | -61 | 172.1 | 0 | 0 | 0 | 123.1 | | |
| 412 | P | 51.2 | Low | 42.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -142.9 | -167.2 | -27.6 | 35.5 | -14 | 0 | 0 | 0 | 114.9 | | |
| 413 | A | 45 | Very low | 43.2 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | trans | 108.1 | 107.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 414 | D | 37.6 | Very low | 43.4 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | | 40.5 | 123.2 | 118.9 | -39.8 | -22.5 | 0 | 0 | 0 | 120.2 | | |
| 415 | V | 40.2 | Very low | 43.6 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | 178.9 | 144.7 | 95 | 152.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 416 | S | 37.5 | Very low | 44.1 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -81.3 | 162.3 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 417 | V | 39.8 | Very low | 44.2 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -168.5 | 147.5 | 140.6 | 133.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 418 | I | 40.2 | Very low | 44 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -99.4 | 136 | -179.8 | -60.8 | 159.6 | 0 | 0 | 0 | 109.8 | | |
| 419 | A | 42.1 | Very low | 44.1 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -159.5 | 143.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 420 | D | 41.8 | Very low | 43.5 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -80.9 | 162.9 | -167.5 | -46.3 | -84.8 | 0 | 0 | 0 | 117.1 | | |
| 421 | S | 41.7 | Very low | 43.1 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 113.7 | 136.2 | 143.7 | -50.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 422 | I | 47.6 | Very low | 42.7 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -81.5 | 161 | -176.2 | -12.5 | 177.1 | 0 | 0 | 0 | 113 | | |
| 423 | P | 43.3 | Very low | 42.3 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | | -147.6 | -173.8 | 88.2 | 38.8 | -19.4 | 0 | 0 | 0 | 116.1 | | |
| 424 | E | 44.7 | Very low | 42.3 | Very low | 169 Ų | 169 | 139 Ų | 139 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | -92.6 | 146.3 | -158.9 | -60.8 | 173.1 | 138.8 | 0 | 0 | 118.3 | | |
| 425 | T | 43.6 | Very low | 43 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | | | trans | 67.5 | 164 | 142.9 | 61.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 426 | P | 47.8 | Very low | 43.6 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | cis | -140.1 | -168.7 | -44.7 | 38 | -19 | 0 | 0 | 0 | 114.9 | | |
| 427 | V | 43.3 | Very low | 44.8 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | 93 | 146.9 | 167.4 | -171.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 428 | S | 39.8 | Very low | 45.8 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -121.9 | 159.5 | -157 | 47.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 429 | E | 49.2 | Very low | 46.6 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | | | trans | -144.5 | 166.9 | 163.6 | -82 | -170.5 | 152.8 | 0 | 0 | 109.6 | | |
| 430 | E | 40.2 | Very low | 46.8 | Very low | 197 Ų | 197 | 131.7 Ų | 131.7 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -76.8 | 148.3 | -172.6 | -52.3 | 165.4 | 145.1 | 0 | 0 | 114.5 | | |
| 431 | A | 44.5 | Very low | 46.6 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -160.5 | 130.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 432 | T | 36.1 | Very low | 46.5 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -88.6 | 126.8 | 172.9 | -21.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 433 | T | 42.2 | Very low | 45.9 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -145.6 | 129.1 | 169.6 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | P435 | T433-P435 WeakPolarHBondContact O-CD 3.42Š|
| 434 | V | 45 | Very low | 45.7 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.3 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 435 | P | 51.7 | Low | 45.3 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 138.7 | 173.7 | -16.1 | 32 | 0 | 0 | 0 | 111.4 | T433 | T433-P435 WeakPolarHBondContact O-CD 3.42Š|
| 436 | A | 53.5 | Low | 45.1 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 152.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 437 | P | 63.1 | Low | 44.8 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.6 | -175.3 | 23.5 | -34.3 | 0 | 0 | 0 | 112 | | |
| 438 | P | 61.2 | Low | 44.4 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153.7 | 174.4 | 30.1 | -34.4 | 0 | 0 | 0 | 111.3 | | |
| 439 | P | 56.3 | Low | 44.7 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 158.9 | 173.8 | 33 | -35.5 | 0 | 0 | 0 | 111.8 | | |
| 440 | A | 46.3 | Very low | 44.3 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -66.9 | 167.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 441 | D | 38.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | 67.2 | 56.6 | 162.3 | -51.5 | -19.7 | 0 | 0 | 0 | 118 | | |
| 442 | V | 39.7 | Very low | 44.3 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -140.8 | 122 | 158.8 | -164.4 | 0 | 0 | 0 | 0 | 111.8 | V444 | V442-V444 HydrophobicContact CG1-CG2 3.98Š|
| 443 | S | 34.9 | Very low | 44.6 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -100.3 | 130.7 | 170.9 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 444 | V | 38.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -147.5 | 138.5 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | V442 | V442-V444 HydrophobicContact CG1-CG2 3.98Š|
| 445 | I | 35.4 | Very low | 44.7 | Very low | 143 Ų | 143 | 121 Ų | 121 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -127.5 | 127.8 | 179.8 | -57.7 | 165.5 | 0 | 0 | 0 | 108 | | |
| 446 | A | 39.7 | Very low | 44.6 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -175 | 123.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 447 | D | 42 | Very low | 43.9 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | 44.6 | 121.9 | 141.5 | -50.5 | -10.2 | 0 | 0 | 0 | 122.7 | | |
| 448 | S | 34.6 | Very low | 43.1 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | trans | -117.7 | 126.4 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 449 | I | 45.5 | Very low | 42 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -162.3 | 146.7 | 166.8 | -59.8 | -173.3 | 0 | 0 | 0 | 108.1 | | |
| 450 | P | 42 | Very low | 41.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | cis | -125.5 | 177.3 | -17 | 37.8 | -21.7 | 0 | 0 | 0 | 114.4 | | |
| 451 | E | 39 | Very low | 41.6 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | | | trans | -73.9 | 154.2 | 173.3 | -61.2 | 139.8 | -133.7 | 0 | 0 | 115.9 | | |
| 452 | T | 43.9 | Very low | 42.3 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -148.4 | 123.6 | 142.1 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 453 | P | 42.8 | Very low | 43.3 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | trans | -77.6 | 137.1 | -178.6 | 30.3 | -34.7 | 0 | 0 | 0 | 112.7 | | |
| 454 | V | 48.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | | | trans | -141.5 | 116.7 | 170.4 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | E456 | V454-E456 PolarHBondContact O-N 2.9Š|
| 455 | S | 40.3 | Very low | 45.8 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -83 | 110.5 | -179.8 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 456 | E | 50.5 | Low | 46.9 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | | | trans | -136.7 | 131.5 | 166.1 | -68.9 | -163.5 | 152.7 | 0 | 0 | 109.9 | V454 V458 | V454-E456 PolarHBondContact O-N 2.9Å; E456-V458 HydrophobicContact CB-CG2 4.22Å; E456-V458 PolarHBondContact O-N 3.33Å; E456-V458 VanDerWaalsContact O-N 3.1Å |
| 457 | E | 39.5 | Very low | 47.3 | Very low | 201 Ų | 201 | 122.2 Ų | 122.2 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | | | trans | -66.9 | 104.9 | 172.4 | -66.4 | 176.6 | 140.7 | 0 | 0 | 109.9 | | |
| 458 | V | 44.8 | Very low | 47.3 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 62% | 0.624 | 74% | 0.736 | S | S | * | * | | | trans | -116.6 | 88 | 178.3 | -164.6 | 0 | 0 | 0 | 0 | 111.6 | E456 T460 | E456-V458 HydrophobicContact CB-CG2 4.22Å; E456-V458 PolarHBondContact O-N 3.33Å; E456-V458 VanDerWaalsContact O-N 3.1Å; V458-T460 HydrophobicContact CG1-CG2 3.78Å; V458-T460 PolarHBondContact O-N 2.92Å |
| 459 | T | 39.3 | Very low | 47.6 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | | | trans | -65 | 103.1 | 171.1 | -35 | 0 | 0 | 0 | 0 | 110.3 | | |
| 460 | T | 45.3 | Very low | 47.3 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | | | trans | -108.4 | 141.4 | 173 | 65.4 | 0 | 0 | 0 | 0 | 110.9 | V458 | V458-T460 HydrophobicContact CG1-CG2 3.78Å; V458-T460 PolarHBondContact O-N 2.92Å |
| 461 | V | 48.6 | Very low | 47.2 | Very low | 136 Ų | 136 | 121 Ų | 121 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | -107.5 | 112 | 170.3 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | A463 | V461-A463 PolarHBondContact O-N 3.05Š|
| 462 | P | 53.9 | Low | 47.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.2 | 176.9 | -25 | 35 | 0 | 0 | 0 | 111.4 | | |
| 463 | A | 59.6 | Low | 46.9 | Very low | 85 Ų | 85 | 120.4 Ų | 120.4 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V461 | V461-A463 PolarHBondContact O-N 3.05Š|
| 464 | P | 63.4 | Low | 47 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 134.9 | -179.6 | 24.9 | -34 | 0 | 0 | 0 | 110.6 | | |
| 465 | P | 62.4 | Low | 46.3 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 152.7 | 179 | 27.9 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 466 | P | 59.4 | Low | 46.5 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 145.7 | 168.7 | 30.4 | -34.3 | 0 | 0 | 0 | 110.2 | | |
| 467 | A | 47.2 | Very low | 46.1 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -63.2 | 160.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 468 | D | 42 | Very low | 46.2 | Very low | 163 Ų | 163 | 111.1 Ų | 111.1 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | | | trans | 64.9 | 63.4 | 173.6 | -49.8 | -20.9 | 0 | 0 | 0 | 115.9 | | |
| 469 | V | 40.7 | Very low | 46.3 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | | | trans | -134.9 | 118.6 | 165.9 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | V471 | V469-V471 HydrophobicContact CG1-CG2 3.76Š|
| 470 | S | 40.1 | Very low | 46.5 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | | | trans | -98.5 | 125.9 | 168.7 | 46 | 0 | 0 | 0 | 0 | 110.6 | | |
| 471 | V | 39.6 | Very low | 46.6 | Very low | 113 Ų | 113 | 107.3 Ų | 107.3 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | | | trans | -129.5 | 135.6 | -177.1 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V469 | V469-V471 HydrophobicContact CG1-CG2 3.76Š|
| 472 | I | 37.6 | Very low | 46.3 | Very low | 157 Ų | 157 | 106 Ų | 106 | 81% | 0.805 | 67% | 0.667 | S | S | * | * | | | trans | -120 | 127.7 | 172.2 | -56.3 | 169.6 | 0 | 0 | 0 | 105.4 | | |
| 473 | A | 40.3 | Very low | 46.1 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | | | trans | -149.7 | 132.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 474 | D | 43.8 | Very low | 45.2 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | | | trans | -86.3 | 149.4 | -174 | -46.9 | -74.2 | 0 | 0 | 0 | 113.3 | | |
| 475 | S | 34.4 | Very low | 44.3 | Very low | 74 Ų | 74 | 110.6 Ų | 110.6 | 52% | 0.517 | 66% | 0.662 | S | S | . | * | | | trans | -71.5 | 136.8 | -173 | -40.4 | 0 | 0 | 0 | 0 | 115.5 | I503 | S475-I503 WeakPolarHBondContact CB-O 3.28Å; S475-I503 PolarHBondContact OG-O 2.97Å |
| 476 | I | 44.3 | Very low | 43.3 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 59% | 0.59 | 67% | 0.672 | S | S | * | * | | | trans | -154 | 162.1 | 172.1 | -9.6 | 174.8 | 0 | 0 | 0 | 111 | | |
| 477 | P | 42.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | | | | -98.8 | 165.1 | -104 | 40.1 | -27.5 | 0 | 0 | 0 | 114.9 | | |
| 478 | E | 41.6 | Very low | 42.9 | Very low | 86 Ų | 86 | 115 Ų | 115 | 40% | 0.402 | 68% | 0.677 | S | S | . | * | | | trans | -83.6 | 140.2 | -176.2 | -48.5 | 97.3 | 126 | 0 | 0 | 114.7 | T506 | E478-T506 VanDerWaalsContact CG-OG1 3.3Å; E478-T506 WeakPolarHBondContact CG-OG1 3.27Å; E478-T506 WeakPolarHBondContact OE1-CB 3.19Å; E478-T506 WeakPolarHBondContact OE1-CG2 3.33Å; E478-T506 PolarHBondContact OE1-N 2.94Å; E478-T506 PolarHBondContact OE1-OG1 3.45Å |
| 479 | T | 46.4 | Very low | 43.4 | Very low | 77 Ų | 77 | 111.2 Ų | 111.2 | 47% | 0.472 | 66% | 0.661 | S | S | . | * | | | trans | -136.6 | 125 | 151.5 | 48 | 0 | 0 | 0 | 0 | 109.1 | | |
| 480 | P | 43 | Very low | 44.4 | Very low | 99 Ų | 99 | 110.1 Ų | 110.1 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | | | trans | -76.5 | 128.1 | -176.5 | 29.5 | -34.4 | 0 | 0 | 0 | 111.5 | V508 | P480-V508 HydrophobicContact CB-CG1 3.8Å; P480-V508 HydrophobicContact CB-CG2 4.24Å |
| 481 | V | 48.2 | Very low | 45.5 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | | | trans | -137.9 | 102.6 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | E483 | V481-E483 HydrophobicContact CG1-CG 4.4Å; V481-E483 PolarHBondContact O-N 3.09Å |
| 482 | S | 42.8 | Very low | 46.6 | Very low | 108 Ų | 108 | 107.9 Ų | 107.9 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | | | trans | -70.1 | 106.9 | -176.8 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | E510 | S482-E510 WeakPolarHBondContact CA-OE1 3.21Š|
| 483 | E | 48.2 | Very low | 47.6 | Very low | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | | | trans | -132.8 | 129.2 | 171.3 | -67.1 | -165.9 | 167.1 | 0 | 0 | 111 | V481 V485 | V481-E483 HydrophobicContact CG1-CG 4.4Å; V481-E483 PolarHBondContact O-N 3.09Å; E483-V485 VanDerWaalsContact C-N 3.34Å; E483-V485 HydrophobicContact CB-CG2 3.99Å; E483-V485 PolarHBondContact O-N 2.66Å |
| 484 | E | 41 | Very low | 48.1 | Very low | 201 Ų | 201 | 103.2 Ų | 103.2 | 94% | 0.939 | 63% | 0.626 | S | S | * | * | | | trans | -71.1 | 81.3 | 175.3 | -70 | -178.3 | 156.8 | 0 | 0 | 111.3 | T486 | E484-T486 PolarHBondContact O-N 2.89Š|
| 485 | V | 44.3 | Very low | 48 | Very low | 102 Ų | 102 | 104.5 Ų | 104.5 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | | | trans | -93.2 | 87.5 | -178.2 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | E483 T487 | E483-V485 VanDerWaalsContact C-N 3.34Å; E483-V485 HydrophobicContact CB-CG2 3.99Å; E483-V485 PolarHBondContact O-N 2.66Å; V485-T487 HydrophobicContact CG1-CG2 3.77Å; V485-T487 PolarHBondContact O-N 3.49Å |
| 486 | T | 42.9 | Very low | 48.3 | Very low | 139 Ų | 139 | 105.3 Ų | 105.3 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | | | trans | -68.4 | 88.4 | 173.9 | -36 | 0 | 0 | 0 | 0 | 111.7 | E484 | E484-T486 PolarHBondContact O-N 2.89Š|
| 487 | T | 45.4 | Very low | 48.1 | Very low | 100 Ų | 100 | 105.5 Ų | 105.5 | 61% | 0.613 | 65% | 0.647 | S | S | * | * | | | trans | -90.9 | 142.6 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | V485 | V485-T487 HydrophobicContact CG1-CG2 3.77Å; V485-T487 PolarHBondContact O-N 3.49Å |
| 488 | V | 51.6 | Low | 48 | Very low | 135 Ų | 135 | 105.8 Ų | 105.8 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | | | trans | -110.3 | 109.7 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | A490 | V488-A490 PolarHBondContact O-N 3.1Š|
| 489 | P | 53.7 | Low | 47.8 | Very low | 83 Ų | 83 | 108.9 Ų | 108.9 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 132.5 | 177.8 | -25.6 | 35.1 | 0 | 0 | 0 | 111.5 | | |
| 490 | A | 60.7 | Low | 47.4 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.5 | 163 | 0 | 0 | 0 | 0 | 0 | 108.6 | V488 | V488-A490 PolarHBondContact O-N 3.1Š|
| 491 | P | 64.3 | Low | 47.4 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.2 | 179.8 | 24.8 | -34 | 0 | 0 | 0 | 110.1 | | |
| 492 | P | 62.2 | Low | 46.8 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 149.9 | -179.3 | 26.7 | -34.5 | 0 | 0 | 0 | 110.9 | P520 | P492-P520 HydrophobicContact CG-CG 4.48Š|
| 493 | P | 58.1 | Low | 46.7 | Very low | 76 Ų | 76 | 110.3 Ų | 110.3 | 49% | 0.494 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 143.9 | 168 | 29 | -33.7 | 0 | 0 | 0 | 109.8 | V496 | P493-V496 HydrophobicContact CG-CG2 4.1Š|
| 494 | A | 50.2 | Low | 46.3 | Very low | 70 Ų | 70 | 109.3 Ų | 109.3 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -62.1 | 155.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 495 | D | 42.4 | Very low | 46.3 | Very low | 158 Ų | 158 | 104.7 Ų | 104.7 | 85% | 0.845 | 65% | 0.651 | S | S | * | * | | | trans | 63.9 | 65.6 | 176.8 | -50.6 | -23.4 | 0 | 0 | 0 | 115.3 | | |
| 496 | V | 40.7 | Very low | 46.3 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | | | trans | -130.1 | 121 | 166.8 | -166.9 | 0 | 0 | 0 | 0 | 111 | P493 V498 | P493-V496 HydrophobicContact CG-CG2 4.1Å; V496-V498 HydrophobicContact CG1-CG2 3.84Å |
| 497 | S | 40.9 | Very low | 46.2 | Very low | 120 Ų | 120 | 101.3 Ų | 101.3 | 84% | 0.839 | 63% | 0.633 | S | S | * | * | | | trans | -106.7 | 122.8 | 171.1 | 45.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 498 | V | 39.4 | Very low | 46.2 | Very low | 104 Ų | 104 | 99.3 Ų | 99.3 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | | | trans | -122.6 | 139.1 | -176.8 | -174 | 0 | 0 | 0 | 0 | 109.1 | V496 | V496-V498 HydrophobicContact CG1-CG2 3.84Š|
| 499 | I | 38 | Very low | 45.8 | Very low | 151 Ų | 151 | 98.4 Ų | 98.4 | 77% | 0.774 | 62% | 0.62 | S | S | * | * | | | trans | -124.1 | 127.7 | 171.8 | -56.8 | 171.3 | 0 | 0 | 0 | 105.4 | | |
| 500 | A | 37.6 | Very low | 45.5 | Very low | 90 Ų | 90 | 98.5 Ų | 98.5 | 74% | 0.744 | 61% | 0.613 | S | S | * | * | | | trans | -145.8 | 124.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 501 | D | 41.7 | Very low | 44.6 | Very low | 148 Ų | 148 | 104 Ų | 104 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | | | trans | -105.2 | 125.4 | -176.4 | -60.6 | -42.8 | 0 | 0 | 0 | 111.6 | | |
| 502 | S | 35.8 | Very low | 43.6 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | | | trans | 63.5 | 102.3 | 143 | -67.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 503 | I | 41.4 | Very low | 42.7 | Very low | 82 Ų | 82 | 106.1 Ų | 106.1 | 42% | 0.421 | 63% | 0.634 | S | S | . | * | | | trans | 56.5 | 160.6 | 138.6 | 13.8 | 169 | 0 | 0 | 0 | 121 | S475 E505 P531 | S475-I503 WeakPolarHBondContact CB-O 3.28Å; S475-I503 PolarHBondContact OG-O 2.97Å; I503-E505 HydrophobicContact CG2-CG 4Å; I503-P531 HydrophobicContact CD1-CG 3.49Å; I503-P531 VanDerWaalsContact CD1-CG 3.49Å |
| 504 | P | 39.6 | Very low | 42.1 | Very low | 87 Ų | 87 | 107.1 Ų | 107.1 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | | | | -129.2 | -169.1 | 55.3 | 43.3 | -26.8 | 0 | 0 | 0 | 115.4 | | |
| 505 | E | 41.2 | Very low | 42.3 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | | | trans | -119.9 | 114 | -155.9 | -31.6 | 159.8 | 128.3 | 0 | 0 | 113 | I503 T533 | I503-E505 HydrophobicContact CG2-CG 4Å; E505-T533 HydrophobicContact CB-CG2 4.29Å; E505-T533 VanDerWaalsContact CD-OG1 3.27Å; E505-T533 HydrophobicContact CG-CG2 4.27Å; E505-T533 VanDerWaalsContact CG-OG1 3.3Å; E505-T533 WeakPolarHBondContact CG-OG1 3.22Å; E505-T533 VanDerWaalsContact OE1-CG2 3.24Å; E505-T533 WeakPolarHBondContact OE1-CG2 3.5Å; E505-T533 PolarHBondContact OE1-OG1 2.81Å |
| 506 | T | 43.8 | Very low | 42.8 | Very low | 75 Ų | 75 | 106 Ų | 106 | 46% | 0.46 | 63% | 0.632 | S | S | . | * | | | trans | -145.1 | 143.2 | 149.9 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | E478 | E478-T506 VanDerWaalsContact CG-OG1 3.3Å; E478-T506 WeakPolarHBondContact CG-OG1 3.27Å; E478-T506 WeakPolarHBondContact OE1-CB 3.19Å; E478-T506 WeakPolarHBondContact OE1-CG2 3.33Å; E478-T506 PolarHBondContact OE1-N 2.94Å; E478-T506 PolarHBondContact OE1-OG1 3.45Å |
| 507 | P | 41 | Very low | 43.7 | Very low | 95 Ų | 95 | 104.2 Ų | 104.2 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | | | trans | -82.6 | 128.8 | 176.4 | 32.9 | -34.8 | 0 | 0 | 0 | 111.6 | V535 | P507-V535 HydrophobicContact CB-CB 4.45Å; P507-V535 HydrophobicContact CB-CG1 3.53Å; P507-V535 HydrophobicContact CB-CG2 4.08Å |
| 508 | V | 46.8 | Very low | 44.8 | Very low | 57 Ų | 57 | 103.8 Ų | 103.8 | 35% | 0.345 | 62% | 0.621 | S | S | . | * | | | trans | -135.1 | 98.2 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | P480 E510 | P480-V508 HydrophobicContact CB-CG1 3.8Å; P480-V508 HydrophobicContact CB-CG2 4.24Å; V508-E510 HydrophobicContact CG1-CG 4.24Å; V508-E510 PolarHBondContact O-N 3.09Å; V508-E510 VanDerWaalsContact O-N 3.11Å |
| 509 | S | 43 | Very low | 45.8 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 81% | 0.811 | 61% | 0.614 | S | S | * | * | | | trans | -68.6 | 104.6 | -177.3 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 510 | E | 46.2 | Very low | 46.7 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 40% | 0.397 | 59% | 0.594 | S | S | . | * | | | trans | -129 | 131.6 | 171.5 | -61.5 | -161.2 | 150.8 | 0 | 0 | 111.4 | S482 V508 V512 | S482-E510 WeakPolarHBondContact CA-OE1 3.21Å; V508-E510 HydrophobicContact CG1-CG 4.24Å; V508-E510 PolarHBondContact O-N 3.09Å; V508-E510 VanDerWaalsContact O-N 3.11Å; E510-V512 HydrophobicContact CB-CG2 3.8Å; E510-V512 PolarHBondContact O-N 2.82Å |
| 511 | E | 42.1 | Very low | 47.3 | Very low | 198 Ų | 198 | 97.2 Ų | 97.2 | 93% | 0.925 | 59% | 0.589 | S | S | * | * | | | trans | -74.8 | 70.7 | 177 | -70 | -176.3 | 155.1 | 0 | 0 | 111.6 | T513 | E511-T513 PolarHBondContact O-N 2.81Š|
| 512 | V | 42.9 | Very low | 47.3 | Very low | 95 Ų | 95 | 97.8 Ų | 97.8 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | | | trans | -82.9 | 84.7 | -174.6 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | E510 T514 | E510-V512 HydrophobicContact CB-CG2 3.8Å; E510-V512 PolarHBondContact O-N 2.82Å; V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 HydrophobicContact CG1-CG2 3.78Å; V512-T514 PolarHBondContact O-N 2.83Å |
| 513 | T | 44.3 | Very low | 47.5 | Very low | 140 Ų | 140 | 97.4 Ų | 97.4 | 86% | 0.859 | 59% | 0.586 | S | S | * | * | | | trans | -70.9 | 83.6 | 175.6 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | E511 | E511-T513 PolarHBondContact O-N 2.81Š|
| 514 | T | 45.7 | Very low | 47.4 | Very low | 97 Ų | 97 | 99.3 Ų | 99.3 | 60% | 0.595 | 61% | 0.606 | S | S | * | * | | | trans | -93.7 | 132.5 | 175.8 | 39.5 | 0 | 0 | 0 | 0 | 112 | V512 P516 | V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 HydrophobicContact CG1-CG2 3.78Å; V512-T514 PolarHBondContact O-N 2.83Å; T514-P516 WeakPolarHBondContact O-CD 3.32Å |
| 515 | V | 53.1 | Low | 47.4 | Very low | 128 Ų | 128 | 100 Ų | 100 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | | | trans | -97.7 | 106.9 | 167 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | A517 | V515-A517 PolarHBondContact O-N 3.34Š|
| 516 | P | 53.1 | Low | 47.2 | Very low | 78 Ų | 78 | 102.2 Ų | 102.2 | 51% | 0.506 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 131.8 | 179.9 | 25 | -32.9 | 0 | 0 | 0 | 110.5 | T514 A544 | T514-P516 WeakPolarHBondContact O-CD 3.32Å; P516-A544 HydrophobicContact CG-CB 4.4Å |
| 517 | A | 59.9 | Low | 46.9 | Very low | 52 Ų | 52 | 102.8 Ų | 102.8 | 43% | 0.43 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 143.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | V515 | V515-A517 PolarHBondContact O-N 3.34Š|
| 518 | P | 63.9 | Low | 46.8 | Very low | 111 Ų | 111 | 106 Ų | 106 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.4 | -180 | 24.7 | -34 | 0 | 0 | 0 | 110.1 | | |
| 519 | P | 61.1 | Low | 46.2 | Very low | 76 Ų | 76 | 107.1 Ų | 107.1 | 49% | 0.494 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 148.4 | -179.1 | 26.4 | -34.5 | 0 | 0 | 0 | 110.9 | P547 | P519-P547 HydrophobicContact CG-CG 4.21Š|
| 520 | P | 57 | Low | 45.9 | Very low | 53 Ų | 53 | 106.8 Ų | 106.8 | 34% | 0.344 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 142.8 | 170 | 28.3 | -33.5 | 0 | 0 | 0 | 109.9 | P492 V523 | P492-P520 HydrophobicContact CG-CG 4.48Å; P520-V523 HydrophobicContact CG-CG2 4.04Å |
| 521 | A | 50.5 | Low | 45.5 | Very low | 77 Ų | 77 | 105.3 Ų | 105.3 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -62.8 | 155.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 522 | D | 41.3 | Very low | 45.4 | Very low | 160 Ų | 160 | 101 Ų | 101 | 86% | 0.856 | 62% | 0.622 | S | S | * | * | | | trans | 63.5 | 61.2 | 177.8 | -53.9 | -25.4 | 0 | 0 | 0 | 115.6 | | |
| 523 | V | 39.7 | Very low | 45.3 | Very low | 79 Ų | 79 | 99.9 Ų | 99.9 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | | | trans | -121.4 | 128.6 | 166.6 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | P520 V525 | P520-V523 HydrophobicContact CG-CG2 4.04Å; V523-V525 HydrophobicContact CG1-CG2 3.81Å |
| 524 | S | 40 | Very low | 45 | Very low | 122 Ų | 122 | 97.5 Ų | 97.5 | 85% | 0.853 | 60% | 0.603 | S | S | * | * | | | trans | -118.4 | 117.9 | 172.9 | 33.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 525 | V | 39.1 | Very low | 45 | Very low | 100 Ų | 100 | 95.5 Ų | 95.5 | 61% | 0.606 | 59% | 0.591 | S | S | * | * | | | trans | -118.8 | 139.9 | -177.4 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | V523 | V523-V525 HydrophobicContact CG1-CG2 3.81Š|
| 526 | I | 36 | Very low | 44.5 | Very low | 153 Ų | 153 | 94.7 Ų | 94.7 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | | | trans | -125.5 | 125.7 | 170.1 | -57.6 | 171.5 | 0 | 0 | 0 | 105.2 | | |
| 527 | A | 37.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 95.2 Ų | 95.2 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | | | trans | -141.7 | 132.7 | -180 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 528 | D | 40.3 | Very low | 43.2 | Very low | 163 Ų | 163 | 102.2 Ų | 102.2 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | | | trans | -89.8 | 151.8 | 177.5 | -61.4 | -50.2 | 0 | 0 | 0 | 110.5 | | |
| 529 | S | 33.5 | Very low | 42.2 | Very low | 81 Ų | 81 | 101.1 Ų | 101.1 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | | | trans | -90 | 178.8 | -162.1 | -51.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 530 | I | 36.6 | Very low | 41.4 | Very low | 108 Ų | 108 | 104 Ų | 104 | 55% | 0.554 | 62% | 0.617 | S | S | * | * | | | trans | 87.4 | 144.2 | 164.4 | -51.5 | 153.7 | 0 | 0 | 0 | 114.7 | P558 | I530-P558 HydrophobicContact CD1-CG 3.64Å; I530-P558 HydrophobicContact CG1-CG 3.63Å |
| 531 | P | 37.6 | Very low | 40.7 | Very low | 54 Ų | 54 | 106.1 Ų | 106.1 | 35% | 0.351 | 63% | 0.63 | S | S | . | * | | | cis | -128.3 | 148.8 | 2.7 | 21.1 | 2.9 | 0 | 0 | 0 | 118.6 | I503 | I503-P531 HydrophobicContact CD1-CG 3.49Å; I503-P531 VanDerWaalsContact CD1-CG 3.49Å |
| 532 | E | 40.2 | Very low | 40.8 | Very low | 107 Ų | 107 | 108.3 Ų | 108.3 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | | | | 37.3 | 85.5 | 117.2 | -35.5 | -168.8 | 153.8 | 0 | 0 | 122.1 | T560 | E532-T560 HydrophobicContact CG-CG2 4.4Å; E532-T560 WeakPolarHBondContact CG-OG1 3.29Å; E532-T560 WeakPolarHBondContact OE1-CG2 3.47Å; E532-T560 PolarHBondContact OE1-OG1 3.26Å |
| 533 | T | 41.3 | Very low | 41.3 | Very low | 72 Ų | 72 | 104.1 Ų | 104.1 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | | | trans | -149.7 | 133.9 | 144 | -1.6 | 0 | 0 | 0 | 0 | 111.5 | E505 | E505-T533 HydrophobicContact CB-CG2 4.29Å; E505-T533 VanDerWaalsContact CD-OG1 3.27Å; E505-T533 HydrophobicContact CG-CG2 4.27Å; E505-T533 VanDerWaalsContact CG-OG1 3.3Å; E505-T533 WeakPolarHBondContact CG-OG1 3.22Å; E505-T533 VanDerWaalsContact OE1-CG2 3.24Å; E505-T533 WeakPolarHBondContact OE1-CG2 3.5Å; E505-T533 PolarHBondContact OE1-OG1 2.81Å |
| 534 | P | 38.7 | Very low | 42.2 | Very low | 91 Ų | 91 | 102.7 Ų | 102.7 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | | | trans | -82.3 | 127.7 | -178.8 | 32.7 | -35.7 | 0 | 0 | 0 | 112.1 | V562 | P534-V562 HydrophobicContact CB-CB 4.47Å; P534-V562 HydrophobicContact CB-CG1 3.49Å; P534-V562 VanDerWaalsContact CB-CG1 3.49Å; P534-V562 HydrophobicContact CB-CG2 4.1Å |
| 535 | V | 43.8 | Very low | 43.4 | Very low | 55 Ų | 55 | 102.3 Ų | 102.3 | 33% | 0.333 | 61% | 0.607 | S | S | . | * | | | trans | -138.2 | 101.4 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | P507 E537 | P507-V535 HydrophobicContact CB-CB 4.45Å; P507-V535 HydrophobicContact CB-CG1 3.53Å; P507-V535 HydrophobicContact CB-CG2 4.08Å; V535-E537 HydrophobicContact CG1-CG 3.91Å; V535-E537 PolarHBondContact O-N 2.82Å |
| 536 | S | 43.1 | Very low | 44.5 | Very low | 111 Ų | 111 | 101.2 Ų | 101.2 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | | | trans | -68.3 | 102.2 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 537 | E | 44.4 | Very low | 45.4 | Very low | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 58% | 0.583 | S | S | . | * | | | trans | -123.5 | 127.3 | 174.9 | -58 | -161 | 154.2 | 0 | 0 | 111.2 | V535 V539 | V535-E537 HydrophobicContact CG1-CG 3.91Å; V535-E537 PolarHBondContact O-N 2.82Å; E537-V539 HydrophobicContact CB-CG2 3.54Å; E537-V539 PolarHBondContact O-N 3.48Å |
| 538 | E | 42.1 | Very low | 45.9 | Very low | 199 Ų | 199 | 96.5 Ų | 96.5 | 93% | 0.93 | 58% | 0.582 | S | S | * | * | | | trans | -75.5 | 62.4 | 173.8 | -70.1 | -173.8 | 151.6 | 0 | 0 | 111.3 | T540 | E538-T540 PolarHBondContact O-N 3.49Š|
| 539 | V | 41.7 | Very low | 45.8 | Very low | 88 Ų | 88 | 96.3 Ų | 96.3 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | | | trans | -75.9 | 88 | -175.2 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | E537 T541 | E537-V539 HydrophobicContact CB-CG2 3.54Å; E537-V539 PolarHBondContact O-N 3.48Å; V539-T541 HydrophobicContact CG1-CG2 3.77Å; V539-T541 PolarHBondContact O-N 3.41Å; V539-T541 PolarHBondContact O-OG1 2.82Å |
| 540 | T | 44.1 | Very low | 46 | Very low | 136 Ų | 136 | 96.7 Ų | 96.7 | 83% | 0.834 | 58% | 0.579 | S | S | * | * | | | trans | -72.1 | 74.5 | 174.6 | -51.3 | 0 | 0 | 0 | 0 | 111 | E538 | E538-T540 PolarHBondContact O-N 3.49Š|
| 541 | T | 43.5 | Very low | 46.1 | Very low | 98 Ų | 98 | 97.3 Ų | 97.3 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | | | trans | -83.3 | 134.1 | 174.4 | 34.1 | 0 | 0 | 0 | 0 | 111.3 | V539 | V539-T541 HydrophobicContact CG1-CG2 3.77Å; V539-T541 PolarHBondContact O-N 3.41Å; V539-T541 PolarHBondContact O-OG1 2.82Å |
| 542 | V | 52.8 | Low | 46.1 | Very low | 124 Ų | 124 | 99.6 Ų | 99.6 | 75% | 0.752 | 61% | 0.606 | S | S | * | * | | | trans | -101.7 | 109.9 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | A544 | V542-A544 PolarHBondContact O-N 2.79Š|
| 543 | P | 52.1 | Low | 45.9 | Very low | 72 Ų | 72 | 102 Ų | 102 | 47% | 0.468 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 128.6 | 179.7 | -24.4 | 34.6 | 0 | 0 | 0 | 111.4 | A571 | P543-A571 HydrophobicContact CB-CB 4.37Š|
| 544 | A | 58.7 | Low | 45.7 | Very low | 48 Ų | 48 | 102.7 Ų | 102.7 | 40% | 0.397 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 140.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P516 V542 | P516-A544 HydrophobicContact CG-CB 4.4Å; V542-A544 PolarHBondContact O-N 2.79Å |
| 545 | P | 63.5 | Low | 45.7 | Very low | 114 Ų | 114 | 105.8 Ų | 105.8 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.8 | -179.4 | 24.6 | -33.7 | 0 | 0 | 0 | 110 | | |
| 546 | P | 62.2 | Low | 45.3 | Very low | 78 Ų | 78 | 106.9 Ų | 106.9 | 51% | 0.506 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 148.3 | -177.4 | 25.9 | -34.2 | 0 | 0 | 0 | 111.2 | P574 | P546-P574 HydrophobicContact CG-CG 4.05Š|
| 547 | P | 55.6 | Low | 45 | Very low | 57 Ų | 57 | 106 Ų | 106 | 37% | 0.37 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -64 | 144.4 | 173.3 | 29.1 | -34.8 | 0 | 0 | 0 | 110.5 | P519 V550 | P519-P547 HydrophobicContact CG-CG 4.21Å; P547-V550 HydrophobicContact CG-CG2 4.18Å |
| 548 | A | 47.6 | Very low | 44.6 | Very low | 83 Ų | 83 | 104.4 Ų | 104.4 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -64.2 | 155.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 549 | D | 39.7 | Very low | 44.5 | Very low | 159 Ų | 159 | 99.2 Ų | 99.2 | 85% | 0.85 | 61% | 0.614 | S | S | * | * | | | trans | 62.1 | 65.4 | 176.7 | -57 | -26.1 | 0 | 0 | 0 | 115.9 | | |
| 550 | V | 37.7 | Very low | 44.5 | Very low | 88 Ų | 88 | 98.6 Ų | 98.6 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | | | trans | -127.7 | 122.5 | 167.6 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | P547 V552 | P547-V550 HydrophobicContact CG-CG2 4.18Å; V550-V552 HydrophobicContact CG1-CG2 3.89Å |
| 551 | S | 38.1 | Very low | 44.3 | Very low | 121 Ų | 121 | 96.5 Ų | 96.5 | 85% | 0.846 | 60% | 0.599 | S | S | * | * | | | trans | -116.2 | 112.7 | 174.7 | 64 | 0 | 0 | 0 | 0 | 111.1 | | |
| 552 | V | 37.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 94.6 Ų | 94.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | | | trans | -113.9 | 145.6 | -178.6 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | V550 | V550-V552 HydrophobicContact CG1-CG2 3.89Š|
| 553 | I | 35.2 | Very low | 43.9 | Very low | 159 Ų | 159 | 94.1 Ų | 94.1 | 82% | 0.815 | 59% | 0.589 | S | S | * | * | | | trans | -128.5 | 128.2 | 171.4 | -57.3 | 171.9 | 0 | 0 | 0 | 106.1 | | |
| 554 | A | 37.1 | Very low | 43.5 | Very low | 85 Ų | 85 | 94.4 Ų | 94.4 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | | | trans | -142.5 | 137.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 555 | D | 39.1 | Very low | 42.7 | Very low | 156 Ų | 156 | 101.5 Ų | 101.5 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | | | trans | -92.3 | 155.1 | 175.8 | -62.3 | -47.1 | 0 | 0 | 0 | 110.3 | | |
| 556 | S | 34.9 | Very low | 41.7 | Very low | 78 Ų | 78 | 100.7 Ų | 100.7 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | | | trans | -100.7 | 177.3 | -154.1 | -47.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 557 | I | 37.2 | Very low | 40.8 | Very low | 92 Ų | 92 | 103.5 Ų | 103.5 | 47% | 0.472 | 62% | 0.618 | S | S | . | * | | | trans | 83 | 140.5 | 158.2 | -52.2 | 131.7 | 0 | 0 | 0 | 114 | P585 | I557-P585 HydrophobicContact CD1-CG 4.28Š|
| 558 | P | 37.2 | Very low | 40.3 | Very low | 55 Ų | 55 | 105.2 Ų | 105.2 | 36% | 0.357 | 63% | 0.627 | S | S | . | * | | | cis | -134.8 | 139.5 | 26.5 | 35.3 | -14.2 | 0 | 0 | 0 | 119.7 | I530 | I530-P558 HydrophobicContact CD1-CG 3.64Å; I530-P558 HydrophobicContact CG1-CG 3.63Å |
| 559 | E | 39.3 | Very low | 40.5 | Very low | 91 Ų | 91 | 107.2 Ų | 107.2 | 43% | 0.425 | 63% | 0.631 | S | S | . | * | | | | 28.2 | 94.8 | 119 | -44 | -171.2 | 138 | 0 | 0 | 121.7 | E586 T587 | E559-E586 PolarHBondContact OE1-N 3.25Å; E559-T587 HydrophobicContact CG-CG2 4.47Å; E559-T587 VanDerWaalsContact CG-OG1 3.24Å; E559-T587 WeakPolarHBondContact CG-OG1 3.37Å; E559-T587 WeakPolarHBondContact OE1-CB 3.38Å; E559-T587 WeakPolarHBondContact OE1-CG2 3.2Å; E559-T587 PolarHBondContact OE1-N 2.88Å; E559-T587 PolarHBondContact OE1-OG1 2.93Å |
| 560 | T | 41.9 | Very low | 41.1 | Very low | 75 Ų | 75 | 103.2 Ų | 103.2 | 46% | 0.46 | 61% | 0.614 | S | S | . | * | | | trans | -148.5 | 143.7 | 140.8 | 12.2 | 0 | 0 | 0 | 0 | 111 | E532 | E532-T560 HydrophobicContact CG-CG2 4.4Å; E532-T560 WeakPolarHBondContact CG-OG1 3.29Å; E532-T560 WeakPolarHBondContact OE1-CG2 3.47Å; E532-T560 PolarHBondContact OE1-OG1 3.26Å |
| 561 | P | 39.2 | Very low | 42.1 | Very low | 91 Ų | 91 | 101.3 Ų | 101.3 | 59% | 0.591 | 61% | 0.607 | S | S | * | * | | | trans | -83.5 | 130.1 | -177.8 | 32.6 | -34.4 | 0 | 0 | 0 | 112.6 | V589 | P561-V589 HydrophobicContact CB-CB 4.34Å; P561-V589 HydrophobicContact CB-CG1 3.48Å; P561-V589 VanDerWaalsContact CB-CG1 3.48Å; P561-V589 HydrophobicContact CB-CG2 3.91Å |
| 562 | V | 45.4 | Very low | 43.3 | Very low | 59 Ų | 59 | 100.8 Ų | 100.8 | 36% | 0.358 | 60% | 0.6 | S | S | . | * | | | trans | -137.5 | 109.1 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 110 | P534 E564 | P534-V562 HydrophobicContact CB-CB 4.47Å; P534-V562 HydrophobicContact CB-CG1 3.49Å; P534-V562 VanDerWaalsContact CB-CG1 3.49Å; P534-V562 HydrophobicContact CB-CG2 4.1Å; V562-E564 HydrophobicContact CG1-CG 3.79Å; V562-E564 PolarHBondContact O-N 3.26Å |
| 563 | S | 43 | Very low | 44.5 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | | | trans | -75.6 | 103.8 | -179.3 | 58.2 | 0 | 0 | 0 | 0 | 112 | | |
| 564 | E | 43.7 | Very low | 45.4 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | | | trans | -128.4 | 132.2 | 175.2 | -52 | -153.6 | 144.5 | 0 | 0 | 112 | V562 V566 | V562-E564 HydrophobicContact CG1-CG 3.79Å; V562-E564 PolarHBondContact O-N 3.26Å; E564-V566 HydrophobicContact CB-CG2 3.77Å; E564-V566 PolarHBondContact O-N 2.76Å |
| 565 | E | 42.1 | Very low | 45.9 | Very low | 197 Ų | 197 | 94.9 Ų | 94.9 | 92% | 0.921 | 58% | 0.575 | S | S | * | * | | | trans | -77.8 | 64.8 | 177.2 | -69.8 | -174.7 | 146.9 | 0 | 0 | 111.5 | T567 | E565-T567 PolarHBondContact O-N 2.91Š|
| 566 | V | 41.7 | Very low | 45.8 | Very low | 96 Ų | 96 | 95 Ų | 95 | 58% | 0.582 | 58% | 0.575 | S | S | * | * | | | trans | -74.2 | 88 | -173.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | E564 T568 | E564-V566 HydrophobicContact CB-CG2 3.77Å; E564-V566 PolarHBondContact O-N 2.76Å; V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 HydrophobicContact CG1-CG2 3.7Å; V566-T568 PolarHBondContact O-N 3.4Å |
| 567 | T | 43.7 | Very low | 45.9 | Very low | 137 Ų | 137 | 95.5 Ų | 95.5 | 84% | 0.84 | 57% | 0.574 | S | S | * | * | | | trans | -75.1 | 76.4 | 175.9 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | E565 | E565-T567 PolarHBondContact O-N 2.91Š|
| 568 | T | 44.4 | Very low | 46 | Very low | 94 Ų | 94 | 96.7 Ų | 96.7 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | | | trans | -86.9 | 139 | 175 | 39.4 | 0 | 0 | 0 | 0 | 112.1 | V566 | V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 HydrophobicContact CG1-CG2 3.7Å; V566-T568 PolarHBondContact O-N 3.4Å |
| 569 | V | 53 | Low | 46 | Very low | 124 Ų | 124 | 99.2 Ų | 99.2 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | | | trans | -105.7 | 108 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | A571 | V569-A571 PolarHBondContact O-N 3.08Š|
| 570 | P | 52.1 | Low | 45.8 | Very low | 76 Ų | 76 | 102.4 Ų | 102.4 | 49% | 0.494 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 128 | -178.9 | -25.2 | 35 | 0 | 0 | 0 | 111.9 | A598 | P570-A598 HydrophobicContact CB-CB 4.45Š|
| 571 | A | 58.2 | Low | 45.5 | Very low | 48 Ų | 48 | 103.3 Ų | 103.3 | 40% | 0.397 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 140 | 164 | 0 | 0 | 0 | 0 | 0 | 108.9 | P543 V569 | P543-A571 HydrophobicContact CB-CB 4.37Å; V569-A571 PolarHBondContact O-N 3.08Å |
| 572 | P | 63.5 | Low | 45.5 | Very low | 109 Ų | 109 | 106 Ų | 106 | 71% | 0.708 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.8 | -179.2 | 25.1 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 573 | P | 61.8 | Low | 45 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 151.4 | -176.7 | 26.6 | -32.8 | 0 | 0 | 0 | 111.3 | P601 | P573-P601 HydrophobicContact CG-CG 3.96Š|
| 574 | P | 54.6 | Low | 44.9 | Very low | 59 Ų | 59 | 106.3 Ų | 106.3 | 38% | 0.383 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 148.1 | 174.4 | 31.1 | -37.1 | 0 | 0 | 0 | 110.8 | P546 V577 | P546-P574 HydrophobicContact CG-CG 4.05Å; P574-V577 HydrophobicContact CG-CG2 4.22Å |
| 575 | A | 47.2 | Very low | 44.6 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -65.2 | 154.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 576 | D | 38.5 | Very low | 44.4 | Very low | 158 Ų | 158 | 102 Ų | 102 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | | | trans | 61.7 | 67.6 | 174.4 | -58.4 | -27.8 | 0 | 0 | 0 | 116.2 | | |
| 577 | V | 37.2 | Very low | 44.4 | Very low | 88 Ų | 88 | 101.4 Ų | 101.4 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | | | trans | -131.3 | 131.8 | 166.3 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | P574 V579 | P574-V577 HydrophobicContact CG-CG2 4.22Å; V577-V579 HydrophobicContact CG1-CG2 4.01Å |
| 578 | S | 37.7 | Very low | 44.2 | Very low | 118 Ų | 118 | 99.2 Ų | 99.2 | 83% | 0.825 | 62% | 0.615 | S | S | * | * | | | trans | -126.2 | 119.7 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 579 | V | 37.6 | Very low | 44.2 | Very low | 107 Ų | 107 | 97.2 Ų | 97.2 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | | | trans | -127.2 | 147.5 | -176.3 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | V577 | V577-V579 HydrophobicContact CG1-CG2 4.01Š|
| 580 | I | 34.5 | Very low | 43.7 | Very low | 158 Ų | 158 | 96.5 Ų | 96.5 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | | | trans | -135.8 | 128.9 | 176.9 | -55.9 | 173.2 | 0 | 0 | 0 | 107.2 | | |
| 581 | A | 37 | Very low | 43.4 | Very low | 95 Ų | 95 | 96.8 Ų | 96.8 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | | | trans | -152.6 | 146.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 582 | D | 38.8 | Very low | 42.6 | Very low | 146 Ų | 146 | 103.8 Ų | 103.8 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | | | trans | -116.3 | 129.3 | -171 | -67 | -51.3 | 0 | 0 | 0 | 113.6 | | |
| 583 | S | 34.5 | Very low | 41.6 | Very low | 85 Ų | 85 | 102.7 Ų | 102.7 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | | | trans | 62 | 100.6 | 147.8 | -55.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 584 | I | 40.5 | Very low | 40.7 | Very low | 96 Ų | 96 | 105.2 Ų | 105.2 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | | | | 45.3 | 124.6 | 104.4 | -59.7 | 165.3 | 0 | 0 | 0 | 118 | | |
| 585 | P | 37.7 | Very low | 40.2 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | | | | -151.4 | -167.4 | 76 | 42.2 | -22.7 | 0 | 0 | 0 | 115.6 | I557 | I557-P585 HydrophobicContact CD1-CG 4.28Š|
| 586 | E | 39.3 | Very low | 40.5 | Very low | 118 Ų | 118 | 108.8 Ų | 108.8 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | | | cis | -163.2 | 77.6 | -40.7 | -93.2 | 176.8 | -164.5 | 0 | 0 | 108.8 | E559 T614 | E559-E586 PolarHBondContact OE1-N 3.25Å; E586-T614 HydrophobicContact CG-CG2 3.99Å |
| 587 | T | 39.8 | Very low | 41.1 | Very low | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | | | trans | -141.1 | 137.4 | 169.4 | 32.6 | 0 | 0 | 0 | 0 | 114 | E559 | E559-T587 HydrophobicContact CG-CG2 4.47Å; E559-T587 VanDerWaalsContact CG-OG1 3.24Å; E559-T587 WeakPolarHBondContact CG-OG1 3.37Å; E559-T587 WeakPolarHBondContact OE1-CB 3.38Å; E559-T587 WeakPolarHBondContact OE1-CG2 3.2Å; E559-T587 PolarHBondContact OE1-N 2.88Å; E559-T587 PolarHBondContact OE1-OG1 2.93Å |
| 588 | P | 40.7 | Very low | 42.2 | Very low | 92 Ų | 92 | 102.8 Ų | 102.8 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | | | trans | -82.4 | 130.9 | 173 | 32 | -32.7 | 0 | 0 | 0 | 111.6 | V616 | P588-V616 HydrophobicContact CB-CB 4.48Å; P588-V616 HydrophobicContact CB-CG1 3.75Å; P588-V616 HydrophobicContact CB-CG2 3.93Å |
| 589 | V | 45 | Very low | 43.4 | Very low | 51 Ų | 51 | 102.2 Ų | 102.2 | 31% | 0.309 | 61% | 0.609 | S | S | . | * | | | trans | -129.8 | 115.1 | 171.8 | -174 | 0 | 0 | 0 | 0 | 108.1 | P561 E591 | P561-V589 HydrophobicContact CB-CB 4.34Å; P561-V589 HydrophobicContact CB-CG1 3.48Å; P561-V589 VanDerWaalsContact CB-CG1 3.48Å; P561-V589 HydrophobicContact CB-CG2 3.91Å; V589-E591 HydrophobicContact CG1-CG 3.88Å; V589-E591 PolarHBondContact O-N 2.84Å |
| 590 | S | 42.3 | Very low | 44.5 | Very low | 110 Ų | 110 | 101.2 Ų | 101.2 | 77% | 0.769 | 60% | 0.604 | S | S | * | * | | | trans | -81.6 | 110.1 | -177.6 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 591 | E | 44.1 | Very low | 45.5 | Very low | 81 Ų | 81 | 96.6 Ų | 96.6 | 38% | 0.379 | 59% | 0.585 | S | S | . | * | | | trans | -128.8 | 129.3 | -179.4 | -57.7 | -166.4 | 164.6 | 0 | 0 | 112.2 | V589 V593 | V589-E591 HydrophobicContact CG1-CG 3.88Å; V589-E591 PolarHBondContact O-N 2.84Å; E591-V593 HydrophobicContact CB-CG2 3.64Å; E591-V593 PolarHBondContact O-N 2.84Å |
| 592 | E | 42.4 | Very low | 45.9 | Very low | 195 Ų | 195 | 95.5 Ų | 95.5 | 91% | 0.911 | 58% | 0.575 | S | S | * | * | | | trans | -78.8 | 65 | 174.8 | -70.9 | -174.5 | 138.6 | 0 | 0 | 111.1 | T594 | E592-T594 PolarHBondContact O-N 3.28Š|
| 593 | V | 41.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 95.8 Ų | 95.8 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | | | trans | -74.6 | 91.9 | -173.8 | -177 | 0 | 0 | 0 | 0 | 111.9 | E591 T595 | E591-V593 HydrophobicContact CB-CG2 3.64Å; E591-V593 PolarHBondContact O-N 2.84Å; V593-T595 VanDerWaalsContact C-N 3.32Å; V593-T595 HydrophobicContact CG1-CG2 3.71Å; V593-T595 PolarHBondContact O-N 3.32Å |
| 594 | T | 44.4 | Very low | 46 | Very low | 136 Ų | 136 | 96 Ų | 96 | 83% | 0.834 | 57% | 0.574 | S | S | * | * | | | trans | -78.7 | 76.3 | 175 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | E592 | E592-T594 PolarHBondContact O-N 3.28Š|
| 595 | T | 44.2 | Very low | 45.8 | Very low | 93 Ų | 93 | 96.8 Ų | 96.8 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | | | trans | -84.5 | 136.4 | 176.3 | 35.6 | 0 | 0 | 0 | 0 | 112.6 | V593 | V593-T595 VanDerWaalsContact C-N 3.32Å; V593-T595 HydrophobicContact CG1-CG2 3.71Å; V593-T595 PolarHBondContact O-N 3.32Å |
| 596 | V | 53.2 | Low | 45.8 | Very low | 122 Ų | 122 | 98.7 Ų | 98.7 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | | | trans | -106.3 | 101.3 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | A598 | V596-A598 PolarHBondContact O-N 2.97Š|
| 597 | P | 51.4 | Low | 45.5 | Very low | 75 Ų | 75 | 100.9 Ų | 100.9 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -66 | 129.3 | -175.7 | 24.7 | -32.7 | 0 | 0 | 0 | 111.2 | A625 | P597-A625 HydrophobicContact CG-CB 4.06Š|
| 598 | A | 58.7 | Low | 45.5 | Very low | 45 Ų | 45 | 101.1 Ų | 101.1 | 37% | 0.372 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 144.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P570 V596 | P570-A598 HydrophobicContact CB-CB 4.45Å; V596-A598 PolarHBondContact O-N 2.97Å |
| 599 | P | 63.9 | Low | 45.4 | Very low | 106 Ų | 106 | 104.7 Ų | 104.7 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.1 | -178.7 | 25.4 | -34 | 0 | 0 | 0 | 110.6 | | |
| 600 | P | 61.4 | Low | 45 | Very low | 86 Ų | 86 | 106 Ų | 106 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146.1 | -178.3 | 25.9 | -33.6 | 0 | 0 | 0 | 111.3 | P628 | P600-P628 HydrophobicContact CG-CG 3.91Š|
| 601 | P | 54.6 | Low | 44.9 | Very low | 61 Ų | 61 | 104.5 Ų | 104.5 | 40% | 0.396 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 150.1 | 173.2 | 30.1 | -34.2 | 0 | 0 | 0 | 111 | P573 | P573-P601 HydrophobicContact CG-CG 3.96Š|
| 602 | A | 46.3 | Very low | 44.5 | Very low | 72 Ų | 72 | 103.8 Ų | 103.8 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -66.2 | 153.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 603 | D | 36.9 | Very low | 44.4 | Very low | 153 Ų | 153 | 100.4 Ų | 100.4 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | | | trans | 61.7 | 70 | 171.7 | -57.7 | -25.8 | 0 | 0 | 0 | 116.7 | | |
| 604 | V | 36.8 | Very low | 44.3 | Very low | 88 Ų | 88 | 100.2 Ų | 100.2 | 53% | 0.533 | 62% | 0.617 | S | S | . | * | | | trans | -134.4 | 136.3 | 164.9 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | V606 | V604-V606 HydrophobicContact CG1-CG2 4.08Š|
| 605 | S | 36.5 | Very low | 44.2 | Very low | 114 Ų | 114 | 98.8 Ų | 98.8 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | | | trans | -129.6 | 121.9 | 178.1 | 63 | 0 | 0 | 0 | 0 | 111.5 | | |
| 606 | V | 37.7 | Very low | 44.3 | Very low | 106 Ų | 106 | 96.9 Ų | 96.9 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | | | trans | -130.1 | 148.6 | -175.9 | -175.5 | 0 | 0 | 0 | 0 | 110 | V604 | V604-V606 HydrophobicContact CG1-CG2 4.08Š|
| 607 | I | 34.3 | Very low | 43.8 | Very low | 164 Ų | 164 | 96.3 Ų | 96.3 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | | | trans | -134.2 | 131.1 | 177.1 | -55.9 | 173.2 | 0 | 0 | 0 | 107.5 | | |
| 608 | A | 38 | Very low | 43.4 | Very low | 87 Ų | 87 | 96.4 Ų | 96.4 | 72% | 0.719 | 59% | 0.593 | S | S | * | * | | | trans | -149.4 | 146.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 609 | D | 39 | Very low | 42.6 | Very low | 168 Ų | 168 | 103.1 Ų | 103.1 | 90% | 0.898 | 62% | 0.617 | S | S | * | * | | | trans | -98.2 | 165.7 | 179.4 | -67.2 | -57.9 | 0 | 0 | 0 | 112 | | |
| 610 | S | 36.5 | Very low | 41.6 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | | | trans | -114 | 157 | -149.6 | -34.2 | 0 | 0 | 0 | 0 | 118.6 | I638 | S610-I638 PolarHBondContact OG-O 3.39Š|
| 611 | I | 40.2 | Very low | 40.9 | Very low | 78 Ų | 78 | 104.2 Ų | 104.2 | 40% | 0.4 | 62% | 0.62 | S | S | . | * | | | trans | 76.9 | 136.2 | 143.7 | -69.8 | 157 | 0 | 0 | 0 | 117.2 | E613 P639 | I611-E613 HydrophobicContact CG2-CG 4.03Å; I611-P639 HydrophobicContact CD1-CB 4.26Å; I611-P639 HydrophobicContact CD1-CG 3.63Å; I611-P639 WeakPolarHBondContact CD1-O 3.4Å |
| 612 | P | 37.3 | Very low | 40.4 | Very low | 66 Ų | 66 | 105.1 Ų | 105.1 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | | | | -118.9 | 146.6 | 56.7 | 6.1 | 19.1 | 0 | 0 | 0 | 116.5 | | |
| 613 | E | 40 | Very low | 40.7 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | | | | 76.2 | 68.4 | 71.8 | -67.1 | -172.6 | -133.7 | 0 | 0 | 117.4 | I611 T641 | I611-E613 HydrophobicContact CG2-CG 4.03Å; E613-T641 HydrophobicContact CG-CG2 3.74Å |
| 614 | T | 39 | Very low | 41.4 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | | | trans | -143.9 | 128.5 | 148.2 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | E586 | E586-T614 HydrophobicContact CG-CG2 3.99Š|
| 615 | P | 42.2 | Very low | 42.5 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 69% | 0.688 | 61% | 0.609 | S | S | * | * | | | trans | -80.5 | 132 | 178.4 | 31.5 | -33.9 | 0 | 0 | 0 | 112.2 | V643 | P615-V643 HydrophobicContact CB-CG1 4.16Å; P615-V643 HydrophobicContact CB-CG2 4.12Å |
| 616 | V | 46.2 | Very low | 43.8 | Very low | 53 Ų | 53 | 101.3 Ų | 101.3 | 32% | 0.321 | 60% | 0.603 | S | S | . | * | | | trans | -116.3 | 149.8 | 169.7 | -168.2 | 0 | 0 | 0 | 0 | 107.4 | P588 E618 | P588-V616 HydrophobicContact CB-CB 4.48Å; P588-V616 HydrophobicContact CB-CG1 3.75Å; P588-V616 HydrophobicContact CB-CG2 3.93Å; V616-E618 HydrophobicContact CG1-CG 3.83Å |
| 617 | S | 42.6 | Very low | 44.9 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | | | trans | -113 | 106.9 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 110 | | |
| 618 | E | 44 | Very low | 45.8 | Very low | 76 Ų | 76 | 95.1 Ų | 95.1 | 36% | 0.355 | 58% | 0.575 | S | S | . | * | | | trans | -127 | 133.4 | -176 | -55.1 | -159 | 140.7 | 0 | 0 | 111.7 | V616 V620 | V616-E618 HydrophobicContact CG1-CG 3.83Å; E618-V620 VanDerWaalsContact C-N 3.28Å; E618-V620 HydrophobicContact CB-CG2 3.7Å; E618-V620 PolarHBondContact O-N 3.42Å; E618-V620 VanDerWaalsContact O-N 3.09Å |
| 619 | E | 42.1 | Very low | 46.2 | Very low | 187 Ų | 187 | 94.1 Ų | 94.1 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | | | trans | -84.6 | 67.4 | 174.5 | -72.3 | -175.2 | 171.3 | 0 | 0 | 110.4 | T621 | E619-T621 PolarHBondContact O-N 3.37Å; E619-T621 VanDerWaalsContact O-N 3.1Å |
| 620 | V | 43.2 | Very low | 46.2 | Very low | 84 Ų | 84 | 92.9 Ų | 92.9 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | | | trans | -75.8 | 99.2 | -174.1 | -178.5 | 0 | 0 | 0 | 0 | 112 | E618 T622 | E618-V620 VanDerWaalsContact C-N 3.28Å; E618-V620 HydrophobicContact CB-CG2 3.7Å; E618-V620 PolarHBondContact O-N 3.42Å; E618-V620 VanDerWaalsContact O-N 3.09Å; V620-T622 HydrophobicContact CG1-CG2 3.75Å; V620-T622 PolarHBondContact O-N 2.83Å; V620-T622 VanDerWaalsContact O-N 3.15Å |
| 621 | T | 44.8 | Very low | 46.1 | Very low | 130 Ų | 130 | 92.8 Ų | 92.8 | 80% | 0.798 | 56% | 0.556 | S | S | * | * | | | trans | -86 | 77.7 | 175.6 | -53 | 0 | 0 | 0 | 0 | 111.5 | E619 | E619-T621 PolarHBondContact O-N 3.37Å; E619-T621 VanDerWaalsContact O-N 3.1Å |
| 622 | T | 45 | Very low | 45.9 | Very low | 81 Ų | 81 | 94.4 Ų | 94.4 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | | | trans | -83.1 | 140.9 | 176.2 | 37.8 | 0 | 0 | 0 | 0 | 113.1 | V620 | V620-T622 HydrophobicContact CG1-CG2 3.75Å; V620-T622 PolarHBondContact O-N 2.83Å; V620-T622 VanDerWaalsContact O-N 3.15Å |
| 623 | V | 52.8 | Low | 45.9 | Very low | 123 Ų | 123 | 95.7 Ų | 95.7 | 75% | 0.745 | 58% | 0.581 | S | S | * | * | | | trans | -111.8 | 101.6 | 166.5 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | A625 | V623-A625 PolarHBondContact O-N 2.9Š|
| 624 | P | 51.5 | Low | 45.6 | Very low | 76 Ų | 76 | 97.3 Ų | 97.3 | 49% | 0.494 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 129.9 | -174.9 | 24.8 | -33 | 0 | 0 | 0 | 111.4 | A652 | P624-A652 HydrophobicContact CG-CB 4.35Š|
| 625 | A | 59.6 | Low | 45.6 | Very low | 45 Ų | 45 | 97.5 Ų | 97.5 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 146.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | P597 V623 | P597-A625 HydrophobicContact CG-CB 4.06Å; V623-A625 PolarHBondContact O-N 2.9Å |
| 626 | P | 63 | Low | 45.4 | Very low | 103 Ų | 103 | 100.2 Ų | 100.2 | 67% | 0.669 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.1 | -179.8 | 26 | -34.2 | 0 | 0 | 0 | 110.7 | | |
| 627 | P | 62 | Low | 44.9 | Very low | 84 Ų | 84 | 102.1 Ų | 102.1 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 146.1 | -179.2 | 26.3 | -34.4 | 0 | 0 | 0 | 111.4 | P655 | P627-P655 HydrophobicContact CG-CG 4Š|
| 628 | P | 53.8 | Low | 44.9 | Very low | 55 Ų | 55 | 100.8 Ų | 100.8 | 36% | 0.357 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 149.6 | 171.8 | 30.4 | -34.3 | 0 | 0 | 0 | 110.9 | P600 | P600-P628 HydrophobicContact CG-CG 3.91Š|
| 629 | A | 46.4 | Very low | 44.5 | Very low | 67 Ų | 67 | 100.7 Ų | 100.7 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -68.3 | 152.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 630 | D | 37 | Very low | 44.4 | Very low | 141 Ų | 141 | 97.6 Ų | 97.6 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | | | trans | 61.2 | 71.7 | 170.5 | -56.7 | -23.4 | 0 | 0 | 0 | 116.9 | | |
| 631 | V | 36.3 | Very low | 44.2 | Very low | 78 Ų | 78 | 97.5 Ų | 97.5 | 47% | 0.473 | 60% | 0.601 | S | S | . | * | | | trans | -136.3 | 138.2 | 164.4 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | V633 | V631-V633 HydrophobicContact CG1-CG2 4.08Š|
| 632 | S | 36.2 | Very low | 44.1 | Very low | 111 Ų | 111 | 96 Ų | 96 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | | | trans | -130.9 | 121.4 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 633 | V | 37.2 | Very low | 44.2 | Very low | 94 Ų | 94 | 94.7 Ų | 94.7 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | | | trans | -130.7 | 149 | -176.1 | -176.3 | 0 | 0 | 0 | 0 | 110 | V631 | V631-V633 HydrophobicContact CG1-CG2 4.08Š|
| 634 | I | 33.9 | Very low | 43.7 | Very low | 158 Ų | 158 | 94.1 Ų | 94.1 | 81% | 0.81 | 59% | 0.586 | S | S | * | * | | | trans | -130.2 | 129.3 | 176.9 | -56.1 | 172.8 | 0 | 0 | 0 | 107.7 | | |
| 635 | A | 37.1 | Very low | 43.4 | Very low | 86 Ų | 86 | 94.5 Ų | 94.5 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | | | trans | -150.6 | 140.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 636 | D | 38.6 | Very low | 42.6 | Very low | 162 Ų | 162 | 101.5 Ų | 101.5 | 87% | 0.866 | 61% | 0.607 | S | S | * | * | | | trans | -90.3 | 163.1 | 176.9 | -60 | -57 | 0 | 0 | 0 | 111.5 | | |
| 637 | S | 36.5 | Very low | 41.6 | Very low | 93 Ų | 93 | 99.7 Ų | 99.7 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | | | trans | -160.6 | 176.2 | -172.7 | -79.9 | 0 | 0 | 0 | 0 | 113 | | |
| 638 | I | 41.1 | Very low | 40.8 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 43% | 0.426 | 61% | 0.605 | S | S | . | * | | | cis | -112 | -89.4 | 3.1 | -20.5 | 175.8 | 0 | 0 | 0 | 111.6 | S610 | S610-I638 PolarHBondContact OG-O 3.39Š|
| 639 | P | 36.7 | Very low | 40.4 | Very low | 73 Ų | 73 | 103 Ų | 103 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | | | cis | -57.3 | 160.9 | -34.7 | 14.7 | -24.3 | 0 | 0 | 0 | 115.3 | I611 | I611-P639 HydrophobicContact CD1-CB 4.26Å; I611-P639 HydrophobicContact CD1-CG 3.63Å; I611-P639 WeakPolarHBondContact CD1-O 3.4Å |
| 640 | E | 40.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | | | | 80.3 | 69.7 | 57.8 | -54 | -175.1 | -132.1 | 0 | 0 | 117.4 | T668 | E640-T668 HydrophobicContact CB-CG2 4.41Å; E640-T668 HydrophobicContact CG-CG2 3.53Å |
| 641 | T | 38.6 | Very low | 41.4 | Very low | 83 Ų | 83 | 102.6 Ų | 102.6 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | | | trans | -144.9 | 134 | 141.3 | 34.4 | 0 | 0 | 0 | 0 | 111.2 | E613 | E613-T641 HydrophobicContact CG-CG2 3.74Š|
| 642 | P | 43 | Very low | 42.6 | Very low | 98 Ų | 98 | 101.1 Ų | 101.1 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | | | trans | -83.2 | 129.1 | 179.1 | 31.6 | -33.4 | 0 | 0 | 0 | 112.2 | V670 | P642-V670 HydrophobicContact CB-CG1 4.13Å; P642-V670 HydrophobicContact CB-CG2 4.16Å |
| 643 | V | 45.6 | Very low | 43.9 | Very low | 54 Ų | 54 | 100.8 Ų | 100.8 | 33% | 0.327 | 60% | 0.599 | S | S | . | * | | | trans | -107.3 | 152.1 | 165.8 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | P615 E645 | P615-V643 HydrophobicContact CB-CG1 4.16Å; P615-V643 HydrophobicContact CB-CG2 4.12Å; V643-E645 HydrophobicContact CG1-CG 3.95Å |
| 644 | S | 42.8 | Very low | 45.1 | Very low | 110 Ų | 110 | 100.2 Ų | 100.2 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | | | trans | -113.2 | 104.8 | 176.7 | 61.3 | 0 | 0 | 0 | 0 | 110 | | |
| 645 | E | 44.8 | Very low | 46 | Very low | 84 Ų | 84 | 95.4 Ų | 95.4 | 39% | 0.393 | 58% | 0.577 | S | S | . | * | | | trans | -119.9 | 135.8 | -177.9 | -60.6 | -171.8 | 171.5 | 0 | 0 | 111.2 | V643 V647 | V643-E645 HydrophobicContact CG1-CG 3.95Å; E645-V647 VanDerWaalsContact C-N 3.31Å; E645-V647 HydrophobicContact CB-CG2 3.63Å; E645-V647 PolarHBondContact O-N 3.03Å |
| 646 | E | 43.1 | Very low | 46.4 | Very low | 192 Ų | 192 | 94.7 Ų | 94.7 | 90% | 0.897 | 57% | 0.571 | S | S | * | * | | | trans | -87.5 | 67.7 | 171.7 | -75.6 | -171.8 | 170.8 | 0 | 0 | 110.2 | T648 | E646-T648 PolarHBondContact O-N 3.2Å; E646-T648 VanDerWaalsContact O-N 3.13Å |
| 647 | V | 43 | Very low | 46.4 | Very low | 66 Ų | 66 | 93.5 Ų | 93.5 | 40% | 0.4 | 57% | 0.565 | S | S | . | * | | | trans | -74.9 | 102.3 | -174.5 | -177 | 0 | 0 | 0 | 0 | 111.9 | E645 T649 | E645-V647 VanDerWaalsContact C-N 3.31Å; E645-V647 HydrophobicContact CB-CG2 3.63Å; E645-V647 PolarHBondContact O-N 3.03Å; V647-T649 HydrophobicContact CG1-CG2 3.77Å; V647-T649 PolarHBondContact O-N 2.82Å |
| 648 | T | 44.5 | Very low | 46.3 | Very low | 129 Ų | 129 | 92.5 Ų | 92.5 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | | | trans | -89.2 | 76.6 | 175.3 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | E646 | E646-T648 PolarHBondContact O-N 3.2Å; E646-T648 VanDerWaalsContact O-N 3.13Å |
| 649 | T | 44.9 | Very low | 46 | Very low | 78 Ų | 78 | 94.1 Ų | 94.1 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | | | trans | -80.6 | 145.3 | 175.9 | 38 | 0 | 0 | 0 | 0 | 113.1 | V647 | V647-T649 HydrophobicContact CG1-CG2 3.77Å; V647-T649 PolarHBondContact O-N 2.82Å |
| 650 | V | 54.2 | Low | 46.1 | Very low | 124 Ų | 124 | 95.1 Ų | 95.1 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | | | trans | -116.9 | 104.3 | 166.8 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | A652 | V650-A652 PolarHBondContact O-N 3.23Š|
| 651 | P | 51.7 | Low | 45.7 | Very low | 76 Ų | 76 | 96.9 Ų | 96.9 | 49% | 0.494 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -60 | 128.7 | -176.5 | -26.6 | 35.4 | 0 | 0 | 0 | 112.7 | | |
| 652 | A | 60.6 | Low | 45.7 | Very low | 47 Ų | 47 | 96.6 Ų | 96.6 | 39% | 0.388 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 144.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P624 V650 | P624-A652 HydrophobicContact CG-CB 4.35Å; V650-A652 PolarHBondContact O-N 3.23Å |
| 653 | P | 63.2 | Low | 45.4 | Very low | 104 Ų | 104 | 100 Ų | 100 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.7 | 179.4 | 26.4 | -34 | 0 | 0 | 0 | 110.4 | | |
| 654 | P | 62.3 | Low | 44.9 | Very low | 83 Ų | 83 | 102.3 Ų | 102.3 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 146.4 | -177.6 | 26.4 | -33.9 | 0 | 0 | 0 | 111.4 | P682 | P654-P682 HydrophobicContact CG-CG 3.98Š|
| 655 | P | 53.8 | Low | 44.6 | Very low | 57 Ų | 57 | 104 Ų | 104 | 37% | 0.37 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 148.7 | 171.8 | 29.9 | -34.3 | 0 | 0 | 0 | 110.8 | P627 | P627-P655 HydrophobicContact CG-CG 4Š|
| 656 | A | 45.9 | Very low | 44.2 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -70.2 | 151.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 657 | D | 37 | Very low | 44.1 | Very low | 138 Ų | 138 | 98.9 Ų | 98.9 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | | | trans | 60.6 | 76.6 | 171.6 | -55.8 | -25.4 | 0 | 0 | 0 | 116.6 | | |
| 658 | V | 34.8 | Very low | 43.8 | Very low | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | | | trans | -137.5 | 138.7 | 164.5 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | V660 | V658-V660 HydrophobicContact CG1-CG2 4.09Š|
| 659 | S | 36.2 | Very low | 43.7 | Very low | 116 Ų | 116 | 97.6 Ų | 97.6 | 81% | 0.811 | 60% | 0.601 | S | S | * | * | | | trans | -132.7 | 120.9 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 660 | V | 37.1 | Very low | 43.7 | Very low | 95 Ų | 95 | 96.4 Ų | 96.4 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | | | trans | -130.8 | 147.7 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | V658 | V658-V660 HydrophobicContact CG1-CG2 4.09Š|
| 661 | I | 33.4 | Very low | 43.2 | Very low | 158 Ų | 158 | 95.8 Ų | 95.8 | 81% | 0.81 | 59% | 0.594 | S | S | * | * | | | trans | -127.5 | 128.1 | 175.5 | -57.1 | 171.2 | 0 | 0 | 0 | 107.4 | | |
| 662 | A | 36.9 | Very low | 42.8 | Very low | 77 Ų | 77 | 96.1 Ų | 96.1 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | | | trans | -148.3 | 134 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 663 | D | 37.8 | Very low | 42 | Very low | 171 Ų | 171 | 103.3 Ų | 103.3 | 91% | 0.914 | 62% | 0.615 | S | S | * | * | | | trans | -77.5 | 147.2 | 175.3 | -65.1 | -59.9 | 0 | 0 | 0 | 111.1 | | |
| 664 | S | 34.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 101.3 Ų | 101.3 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | | | trans | -127 | 143.3 | -174.8 | -65 | 0 | 0 | 0 | 0 | 113.2 | | |
| 665 | I | 37.6 | Very low | 40.2 | Very low | 147 Ų | 147 | 103.7 Ų | 103.7 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | | | trans | 166.1 | 145.5 | 165.4 | -99.5 | 155.5 | 0 | 0 | 0 | 109.5 | | |
| 666 | P | 36.3 | Very low | 39.9 | Very low | 60 Ų | 60 | 104.9 Ų | 104.9 | 39% | 0.39 | 62% | 0.62 | S | S | . | * | | | cis | -137.3 | 141.4 | -20 | 38 | -19.1 | 0 | 0 | 0 | 117.1 | | |
| 667 | E | 39.8 | Very low | 40.2 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 51% | 0.505 | 63% | 0.629 | S | S | . | * | | | | 52.9 | 97.8 | 123 | -44.7 | 176.7 | 142.3 | 0 | 0 | 122.5 | T695 | E667-T695 WeakPolarHBondContact CG-OG1 3.49Å; E667-T695 VanDerWaalsContact OE1-CB 3.28Å; E667-T695 WeakPolarHBondContact OE1-CB 3.39Å; E667-T695 WeakPolarHBondContact OE1-CG2 3.42Å; E667-T695 PolarHBondContact OE1-N 2.84Å; E667-T695 PolarHBondContact OE1-OG1 3.47Å |
| 668 | T | 37.6 | Very low | 40.9 | Very low | 68 Ų | 68 | 104.4 Ų | 104.4 | 42% | 0.417 | 62% | 0.616 | S | S | . | * | | | trans | -140.7 | 133.9 | 138.1 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | E640 V670 | E640-T668 HydrophobicContact CB-CG2 4.41Å; E640-T668 HydrophobicContact CG-CG2 3.53Å; T668-V670 PolarHBondContact O-N 3.1Å |
| 669 | P | 42.7 | Very low | 42.2 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | | | trans | -76.2 | 122.8 | 178.5 | 29.9 | -33.9 | 0 | 0 | 0 | 112.2 | V697 | P669-V697 HydrophobicContact CB-CG1 3.96Å; P669-V697 HydrophobicContact CB-CG2 4.11Å |
| 670 | V | 45.6 | Very low | 43.5 | Very low | 52 Ų | 52 | 102.7 Ų | 102.7 | 32% | 0.315 | 61% | 0.608 | S | S | . | * | | | trans | -97.6 | 157.8 | 161.3 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | P642 T668 E672 | P642-V670 HydrophobicContact CB-CG1 4.13Å; P642-V670 HydrophobicContact CB-CG2 4.16Å; T668-V670 PolarHBondContact O-N 3.1Å; V670-E672 HydrophobicContact CG1-CG 3.95Å |
| 671 | S | 42.7 | Very low | 44.7 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | | | trans | -119.4 | 103.6 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 672 | E | 44.4 | Very low | 45.7 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 39% | 0.393 | 59% | 0.587 | S | S | . | * | | | trans | -118.5 | 137 | -177.7 | -60.1 | -172 | 175.4 | 0 | 0 | 111.3 | V670 V674 | V670-E672 HydrophobicContact CG1-CG 3.95Å; E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 HydrophobicContact CB-CG2 3.54Å; E672-V674 PolarHBondContact O-N 2.85Å |
| 673 | E | 42.7 | Very low | 46 | Very low | 197 Ų | 197 | 97.4 Ų | 97.4 | 92% | 0.921 | 59% | 0.586 | S | S | * | * | | | trans | -89 | 64 | 172.3 | -75.2 | -172.3 | -172.4 | 0 | 0 | 110.4 | T675 | E673-T675 PolarHBondContact O-N 3.4Å; E673-T675 VanDerWaalsContact O-N 3.11Å |
| 674 | V | 43.8 | Very low | 46 | Very low | 62 Ų | 62 | 95.9 Ų | 95.9 | 38% | 0.376 | 58% | 0.577 | S | S | . | * | | | trans | -76 | 102 | -173.2 | -160.6 | 0 | 0 | 0 | 0 | 112.1 | E672 T676 | E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 HydrophobicContact CB-CG2 3.54Å; E672-V674 PolarHBondContact O-N 2.85Å; V674-T676 HydrophobicContact CG1-CG2 3.66Å; V674-T676 PolarHBondContact O-N 2.8Å; V674-T676 VanDerWaalsContact O-N 3.08Å |
| 675 | T | 44.9 | Very low | 46 | Very low | 133 Ų | 133 | 94.7 Ų | 94.7 | 82% | 0.816 | 57% | 0.566 | S | S | * | * | | | trans | -84.4 | 76.3 | 176.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | E673 | E673-T675 PolarHBondContact O-N 3.4Å; E673-T675 VanDerWaalsContact O-N 3.11Å |
| 676 | T | 45.8 | Very low | 46 | Very low | 83 Ų | 83 | 93.2 Ų | 93.2 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | | | trans | -76.5 | 148 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 113 | V674 | V674-T676 HydrophobicContact CG1-CG2 3.66Å; V674-T676 PolarHBondContact O-N 2.8Å; V674-T676 VanDerWaalsContact O-N 3.08Å |
| 677 | V | 53.9 | Low | 46 | Very low | 124 Ų | 124 | 95.4 Ų | 95.4 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | | | trans | -122.2 | 102.9 | 166.8 | 180 | 0 | 0 | 0 | 0 | 107.7 | A679 | V677-A679 PolarHBondContact O-N 2.82Š|
| 678 | P | 51.6 | Low | 45.7 | Very low | 74 Ų | 74 | 98 Ų | 98 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 128.6 | -176.2 | -27.1 | 35.7 | 0 | 0 | 0 | 112.9 | | |
| 679 | A | 61.8 | Low | 45.7 | Very low | 48 Ų | 48 | 98.5 Ų | 98.5 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 144.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V677 | V677-A679 PolarHBondContact O-N 2.82Š|
| 680 | P | 63 | Low | 45.5 | Very low | 103 Ų | 103 | 101.6 Ų | 101.6 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.7 | 179 | 26.7 | -34.1 | 0 | 0 | 0 | 110.4 | | |
| 681 | P | 62 | Low | 45.3 | Very low | 86 Ų | 86 | 103.9 Ų | 103.9 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.9 | -178.1 | 26.7 | -34.1 | 0 | 0 | 0 | 111.2 | P709 | P681-P709 HydrophobicContact CG-CG 4.16Š|
| 682 | P | 53.8 | Low | 45 | Very low | 60 Ų | 60 | 105.8 Ų | 105.8 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 148.4 | 170.4 | 29.3 | -33.5 | 0 | 0 | 0 | 110.7 | P654 | P654-P682 HydrophobicContact CG-CG 3.98Š|
| 683 | A | 45 | Very low | 44.7 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -70.7 | 151.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 684 | D | 36.5 | Very low | 44.5 | Very low | 138 Ų | 138 | 99.8 Ų | 99.8 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | | | trans | 60.5 | 76.7 | 172.2 | -55.2 | -26 | 0 | 0 | 0 | 116.2 | | |
| 685 | V | 34.7 | Very low | 44.2 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | | | trans | -135.7 | 136.6 | 163.7 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | V687 | V685-V687 HydrophobicContact CG1-CG2 4.02Š|
| 686 | S | 37.1 | Very low | 44.1 | Very low | 116 Ų | 116 | 98 Ų | 98 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | | | trans | -127.4 | 119.9 | 177.7 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 687 | V | 36.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 96.9 Ų | 96.9 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | | | trans | -125.6 | 146.4 | -175.3 | -175 | 0 | 0 | 0 | 0 | 110 | V685 | V685-V687 HydrophobicContact CG1-CG2 4.02Š|
| 688 | I | 33.9 | Very low | 43.5 | Very low | 162 Ų | 162 | 96.3 Ų | 96.3 | 83% | 0.831 | 60% | 0.6 | S | S | * | * | | | trans | -128.5 | 127.7 | 173.9 | -57.3 | 172.1 | 0 | 0 | 0 | 106.8 | | |
| 689 | A | 37.7 | Very low | 43.2 | Very low | 78 Ų | 78 | 96.7 Ų | 96.7 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | | | trans | -146.8 | 133 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 690 | D | 37.9 | Very low | 42.3 | Very low | 166 Ų | 166 | 103.7 Ų | 103.7 | 89% | 0.888 | 62% | 0.62 | S | S | * | * | | | trans | -77.8 | 141.8 | 175.1 | -64.3 | -56.9 | 0 | 0 | 0 | 110.7 | | |
| 691 | S | 40.7 | Very low | 41.3 | Very low | 100 Ų | 100 | 101.8 Ų | 101.8 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | | | trans | -119.2 | 137.8 | -176.9 | -64.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 692 | I | 37 | Very low | 40.5 | Very low | 151 Ų | 151 | 104 Ų | 104 | 77% | 0.774 | 62% | 0.618 | S | S | * | * | | | trans | -142.9 | 142.4 | 172.9 | -70.2 | -172.2 | 0 | 0 | 0 | 108.3 | | |
| 693 | P | 37.2 | Very low | 40.1 | Very low | 73 Ų | 73 | 104.9 Ų | 104.9 | 47% | 0.474 | 62% | 0.622 | S | S | . | * | | | trans | -118.9 | 149.9 | -135.1 | 41.1 | -33.2 | 0 | 0 | 0 | 118.6 | T722 | P693-T722 HydrophobicContact CB-CG2 4.29Å; P693-T722 HydrophobicContact CG-CG2 4.31Å |
| 694 | E | 39.9 | Very low | 40.5 | Very low | 81 Ų | 81 | 107.2 Ų | 107.2 | 38% | 0.379 | 63% | 0.629 | S | S | . | * | | | trans | 53.5 | 125.9 | 131.2 | -61.2 | 173.4 | -127 | 0 | 0 | 124.4 | T722 | E694-T722 HydrophobicContact CB-CG2 4.15Å; E694-T722 HydrophobicContact CG-CG2 4.5Å; E694-T722 PolarHBondContact OE1-N 3.3Å; E694-T722 VanDerWaalsContact OE2-C 3.24Å; E694-T722 WeakPolarHBondContact OE2-CA 3.36Å; E694-T722 WeakPolarHBondContact OE2-CB 3.34Å; E694-T722 PolarHBondContact OE2-N 3.39Å; E694-T722 PolarHBondContact OE2-OG1 2.88Å |
| 695 | T | 36.9 | Very low | 41.2 | Very low | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.472 | 62% | 0.617 | S | S | . | * | | | trans | -121.3 | 150.2 | 130.1 | 24 | 0 | 0 | 0 | 0 | 111.2 | E667 | E667-T695 WeakPolarHBondContact CG-OG1 3.49Å; E667-T695 VanDerWaalsContact OE1-CB 3.28Å; E667-T695 WeakPolarHBondContact OE1-CB 3.39Å; E667-T695 WeakPolarHBondContact OE1-CG2 3.42Å; E667-T695 PolarHBondContact OE1-N 2.84Å; E667-T695 PolarHBondContact OE1-OG1 3.47Å |
| 696 | P | 43.5 | Very low | 42.6 | Very low | 82 Ų | 82 | 103 Ų | 103 | 53% | 0.532 | 62% | 0.615 | S | S | . | * | | | trans | -76.8 | 124.5 | 175.3 | 30.2 | -34.3 | 0 | 0 | 0 | 112.2 | V724 | P696-V724 HydrophobicContact CB-CB 4.39Å; P696-V724 HydrophobicContact CB-CG1 3.87Å; P696-V724 HydrophobicContact CB-CG2 4.16Å |
| 697 | V | 45.4 | Very low | 43.9 | Very low | 58 Ų | 58 | 102.4 Ų | 102.4 | 35% | 0.352 | 61% | 0.608 | S | S | . | * | | | trans | -95.7 | 154.5 | 160.2 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | P669 E699 | P669-V697 HydrophobicContact CB-CG1 3.96Å; P669-V697 HydrophobicContact CB-CG2 4.11Å; V697-E699 HydrophobicContact CG1-CG 4.04Å |
| 698 | S | 42.2 | Very low | 45.1 | Very low | 112 Ų | 112 | 101.4 Ų | 101.4 | 78% | 0.783 | 60% | 0.604 | S | S | * | * | | | trans | -117.4 | 102.9 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 699 | E | 44.2 | Very low | 46.1 | Very low | 82 Ų | 82 | 96.5 Ų | 96.5 | 38% | 0.383 | 58% | 0.583 | S | S | . | * | | | trans | -118.3 | 139.3 | -179.4 | -60 | -169 | 165.5 | 0 | 0 | 111.6 | V697 V701 | V697-E699 HydrophobicContact CG1-CG 4.04Å; E699-V701 VanDerWaalsContact C-N 3.33Å; E699-V701 HydrophobicContact CB-CG2 3.58Å; E699-V701 PolarHBondContact O-N 3Å |
| 700 | E | 42.1 | Very low | 46.4 | Very low | 196 Ų | 196 | 96.4 Ų | 96.4 | 92% | 0.916 | 58% | 0.582 | S | S | * | * | | | trans | -88.7 | 64.8 | 172.5 | -75.3 | -170.5 | 173.3 | 0 | 0 | 110.7 | T702 | E700-T702 PolarHBondContact O-N 2.87Å; E700-T702 VanDerWaalsContact O-N 3.11Å |
| 701 | V | 43.6 | Very low | 46.4 | Very low | 62 Ų | 62 | 95.4 Ų | 95.4 | 38% | 0.376 | 58% | 0.576 | S | S | . | * | | | trans | -76.6 | 101.4 | -173.6 | -161.3 | 0 | 0 | 0 | 0 | 112.2 | E699 T703 | E699-V701 VanDerWaalsContact C-N 3.33Å; E699-V701 HydrophobicContact CB-CG2 3.58Å; E699-V701 PolarHBondContact O-N 3Å; V701-T703 HydrophobicContact CG1-CG2 3.68Å; V701-T703 PolarHBondContact O-N 3.11Å |
| 702 | T | 44.2 | Very low | 46.2 | Very low | 134 Ų | 134 | 94.6 Ų | 94.6 | 82% | 0.822 | 57% | 0.567 | S | S | * | * | | | trans | -83.6 | 77.5 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | E700 | E700-T702 PolarHBondContact O-N 2.87Å; E700-T702 VanDerWaalsContact O-N 3.11Å |
| 703 | T | 45 | Very low | 46.2 | Very low | 77 Ų | 77 | 93.1 Ų | 93.1 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | | | trans | -77.2 | 148.2 | 177.2 | 62.7 | 0 | 0 | 0 | 0 | 113 | V701 | V701-T703 HydrophobicContact CG1-CG2 3.68Å; V701-T703 PolarHBondContact O-N 3.11Å |
| 704 | V | 54 | Low | 46.2 | Very low | 124 Ų | 124 | 94.6 Ų | 94.6 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | | | trans | -122.3 | 103.1 | 167.2 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | A706 | V704-A706 PolarHBondContact O-N 2.65Š|
| 705 | P | 52 | Low | 46 | Very low | 75 Ų | 75 | 98 Ų | 98 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 128.6 | -176.1 | -26.9 | 35.6 | 0 | 0 | 0 | 112.9 | | |
| 706 | A | 62.9 | Low | 46.1 | Very low | 51 Ų | 51 | 97.9 Ų | 97.9 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 143.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V704 | V704-A706 PolarHBondContact O-N 2.65Š|
| 707 | P | 64.1 | Low | 45.9 | Very low | 104 Ų | 104 | 101.8 Ų | 101.8 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133.2 | 178.9 | 26.6 | -34 | 0 | 0 | 0 | 110.3 | | |
| 708 | P | 62.9 | Low | 45.6 | Very low | 84 Ų | 84 | 103.6 Ų | 103.6 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 148.4 | -178 | 26.5 | -34.2 | 0 | 0 | 0 | 111.3 | P736 | P708-P736 HydrophobicContact CG-CG 4.21Š|
| 709 | P | 54.7 | Low | 45.5 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 39% | 0.39 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 147.5 | 170.4 | 28.7 | -33.8 | 0 | 0 | 0 | 110.5 | P681 V712 | P681-P709 HydrophobicContact CG-CG 4.16Å; P709-V712 HydrophobicContact CG-CG2 4.5Å |
| 710 | A | 44.5 | Very low | 45.2 | Very low | 75 Ų | 75 | 103.1 Ų | 103.1 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -70.1 | 151.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 711 | D | 37.6 | Very low | 45.1 | Very low | 146 Ų | 146 | 97.4 Ų | 97.4 | 78% | 0.781 | 60% | 0.603 | S | S | * | * | | | trans | 61.5 | 76.2 | 173.9 | -54 | -28.9 | 0 | 0 | 0 | 116 | | |
| 712 | V | 35.4 | Very low | 44.8 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | | | trans | -134.7 | 136.6 | 164.7 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | P709 V714 | P709-V712 HydrophobicContact CG-CG2 4.5Å; V712-V714 HydrophobicContact CG1-CG2 4.03Å |
| 713 | S | 37.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 94.7 Ų | 94.7 | 84% | 0.839 | 59% | 0.588 | S | S | * | * | | | trans | -130 | 120.1 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 714 | V | 37.7 | Very low | 44.8 | Very low | 104 Ų | 104 | 93.2 Ų | 93.2 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | | | trans | -124.9 | 146.7 | -175.1 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | V712 | V712-V714 HydrophobicContact CG1-CG2 4.03Š|
| 715 | I | 34.9 | Very low | 44.3 | Very low | 152 Ų | 152 | 92.3 Ų | 92.3 | 78% | 0.779 | 58% | 0.578 | S | S | * | * | | | trans | -127.2 | 130.6 | 172.8 | -56.4 | 173 | 0 | 0 | 0 | 106.6 | | |
| 716 | A | 38.7 | Very low | 43.9 | Very low | 75 Ų | 75 | 92.9 Ų | 92.9 | 62% | 0.62 | 57% | 0.574 | S | S | * | * | | | trans | -145.5 | 134.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 717 | D | 39.3 | Very low | 43 | Very low | 164 Ų | 164 | 99.8 Ų | 99.8 | 88% | 0.877 | 60% | 0.597 | S | S | * | * | | | trans | -83.6 | 143.7 | 172.4 | -61.4 | -57.2 | 0 | 0 | 0 | 109.8 | | |
| 718 | S | 39.3 | Very low | 42 | Very low | 95 Ų | 95 | 97.8 Ų | 97.8 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | | | trans | -145.8 | 126.7 | -170.7 | -61.1 | 0 | 0 | 0 | 0 | 115 | | |
| 719 | I | 39.5 | Very low | 41.2 | Very low | 108 Ų | 108 | 100 Ų | 100 | 55% | 0.554 | 60% | 0.596 | S | S | * | * | | | trans | -176.8 | 167.6 | 149.2 | 7.3 | 164.8 | 0 | 0 | 0 | 109.2 | P747 | I719-P747 HydrophobicContact CD1-CG 4.08Å; I719-P747 HydrophobicContact CG2-CB 4.37Å; I719-P747 HydrophobicContact CG2-CG 4.45Å; I719-P747 WeakPolarHBondContact CG2-O 3.27Å |
| 720 | P | 38.4 | Very low | 40.7 | Very low | 77 Ų | 77 | 100.7 Ų | 100.7 | 50% | 0.5 | 60% | 0.599 | S | S | . | * | | | cis | -117.4 | 142.4 | -41.3 | 16.9 | 5.1 | 0 | 0 | 0 | 111.9 | | |
| 721 | E | 40.9 | Very low | 41.1 | Very low | 76 Ų | 76 | 103.1 Ų | 103.1 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | | | | 79.2 | 106.9 | 67.1 | -64.8 | 176.2 | -82.1 | 0 | 0 | 117.1 | E748 T749 | E721-E748 PolarHBondContact OE1-N 3.04Å; E721-E748 VanDerWaalsContact OE1-N 3.15Å; E721-T749 HydrophobicContact CB-CG2 3.97Å; E721-T749 VanDerWaalsContact CD-OG1 3.27Å; E721-T749 PolarHBondContact OE1-N 2.79Å; E721-T749 VanDerWaalsContact OE2-CA 3.29Å; E721-T749 WeakPolarHBondContact OE2-CA 3.3Å; E721-T749 WeakPolarHBondContact OE2-CB 3.29Å; E721-T749 PolarHBondContact OE2-N 3.26Å; E721-T749 PolarHBondContact OE2-OG1 3.32Å |
| 722 | T | 36.3 | Very low | 41.8 | Very low | 60 Ų | 60 | 99.4 Ų | 99.4 | 37% | 0.368 | 59% | 0.59 | S | S | . | * | | | trans | -132 | 161.3 | 140 | 109.5 | 0 | 0 | 0 | 0 | 111 | P693 E694 | P693-T722 HydrophobicContact CB-CG2 4.29Å; P693-T722 HydrophobicContact CG-CG2 4.31Å; E694-T722 HydrophobicContact CB-CG2 4.15Å; E694-T722 HydrophobicContact CG-CG2 4.5Å; E694-T722 PolarHBondContact OE1-N 3.3Å; E694-T722 VanDerWaalsContact OE2-C 3.24Å; E694-T722 WeakPolarHBondContact OE2-CA 3.36Å; E694-T722 WeakPolarHBondContact OE2-CB 3.34Å; E694-T722 PolarHBondContact OE2-N 3.39Å; E694-T722 PolarHBondContact OE2-OG1 2.88Å |
| 723 | P | 43.5 | Very low | 43.1 | Very low | 79 Ų | 79 | 98 Ų | 98 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | | | trans | -93 | 116.5 | -175.1 | 33.2 | -32.3 | 0 | 0 | 0 | 113.6 | V751 | P723-V751 HydrophobicContact CB-CB 4.41Å; P723-V751 HydrophobicContact CB-CG1 3.95Å; P723-V751 HydrophobicContact CB-CG2 4.22Å |
| 724 | V | 46.4 | Very low | 44.4 | Very low | 45 Ų | 45 | 97.3 Ų | 97.3 | 27% | 0.273 | 58% | 0.579 | S | S | . | * | | | trans | -82.3 | 155.7 | 161.9 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | P696 E726 | P696-V724 HydrophobicContact CB-CB 4.39Å; P696-V724 HydrophobicContact CB-CG1 3.87Å; P696-V724 HydrophobicContact CB-CG2 4.16Å; V724-E726 HydrophobicContact CG1-CG 3.84Å |
| 725 | S | 42.3 | Very low | 45.5 | Very low | 106 Ų | 106 | 96.2 Ų | 96.2 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | | | trans | -123.5 | 99.2 | 175.9 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 726 | E | 45.4 | Very low | 46.4 | Very low | 86 Ų | 86 | 91.8 Ų | 91.8 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | | | trans | -115.8 | 140.7 | -179.1 | -57.8 | -167.6 | 167.6 | 0 | 0 | 111.9 | V724 V728 | V724-E726 HydrophobicContact CG1-CG 3.84Å; E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 HydrophobicContact CB-CG2 3.51Å; E726-V728 PolarHBondContact O-N 3.43Å; E726-V728 WeakPolarHBondContact OE2-CG2 3.26Å |
| 727 | E | 43.1 | Very low | 46.7 | Very low | 196 Ų | 196 | 91.8 Ų | 91.8 | 92% | 0.916 | 56% | 0.555 | S | S | * | * | | | trans | -90.3 | 62.6 | 171.8 | -75.6 | -172.7 | -164.6 | 0 | 0 | 110.7 | T729 | E727-T729 PolarHBondContact O-N 2.81Å; E727-T729 VanDerWaalsContact O-N 3.08Å |
| 728 | V | 43.6 | Very low | 46.6 | Very low | 62 Ų | 62 | 90.9 Ų | 90.9 | 38% | 0.376 | 55% | 0.551 | S | S | . | * | | | trans | -75.6 | 100.8 | -173.1 | -160 | 0 | 0 | 0 | 0 | 112.3 | E726 T730 | E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 HydrophobicContact CB-CG2 3.51Å; E726-V728 PolarHBondContact O-N 3.43Å; E726-V728 WeakPolarHBondContact OE2-CG2 3.26Å; V728-T730 HydrophobicContact CG1-CG2 3.65Å; V728-T730 PolarHBondContact O-N 2.96Å |
| 729 | T | 44.7 | Very low | 46.5 | Very low | 132 Ų | 132 | 90.6 Ų | 90.6 | 81% | 0.81 | 54% | 0.544 | S | S | * | . | | | trans | -82 | 75.7 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | E727 | E727-T729 PolarHBondContact O-N 2.81Å; E727-T729 VanDerWaalsContact O-N 3.08Å |
| 730 | T | 45.5 | Very low | 46.4 | Very low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | | | trans | -76.8 | 144.8 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | V728 | V728-T730 HydrophobicContact CG1-CG2 3.65Å; V728-T730 PolarHBondContact O-N 2.96Å |
| 731 | V | 53.3 | Low | 46.4 | Very low | 125 Ų | 125 | 92.4 Ų | 92.4 | 76% | 0.758 | 56% | 0.564 | S | S | * | * | | | trans | -118.4 | 98.9 | 165.9 | -180 | 0 | 0 | 0 | 0 | 107.5 | A733 | V731-A733 PolarHBondContact O-N 3.38Š|
| 732 | P | 52.6 | Low | 46.1 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -65 | 129.6 | -174 | 23.9 | -32.9 | 0 | 0 | 0 | 111.5 | | |
| 733 | A | 62.1 | Low | 46.2 | Very low | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 145 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V731 | V731-A733 PolarHBondContact O-N 3.38Š|
| 734 | P | 64.2 | Low | 46 | Very low | 104 Ų | 104 | 99.7 Ų | 99.7 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.6 | 179.1 | 26.2 | -34 | 0 | 0 | 0 | 110.2 | | |
| 735 | P | 62.3 | Low | 45.7 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 53% | 0.532 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 148.5 | -177.7 | 26 | -34 | 0 | 0 | 0 | 111.3 | P763 | P735-P763 HydrophobicContact CG-CG 4.21Š|
| 736 | P | 53.6 | Low | 45.5 | Very low | 58 Ų | 58 | 100.7 Ų | 100.7 | 38% | 0.377 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 147.7 | 169.7 | 28.6 | -34 | 0 | 0 | 0 | 110.3 | P708 V739 | P708-P736 HydrophobicContact CG-CG 4.21Å; P736-V739 HydrophobicContact CG-CG2 4.36Å |
| 737 | A | 44.6 | Very low | 45 | Very low | 75 Ų | 75 | 99.3 Ų | 99.3 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -69.3 | 152.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 738 | D | 38.1 | Very low | 44.7 | Very low | 146 Ų | 146 | 94.7 Ų | 94.7 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | | | trans | 61.7 | 75.4 | 175.6 | -54.4 | -31 | 0 | 0 | 0 | 115.5 | | |
| 739 | V | 35.4 | Very low | 44.5 | Very low | 88 Ų | 88 | 94.5 Ų | 94.5 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | | | trans | -132 | 134.7 | 165.4 | -171.2 | 0 | 0 | 0 | 0 | 110 | P736 V741 | P736-V739 HydrophobicContact CG-CG2 4.36Å; V739-V741 HydrophobicContact CG1-CG2 4.05Å |
| 740 | S | 38.1 | Very low | 44.4 | Very low | 117 Ų | 117 | 92 Ų | 92 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | | | trans | -128.1 | 117.3 | 177.7 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 741 | V | 37.9 | Very low | 44.4 | Very low | 107 Ų | 107 | 90.9 Ų | 90.9 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | | | trans | -117.4 | 146.1 | -176 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V739 | V739-V741 HydrophobicContact CG1-CG2 4.05Š|
| 742 | I | 35.6 | Very low | 43.9 | Very low | 144 Ų | 144 | 89.9 Ų | 89.9 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | | | trans | -129.3 | 130 | 171.4 | -56.9 | 173 | 0 | 0 | 0 | 106 | | |
| 743 | A | 38.4 | Very low | 43.6 | Very low | 73 Ų | 73 | 90.8 Ų | 90.8 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | | | trans | -143.4 | 123.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 744 | D | 40 | Very low | 42.6 | Very low | 151 Ų | 151 | 97.7 Ų | 97.7 | 81% | 0.807 | 58% | 0.583 | S | S | * | * | | | trans | -73.7 | 149.9 | 163 | -55.9 | -60.9 | 0 | 0 | 0 | 108.6 | | |
| 745 | S | 39.3 | Very low | 41.7 | Very low | 83 Ų | 83 | 95.9 Ų | 95.9 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | | | trans | -156.5 | 168.6 | -167.2 | -66.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 746 | I | 37.7 | Very low | 40.8 | Very low | 88 Ų | 88 | 98.4 Ų | 98.4 | 45% | 0.451 | 58% | 0.584 | S | S | . | * | | | trans | 79.7 | 130.1 | 168.3 | -48.3 | 148.3 | 0 | 0 | 0 | 112.5 | E748 P774 | I746-E748 HydrophobicContact CG2-CG 4.16Å; I746-P774 WeakPolarHBondContact CG2-O 3.25Å |
| 747 | P | 34.4 | Very low | 40.3 | Very low | 57 Ų | 57 | 99.5 Ų | 99.5 | 37% | 0.37 | 59% | 0.59 | S | S | . | * | | | | -120.7 | -169.2 | 51.1 | 7.2 | 19.5 | 0 | 0 | 0 | 116.1 | I719 | I719-P747 HydrophobicContact CD1-CG 4.08Å; I719-P747 HydrophobicContact CG2-CB 4.37Å; I719-P747 HydrophobicContact CG2-CG 4.45Å; I719-P747 WeakPolarHBondContact CG2-O 3.27Å |
| 748 | E | 38.2 | Very low | 40.8 | Very low | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | | | cis | -174.9 | 86.6 | -40 | -93.1 | 175.4 | -127.6 | 0 | 0 | 111.4 | E721 I746 T776 | E721-E748 PolarHBondContact OE1-N 3.04Å; E721-E748 VanDerWaalsContact OE1-N 3.15Å; I746-E748 HydrophobicContact CG2-CG 4.16Å; E748-T776 HydrophobicContact CB-CG2 4.05Å; E748-T776 HydrophobicContact CG-CG2 3.5Å; E748-T776 VanDerWaalsContact CG-CG2 3.5Å; E748-T776 WeakPolarHBondContact CG-OG1 3.24Å; E748-T776 VanDerWaalsContact OE2-CG2 3.27Å; E748-T776 WeakPolarHBondContact OE2-CG2 3.47Å |
| 749 | T | 38.5 | Very low | 41.4 | Very low | 57 Ų | 57 | 98.3 Ų | 98.3 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | | | trans | -148.2 | 150.5 | 154.9 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | E721 | E721-T749 HydrophobicContact CB-CG2 3.97Å; E721-T749 VanDerWaalsContact CD-OG1 3.27Å; E721-T749 PolarHBondContact OE1-N 2.79Å; E721-T749 VanDerWaalsContact OE2-CA 3.29Å; E721-T749 WeakPolarHBondContact OE2-CA 3.3Å; E721-T749 WeakPolarHBondContact OE2-CB 3.29Å; E721-T749 PolarHBondContact OE2-N 3.26Å; E721-T749 PolarHBondContact OE2-OG1 3.32Å |
| 750 | P | 42.5 | Very low | 42.8 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | | | trans | -86.3 | 118.9 | 175.6 | 32 | -33.7 | 0 | 0 | 0 | 113.2 | V778 | P750-V778 HydrophobicContact CB-CB 4.23Å; P750-V778 HydrophobicContact CB-CG1 3.74Å; P750-V778 HydrophobicContact CB-CG2 4.07Å |
| 751 | V | 46.1 | Very low | 44 | Very low | 51 Ų | 51 | 96 Ų | 96 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | | | trans | -85.9 | 153.9 | 160 | -168.3 | 0 | 0 | 0 | 0 | 108.6 | P723 E753 | P723-V751 HydrophobicContact CB-CB 4.41Å; P723-V751 HydrophobicContact CB-CG1 3.95Å; P723-V751 HydrophobicContact CB-CG2 4.22Å; V751-E753 HydrophobicContact CG1-CG 3.84Å |
| 752 | S | 42.3 | Very low | 45.2 | Very low | 104 Ų | 104 | 95 Ų | 95 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | | | trans | -123.8 | 95 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 753 | E | 45.6 | Very low | 46.1 | Very low | 89 Ų | 89 | 90.7 Ų | 90.7 | 42% | 0.416 | 55% | 0.547 | S | S | . | . | | | trans | -113.4 | 135.3 | -178.3 | -57.8 | -167.5 | 164.3 | 0 | 0 | 112.2 | V751 V755 | V751-E753 HydrophobicContact CG1-CG 3.84Å; E753-V755 VanDerWaalsContact C-N 3.28Å; E753-V755 HydrophobicContact CB-CG2 3.44Å; E753-V755 VanDerWaalsContact CB-CG2 3.44Å; E753-V755 HydrophobicContact CG-CG2 4.45Å; E753-V755 PolarHBondContact O-N 2.91Å; E753-V755 VanDerWaalsContact O-N 3.16Å; E753-V755 VanDerWaalsContact OE2-CG2 3.29Å; E753-V755 WeakPolarHBondContact OE2-CG2 3.45Å |
| 754 | E | 42.7 | Very low | 46.4 | Very low | 198 Ų | 198 | 90.8 Ų | 90.8 | 93% | 0.925 | 55% | 0.547 | S | S | * | . | | | trans | -86.2 | 60.2 | 170.7 | -74.9 | -171.1 | -173.9 | 0 | 0 | 111 | T756 | E754-T756 PolarHBondContact O-N 2.94Š|
| 755 | V | 43.8 | Very low | 46.3 | Very low | 66 Ų | 66 | 90.5 Ų | 90.5 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | | | trans | -73.7 | 99.3 | -173.4 | -158.8 | 0 | 0 | 0 | 0 | 112.3 | E753 T757 | E753-V755 VanDerWaalsContact C-N 3.28Å; E753-V755 HydrophobicContact CB-CG2 3.44Å; E753-V755 VanDerWaalsContact CB-CG2 3.44Å; E753-V755 HydrophobicContact CG-CG2 4.45Å; E753-V755 PolarHBondContact O-N 2.91Å; E753-V755 VanDerWaalsContact O-N 3.16Å; E753-V755 VanDerWaalsContact OE2-CG2 3.29Å; E753-V755 WeakPolarHBondContact OE2-CG2 3.45Å; V755-T757 VanDerWaalsContact C-N 3.32Å; V755-T757 HydrophobicContact CB-CG2 4.46Å; V755-T757 HydrophobicContact CG1-CG2 3.62Å; V755-T757 PolarHBondContact O-N 2.79Å |
| 756 | T | 43.6 | Very low | 46.1 | Very low | 136 Ų | 136 | 90.7 Ų | 90.7 | 83% | 0.834 | 54% | 0.543 | S | S | * | . | | | trans | -80.7 | 73.3 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | E754 | E754-T756 PolarHBondContact O-N 2.94Š|
| 757 | T | 44.5 | Very low | 46.2 | Very low | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | | | trans | -75.7 | 146.3 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | V755 | V755-T757 VanDerWaalsContact C-N 3.32Å; V755-T757 HydrophobicContact CB-CG2 4.46Å; V755-T757 HydrophobicContact CG1-CG2 3.62Å; V755-T757 PolarHBondContact O-N 2.79Å |
| 758 | V | 54 | Low | 46.3 | Very low | 123 Ų | 123 | 94.2 Ų | 94.2 | 75% | 0.745 | 57% | 0.573 | S | S | * | * | | | trans | -118.6 | 101.6 | 166.3 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | A760 | V758-A760 PolarHBondContact O-N 2.84Š|
| 759 | P | 51.6 | Low | 46.2 | Very low | 73 Ų | 73 | 96.3 Ų | 96.3 | 47% | 0.474 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 126.4 | -176 | -27 | 35.5 | 0 | 0 | 0 | 112.8 | | |
| 760 | A | 63 | Low | 46.2 | Very low | 50 Ų | 50 | 96.6 Ų | 96.6 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -66 | 140.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V758 | V758-A760 PolarHBondContact O-N 2.84Š|
| 761 | P | 64.2 | Low | 46.1 | Very low | 108 Ų | 108 | 99.5 Ų | 99.5 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132 | -180 | 26 | -33.9 | 0 | 0 | 0 | 110.1 | | |
| 762 | P | 62.9 | Low | 45.8 | Very low | 84 Ų | 84 | 100.2 Ų | 100.2 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 148.3 | -177.2 | 25.9 | -34.2 | 0 | 0 | 0 | 111.2 | P790 | P762-P790 HydrophobicContact CG-CG 4.23Š|
| 763 | P | 53.7 | Low | 45.6 | Very low | 55 Ų | 55 | 99.1 Ų | 99.1 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 146.6 | 169.2 | 28.3 | -34 | 0 | 0 | 0 | 110.1 | P735 V766 | P735-P763 HydrophobicContact CG-CG 4.21Å; P763-V766 HydrophobicContact CG-CG2 4.24Å |
| 764 | A | 44.8 | Very low | 45 | Very low | 74 Ų | 74 | 97.9 Ų | 97.9 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -67.2 | 151.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 765 | D | 38.5 | Very low | 44.9 | Very low | 145 Ų | 145 | 91.8 Ų | 91.8 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | | | trans | 63.4 | 75.7 | 178.2 | -53.7 | -32.5 | 0 | 0 | 0 | 115.3 | | |
| 766 | V | 36 | Very low | 44.6 | Very low | 88 Ų | 88 | 91.4 Ų | 91.4 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | | | trans | -130.5 | 135 | 165.5 | -173 | 0 | 0 | 0 | 0 | 110 | P763 V768 | P763-V766 HydrophobicContact CG-CG2 4.24Å; V766-V768 HydrophobicContact CG1-CG2 4.09Å |
| 767 | S | 38.7 | Very low | 44.5 | Very low | 116 Ų | 116 | 88.6 Ų | 88.6 | 81% | 0.811 | 55% | 0.55 | S | S | * | * | | | trans | -128.4 | 115.8 | 178 | 61.1 | 0 | 0 | 0 | 0 | 111 | | |
| 768 | V | 37.7 | Very low | 44.6 | Very low | 103 Ų | 103 | 86.9 Ų | 86.9 | 62% | 0.624 | 54% | 0.54 | S | S | * | . | | | trans | -112.6 | 146.3 | -176.9 | -175 | 0 | 0 | 0 | 0 | 109.8 | V766 | V766-V768 HydrophobicContact CG1-CG2 4.09Š|
| 769 | I | 36 | Very low | 44 | Very low | 144 Ų | 144 | 86 Ų | 86 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | | | trans | -129.8 | 130.3 | 170.4 | -57.1 | 173.5 | 0 | 0 | 0 | 105.9 | | |
| 770 | A | 38.2 | Very low | 43.7 | Very low | 63 Ų | 63 | 87.1 Ų | 87.1 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | | | trans | -144.6 | 129.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 771 | D | 40.9 | Very low | 42.8 | Very low | 140 Ų | 140 | 94 Ų | 94 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | | | trans | -83.9 | 157.6 | 168 | -60.5 | -67 | 0 | 0 | 0 | 109.4 | | |
| 772 | S | 39.8 | Very low | 41.8 | Very low | 66 Ų | 66 | 92.6 Ų | 92.6 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | | | trans | -133.3 | -170.2 | -167.9 | -55.6 | 0 | 0 | 0 | 0 | 115.1 | S799 | S772-S799 WeakPolarHBondContact CB-OG 3.45Å; S772-S799 PolarHBondContact N-OG 3.01Å; S772-S799 WeakPolarHBondContact OG-CB 3.47Å; S772-S799 PolarHBondContact OG-OG 3.29Å |
| 773 | I | 37.4 | Very low | 40.9 | Very low | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.415 | 56% | 0.563 | S | S | . | * | | | trans | 66.6 | 143.4 | -176.4 | 15.6 | -178.3 | 0 | 0 | 0 | 116.8 | E775 I800 P801 | I773-E775 HydrophobicContact CG2-CG 3.73Å; I773-E775 VanDerWaalsContact CG2-OE1 3.32Å; I773-E775 WeakPolarHBondContact CG2-OE1 3.23Å; I773-I800 VanDerWaalsContact CD1-O 3.3Å; I773-I800 WeakPolarHBondContact CD1-O 3.22Å; I773-I800 VanDerWaalsContact CG1-O 3.31Å; I773-I800 WeakPolarHBondContact CG1-O 3.19Å; I773-P801 HydrophobicContact CB-CB 4.25Å; I773-P801 HydrophobicContact CG1-CB 4.41Å; I773-P801 HydrophobicContact CG2-CB 3.4Å; I773-P801 VanDerWaalsContact CG2-CB 3.4Å |
| 774 | P | 33.7 | Very low | 40.4 | Very low | 62 Ų | 62 | 95.8 Ų | 95.8 | 40% | 0.403 | 57% | 0.568 | S | S | . | * | | | cis | -137.9 | 118.1 | 13 | 38.1 | -16.5 | 0 | 0 | 0 | 120.9 | I746 | I746-P774 WeakPolarHBondContact CG2-O 3.25Š|
| 775 | E | 39.1 | Very low | 40.8 | Very low | 70 Ų | 70 | 98.2 Ų | 98.2 | 33% | 0.327 | 58% | 0.575 | S | S | . | * | | | | 69.9 | 91.7 | 121.5 | -55 | 172.5 | 172.4 | 0 | 0 | 123.2 | I773 E802 T803 | I773-E775 HydrophobicContact CG2-CG 3.73Å; I773-E775 VanDerWaalsContact CG2-OE1 3.32Å; I773-E775 WeakPolarHBondContact CG2-OE1 3.23Å; E775-E802 WeakPolarHBondContact OE1-CA 3.43Å; E775-E802 PolarHBondContact OE1-N 3Å; E775-T803 HydrophobicContact CB-CG2 3.86Å; E775-T803 HydrophobicContact CG-CG2 3.76Å; E775-T803 VanDerWaalsContact CG-OG1 3.22Å; E775-T803 WeakPolarHBondContact CG-OG1 3.27Å; E775-T803 PolarHBondContact OE1-N 3.38Å; E775-T803 WeakPolarHBondContact OE2-CG2 3.48Å |
| 776 | T | 38.6 | Very low | 41.5 | Very low | 58 Ų | 58 | 94.4 Ų | 94.4 | 36% | 0.356 | 56% | 0.558 | S | S | . | * | | | trans | -136.5 | 149.6 | 137 | 29.6 | 0 | 0 | 0 | 0 | 113.4 | E748 | E748-T776 HydrophobicContact CB-CG2 4.05Å; E748-T776 HydrophobicContact CG-CG2 3.5Å; E748-T776 VanDerWaalsContact CG-CG2 3.5Å; E748-T776 WeakPolarHBondContact CG-OG1 3.24Å; E748-T776 VanDerWaalsContact OE2-CG2 3.27Å; E748-T776 WeakPolarHBondContact OE2-CG2 3.47Å |
| 777 | P | 41.7 | Very low | 42.8 | Very low | 78 Ų | 78 | 92.6 Ų | 92.6 | 51% | 0.506 | 55% | 0.552 | S | S | . | * | | | trans | -81 | 115.4 | 169.2 | 31.9 | -32.9 | 0 | 0 | 0 | 112 | V805 | P777-V805 HydrophobicContact CB-CB 4.23Å; P777-V805 HydrophobicContact CB-CG1 3.71Å; P777-V805 HydrophobicContact CB-CG2 4.08Å |
| 778 | V | 46.1 | Very low | 44.1 | Very low | 43 Ų | 43 | 92.1 Ų | 92.1 | 26% | 0.261 | 55% | 0.546 | S | S | . | . | | | trans | -93.9 | 143.3 | 164.4 | -173.4 | 0 | 0 | 0 | 0 | 108 | P750 E780 | P750-V778 HydrophobicContact CB-CB 4.23Å; P750-V778 HydrophobicContact CB-CG1 3.74Å; P750-V778 HydrophobicContact CB-CG2 4.07Å; V778-E780 HydrophobicContact CG1-CG 3.7Å |
| 779 | S | 42.4 | Very low | 45.3 | Very low | 105 Ų | 105 | 91 Ų | 91 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | | | trans | -111.1 | 93 | 178.4 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 780 | E | 45.2 | Very low | 46.2 | Very low | 97 Ų | 97 | 86.6 Ų | 86.6 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | | | trans | -110.7 | 134.3 | -179.9 | -56.2 | -168.3 | 166.3 | 0 | 0 | 112.4 | V778 V782 | V778-E780 HydrophobicContact CG1-CG 3.7Å; E780-V782 VanDerWaalsContact C-N 3.29Å; E780-V782 HydrophobicContact CB-CG2 3.45Å; E780-V782 VanDerWaalsContact CB-CG2 3.45Å; E780-V782 HydrophobicContact CG-CG2 4.45Å; E780-V782 PolarHBondContact O-N 2.89Å; E780-V782 VanDerWaalsContact O-N 3.16Å; E780-V782 VanDerWaalsContact OE2-CG2 3.26Å; E780-V782 WeakPolarHBondContact OE2-CG2 3.41Å |
| 781 | E | 43.1 | Very low | 46.4 | Very low | 194 Ų | 194 | 87.2 Ų | 87.2 | 91% | 0.907 | 53% | 0.527 | S | S | * | . | | | trans | -85.8 | 60.7 | 170.3 | -74.9 | -169.7 | -177.3 | 0 | 0 | 111.3 | T783 | E781-T783 PolarHBondContact O-N 3.02Š|
| 782 | V | 43.6 | Very low | 46.3 | Very low | 78 Ų | 78 | 87.6 Ų | 87.6 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | | | trans | -74 | 99.7 | -173.5 | -158.5 | 0 | 0 | 0 | 0 | 112.5 | E780 T784 | E780-V782 VanDerWaalsContact C-N 3.29Å; E780-V782 HydrophobicContact CB-CG2 3.45Å; E780-V782 VanDerWaalsContact CB-CG2 3.45Å; E780-V782 HydrophobicContact CG-CG2 4.45Å; E780-V782 PolarHBondContact O-N 2.89Å; E780-V782 VanDerWaalsContact O-N 3.16Å; E780-V782 VanDerWaalsContact OE2-CG2 3.26Å; E780-V782 WeakPolarHBondContact OE2-CG2 3.41Å; V782-T784 VanDerWaalsContact C-N 3.35Å; V782-T784 HydrophobicContact CB-CG2 4.48Å; V782-T784 HydrophobicContact CG1-CG2 3.63Å; V782-T784 PolarHBondContact O-N 3.37Å |
| 783 | T | 43.8 | Very low | 46.1 | Very low | 133 Ų | 133 | 88.6 Ų | 88.6 | 82% | 0.816 | 53% | 0.532 | S | S | * | . | | | trans | -81.7 | 74.8 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | E781 | E781-T783 PolarHBondContact O-N 3.02Š|
| 784 | T | 43.7 | Very low | 46.2 | Very low | 74 Ų | 74 | 90.4 Ų | 90.4 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | | | trans | -78.5 | 144 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | V782 | V782-T784 VanDerWaalsContact C-N 3.35Å; V782-T784 HydrophobicContact CB-CG2 4.48Å; V782-T784 HydrophobicContact CG1-CG2 3.63Å; V782-T784 PolarHBondContact O-N 3.37Å |
| 785 | V | 53.5 | Low | 46.3 | Very low | 124 Ų | 124 | 92.5 Ų | 92.5 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | | | trans | -117 | 97.7 | 165.7 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | A787 | V785-A787 PolarHBondContact O-N 3.08Š|
| 786 | P | 52.2 | Low | 46.1 | Very low | 65 Ų | 65 | 95.7 Ų | 95.7 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 127.9 | -173.5 | 24.3 | -33 | 0 | 0 | 0 | 111.7 | A814 | P786-A814 HydrophobicContact CG-CB 4.35Š|
| 787 | A | 63.3 | Low | 46 | Very low | 50 Ų | 50 | 96.2 Ų | 96.2 | 41% | 0.413 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -65 | 143.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V785 | V785-A787 PolarHBondContact O-N 3.08Š|
| 788 | P | 66 | Low | 45.7 | Very low | 106 Ų | 106 | 98.4 Ų | 98.4 | 69% | 0.688 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.7 | -179.3 | 25.9 | -34 | 0 | 0 | 0 | 110.3 | | |
| 789 | P | 63.1 | Low | 45.2 | Very low | 81 Ų | 81 | 99 Ų | 99 | 53% | 0.526 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 148.8 | -176.9 | 25.7 | -33.8 | 0 | 0 | 0 | 111.4 | P817 | P789-P817 HydrophobicContact CG-CG 4.16Š|
| 790 | P | 53.8 | Low | 44.9 | Very low | 50 Ų | 50 | 97.8 Ų | 97.8 | 33% | 0.325 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 147.7 | 171 | 27.9 | -34.1 | 0 | 0 | 0 | 110.4 | P762 V793 | P762-P790 HydrophobicContact CG-CG 4.23Å; P790-V793 HydrophobicContact CG-CG2 4.1Å |
| 791 | A | 44.1 | Very low | 44.5 | Very low | 77 Ų | 77 | 96.8 Ų | 96.8 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -66.5 | 150.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 792 | D | 38.8 | Very low | 44.3 | Very low | 148 Ų | 148 | 92.6 Ų | 92.6 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | | | trans | 63.4 | 72.4 | 178.7 | -54.3 | -31.2 | 0 | 0 | 0 | 115.2 | | |
| 793 | V | 35.7 | Very low | 44.2 | Very low | 86 Ų | 86 | 91.6 Ų | 91.6 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | | | trans | -126.1 | 131.4 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 110 | P790 V795 | P790-V793 HydrophobicContact CG-CG2 4.1Å; V793-V795 HydrophobicContact CG1-CG2 4.06Å |
| 794 | S | 38.1 | Very low | 44.1 | Very low | 119 Ų | 119 | 88.8 Ų | 88.8 | 83% | 0.832 | 55% | 0.55 | S | S | * | * | | | trans | -123.3 | 105.8 | 177.6 | 61.9 | 0 | 0 | 0 | 0 | 111 | | |
| 795 | V | 37.2 | Very low | 44.2 | Very low | 107 Ų | 107 | 87.2 Ų | 87.2 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | | | trans | -97.8 | 143.9 | 179.7 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | V793 | V793-V795 HydrophobicContact CG1-CG2 4.06Š|
| 796 | I | 34.5 | Very low | 43.6 | Very low | 137 Ų | 137 | 86.1 Ų | 86.1 | 70% | 0.703 | 54% | 0.539 | S | S | * | . | | | trans | -128 | 123.9 | 166.3 | -58.6 | 173.8 | 0 | 0 | 0 | 105.2 | | |
| 797 | A | 36.5 | Very low | 43.3 | Very low | 69 Ų | 69 | 87.7 Ų | 87.7 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | | | trans | -131.5 | 122.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 798 | D | 35.4 | Very low | 42.3 | Very low | 124 Ų | 124 | 94.3 Ų | 94.3 | 66% | 0.663 | 56% | 0.563 | S | S | * | * | | | trans | -107.9 | 101.3 | 172.9 | -71.7 | -56.7 | 0 | 0 | 0 | 107.4 | | |
| 799 | S | 35.7 | Very low | 41.2 | Very low | 55 Ų | 55 | 93 Ų | 93 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | | | trans | -167 | 153.5 | 171.1 | -129.5 | 0 | 0 | 0 | 0 | 114.4 | S772 | S772-S799 WeakPolarHBondContact CB-OG 3.45Å; S772-S799 PolarHBondContact N-OG 3.01Å; S772-S799 WeakPolarHBondContact OG-CB 3.47Å; S772-S799 PolarHBondContact OG-OG 3.29Å |
| 800 | I | 36.3 | Very low | 40.3 | Very low | 80 Ų | 80 | 95.4 Ų | 95.4 | 41% | 0.41 | 57% | 0.566 | S | S | . | * | | | trans | -137.9 | 135.7 | 175.7 | -60.7 | 170.3 | 0 | 0 | 0 | 108.6 | I773 E802 I827 | I773-I800 VanDerWaalsContact CD1-O 3.3Å; I773-I800 WeakPolarHBondContact CD1-O 3.22Å; I773-I800 VanDerWaalsContact CG1-O 3.31Å; I773-I800 WeakPolarHBondContact CG1-O 3.19Å; I800-E802 HydrophobicContact CG2-CG 4.44Å; I800-I827 WeakPolarHBondContact CD1-O 3.5Å |
| 801 | P | 36.7 | Very low | 39.8 | Very low | 75 Ų | 75 | 96.6 Ų | 96.6 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | | | trans | -126.6 | 162.1 | 151.6 | 36.4 | -24.9 | 0 | 0 | 0 | 113.6 | I773 | I773-P801 HydrophobicContact CB-CB 4.25Å; I773-P801 HydrophobicContact CG1-CB 4.41Å; I773-P801 HydrophobicContact CG2-CB 3.4Å; I773-P801 VanDerWaalsContact CG2-CB 3.4Å |
| 802 | E | 38.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | | | trans | -119.9 | 23.2 | -159.3 | -79.2 | -164.5 | 175.8 | 0 | 0 | 116.3 | E775 I800 T830 | E775-E802 WeakPolarHBondContact OE1-CA 3.43Å; E775-E802 PolarHBondContact OE1-N 3Å; I800-E802 HydrophobicContact CG2-CG 4.44Å; E802-T830 HydrophobicContact CB-CG2 3.7Å; E802-T830 HydrophobicContact CG-CG2 3.66Å |
| 803 | T | 42.2 | Very low | 40.8 | Very low | 58 Ų | 58 | 94.9 Ų | 94.9 | 36% | 0.356 | 56% | 0.56 | S | S | . | * | | | trans | -116.6 | 138.6 | 176.2 | 48.2 | 0 | 0 | 0 | 0 | 116.9 | E775 V805 | E775-T803 HydrophobicContact CB-CG2 3.86Å; E775-T803 HydrophobicContact CG-CG2 3.76Å; E775-T803 VanDerWaalsContact CG-OG1 3.22Å; E775-T803 WeakPolarHBondContact CG-OG1 3.27Å; E775-T803 PolarHBondContact OE1-N 3.38Å; E775-T803 WeakPolarHBondContact OE2-CG2 3.48Å; T803-V805 PolarHBondContact O-N 2.74Å |
| 804 | P | 40.4 | Very low | 42.2 | Very low | 74 Ų | 74 | 93 Ų | 93 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | | | trans | -76.6 | 117.2 | 169.4 | 31.8 | -34 | 0 | 0 | 0 | 112.2 | V832 | P804-V832 HydrophobicContact CB-CB 4.23Å; P804-V832 HydrophobicContact CB-CG1 3.76Å; P804-V832 HydrophobicContact CB-CG2 4.18Å |
| 805 | V | 46.5 | Very low | 43.5 | Very low | 40 Ų | 40 | 92.3 Ų | 92.3 | 24% | 0.242 | 55% | 0.547 | C | S | . | . | | | trans | -93.8 | 141.9 | 164.1 | -170.4 | 0 | 0 | 0 | 0 | 108 | P777 T803 E807 | P777-V805 HydrophobicContact CB-CB 4.23Å; P777-V805 HydrophobicContact CB-CG1 3.71Å; P777-V805 HydrophobicContact CB-CG2 4.08Å; T803-V805 PolarHBondContact O-N 2.74Å; V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CG 3.6Å |
| 806 | S | 41.7 | Very low | 44.8 | Very low | 102 Ų | 102 | 91 Ų | 91 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | | | trans | -109.2 | 89.8 | 177.5 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 807 | E | 45.3 | Very low | 45.7 | Very low | 97 Ų | 97 | 86.8 Ų | 86.8 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | | | trans | -108.3 | 130.4 | -179.4 | -56.4 | -171.6 | 178.9 | 0 | 0 | 112 | V805 V809 | V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CG 3.6Å; E807-V809 VanDerWaalsContact C-N 3.25Å; E807-V809 HydrophobicContact CB-CG2 3.5Å; E807-V809 HydrophobicContact CG-CG2 4.48Å; E807-V809 PolarHBondContact O-N 2.87Å; E807-V809 VanDerWaalsContact O-N 3.09Å; E807-V809 VanDerWaalsContact OE2-CG2 3.23Å; E807-V809 WeakPolarHBondContact OE2-CG2 3.42Å |
| 808 | E | 42.3 | Very low | 46.1 | Very low | 190 Ų | 190 | 86.9 Ų | 86.9 | 89% | 0.888 | 52% | 0.523 | S | S | * | . | | | trans | -84.1 | 61.6 | 170 | -77.3 | -167.7 | -164.2 | 0 | 0 | 111.3 | T810 | E808-T810 PolarHBondContact O-N 3Š|
| 809 | V | 43.5 | Very low | 46.3 | Very low | 77 Ų | 77 | 88 Ų | 88 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | | | trans | -70.6 | 97.1 | -174.9 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | E807 T811 | E807-V809 VanDerWaalsContact C-N 3.25Å; E807-V809 HydrophobicContact CB-CG2 3.5Å; E807-V809 HydrophobicContact CG-CG2 4.48Å; E807-V809 PolarHBondContact O-N 2.87Å; E807-V809 VanDerWaalsContact O-N 3.09Å; E807-V809 VanDerWaalsContact OE2-CG2 3.23Å; E807-V809 WeakPolarHBondContact OE2-CG2 3.42Å; V809-T811 VanDerWaalsContact C-N 3.33Å; V809-T811 HydrophobicContact CG1-CG2 3.66Å; V809-T811 PolarHBondContact O-N 3.21Å |
| 810 | T | 43.4 | Very low | 46.2 | Very low | 132 Ų | 132 | 89.5 Ų | 89.5 | 81% | 0.81 | 54% | 0.535 | S | S | * | . | | | trans | -83.2 | 70.9 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | E808 | E808-T810 PolarHBondContact O-N 3Š|
| 811 | T | 43.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 91.3 Ų | 91.3 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | | | trans | -79.7 | 145.1 | 175.7 | 39.4 | 0 | 0 | 0 | 0 | 113.1 | V809 | V809-T811 VanDerWaalsContact C-N 3.33Å; V809-T811 HydrophobicContact CG1-CG2 3.66Å; V809-T811 PolarHBondContact O-N 3.21Å |
| 812 | V | 53.1 | Low | 46.3 | Very low | 121 Ų | 121 | 92.8 Ų | 92.8 | 73% | 0.733 | 56% | 0.562 | S | S | * | * | | | trans | -114.7 | 102.3 | 167.7 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | A814 | V812-A814 PolarHBondContact O-N 2.8Š|
| 813 | P | 51.8 | Low | 46.1 | Very low | 69 Ų | 69 | 94.6 Ų | 94.6 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 125.7 | -175.6 | -25.8 | 35.1 | 0 | 0 | 0 | 113 | A841 | P813-A841 HydrophobicContact CB-CB 4.28Š|
| 814 | A | 63.5 | Low | 45.8 | Very low | 47 Ų | 47 | 94.9 Ų | 94.9 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 140 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P786 V812 | P786-A814 HydrophobicContact CG-CB 4.35Å; V812-A814 PolarHBondContact O-N 2.8Å |
| 815 | P | 65.9 | Low | 45.6 | Very low | 104 Ų | 104 | 97.8 Ų | 97.8 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131 | -178.5 | 26.2 | -34 | 0 | 0 | 0 | 110.6 | | |
| 816 | P | 63.9 | Low | 45.2 | Very low | 78 Ų | 78 | 99.3 Ų | 99.3 | 51% | 0.506 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 150.4 | -175.6 | 25.7 | -33.3 | 0 | 0 | 0 | 112.2 | P844 | P816-P844 HydrophobicContact CG-CG 4.11Š|
| 817 | P | 54.6 | Low | 45 | Very low | 49 Ų | 49 | 98.3 Ų | 98.3 | 32% | 0.318 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -64 | 150.8 | 173.6 | 28.1 | -34 | 0 | 0 | 0 | 111.4 | P789 D819 V820 | P789-P817 HydrophobicContact CG-CG 4.16Å; P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 PolarHBondContact O-N 3.36Å; P817-D819 VanDerWaalsContact O-N 3.12Å; P817-V820 HydrophobicContact CG-CG2 3.98Å |
| 818 | A | 44.8 | Very low | 44.7 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -75.7 | -0.8 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 819 | D | 38.3 | Very low | 44.6 | Very low | 147 Ų | 147 | 93.8 Ų | 93.8 | 79% | 0.786 | 58% | 0.578 | S | S | * | * | | | trans | -144.8 | 93.8 | -179.5 | -76.2 | -76.9 | 0 | 0 | 0 | 109.3 | P817 | P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 PolarHBondContact O-N 3.36Å; P817-D819 VanDerWaalsContact O-N 3.12Å |
| 820 | V | 35.3 | Very low | 44.6 | Very low | 86 Ų | 86 | 91.9 Ų | 91.9 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | | | trans | -139.2 | 126.8 | 173.5 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | P817 V822 | P817-V820 HydrophobicContact CG-CG2 3.98Å; V820-V822 HydrophobicContact CG1-CG2 3.94Å |
| 821 | S | 36.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 89.1 Ų | 89.1 | 83% | 0.825 | 55% | 0.55 | S | S | * | * | | | trans | -118 | 100.4 | 175.4 | 62 | 0 | 0 | 0 | 0 | 110.6 | | |
| 822 | V | 37 | Very low | 44.6 | Very low | 107 Ų | 107 | 87.4 Ų | 87.4 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | | | trans | -91 | 143.1 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | V820 | V820-V822 HydrophobicContact CG1-CG2 3.94Š|
| 823 | I | 34 | Very low | 44.1 | Very low | 144 Ų | 144 | 86.3 Ų | 86.3 | 74% | 0.738 | 54% | 0.538 | S | S | * | . | | | trans | -128.1 | 119.4 | 166.2 | -58.9 | 174.1 | 0 | 0 | 0 | 105.3 | | |
| 824 | A | 36.9 | Very low | 43.8 | Very low | 64 Ų | 64 | 88.6 Ų | 88.6 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | | | trans | -126.2 | 116.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 825 | D | 36.2 | Very low | 42.7 | Very low | 135 Ų | 135 | 95.5 Ų | 95.5 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | | | trans | -95.1 | 96.9 | 169.5 | -73.4 | -49.3 | 0 | 0 | 0 | 107 | | |
| 826 | S | 38.2 | Very low | 41.8 | Very low | 71 Ų | 71 | 93.2 Ų | 93.2 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | | | trans | -151.4 | 132.7 | -178.3 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 827 | I | 36.5 | Very low | 40.8 | Very low | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.415 | 57% | 0.572 | S | S | . | * | | | trans | -137.3 | 108.2 | 175.3 | -57.3 | 170 | 0 | 0 | 0 | 108 | I800 I854 | I800-I827 WeakPolarHBondContact CD1-O 3.5Å; I827-I854 WeakPolarHBondContact CD1-O 3.32Å |
| 828 | P | 40.6 | Very low | 40.2 | Very low | 79 Ų | 79 | 97.9 Ų | 97.9 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | | | trans | -90.6 | 137 | 166.7 | 33.2 | -29.5 | 0 | 0 | 0 | 111 | | |
| 829 | E | 39.8 | Very low | 40.7 | Very low | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | | | trans | -101.5 | 33 | -175.3 | -71.8 | -169.3 | -178.9 | 0 | 0 | 114.3 | T857 | E829-T857 HydrophobicContact CB-CG2 3.91Å; E829-T857 HydrophobicContact CG-CG2 4.11Å |
| 830 | T | 42.3 | Very low | 41.3 | Very low | 36 Ų | 36 | 96.3 Ų | 96.3 | 22% | 0.221 | 57% | 0.572 | C | S | . | * | | | trans | -133.4 | 134.6 | 178 | 43.8 | 0 | 0 | 0 | 0 | 115.6 | E802 | E802-T830 HydrophobicContact CB-CG2 3.7Å; E802-T830 HydrophobicContact CG-CG2 3.66Å |
| 831 | P | 40.6 | Very low | 42.7 | Very low | 74 Ų | 74 | 94.3 Ų | 94.3 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | | | trans | -74.9 | 122.7 | 175 | 30.7 | -34.1 | 0 | 0 | 0 | 112.1 | V859 | P831-V859 HydrophobicContact CB-CB 4.15Å; P831-V859 HydrophobicContact CB-CG1 3.66Å; P831-V859 HydrophobicContact CB-CG2 4.02Å |
| 832 | V | 46.5 | Very low | 44.1 | Very low | 39 Ų | 39 | 93.3 Ų | 93.3 | 24% | 0.236 | 56% | 0.556 | C | S | . | * | | | trans | -102.5 | 157.2 | 170.9 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | P804 E834 | P804-V832 HydrophobicContact CB-CB 4.23Å; P804-V832 HydrophobicContact CB-CG1 3.76Å; P804-V832 HydrophobicContact CB-CG2 4.18Å; V832-E834 HydrophobicContact CG1-CG 3.63Å |
| 833 | S | 42.1 | Very low | 45.3 | Very low | 99 Ų | 99 | 92.1 Ų | 92.1 | 69% | 0.692 | 55% | 0.55 | S | S | * | . | | | trans | -127.7 | 74.3 | -174.6 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 834 | E | 45.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 87.3 Ų | 87.3 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | | | trans | -97.8 | 125.6 | -179.2 | -50.1 | -167.3 | 173 | 0 | 0 | 112.5 | V832 A836 | V832-E834 HydrophobicContact CG1-CG 3.63Å; E834-A836 HydrophobicContact CB-CB 4.23Å; E834-A836 PolarHBondContact O-N 2.79Å; E834-A836 VanDerWaalsContact O-N 3.09Å |
| 835 | E | 41.6 | Very low | 46.5 | Very low | 192 Ų | 192 | 88 Ų | 88 | 90% | 0.897 | 53% | 0.533 | S | S | * | . | | | trans | -83.4 | 53.6 | 166.3 | -74.8 | -169.6 | -155 | 0 | 0 | 111.1 | T837 | E835-T837 PolarHBondContact O-N 3.31Š|
| 836 | A | 46.3 | Very low | 46.6 | Very low | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | | | trans | -73 | 96.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E834 T838 | E834-A836 HydrophobicContact CB-CB 4.23Å; E834-A836 PolarHBondContact O-N 2.79Å; E834-A836 VanDerWaalsContact O-N 3.09Å; A836-T838 VanDerWaalsContact C-N 3.31Å; A836-T838 PolarHBondContact O-N 2.83Å |
| 837 | T | 43.2 | Very low | 46.4 | Very low | 137 Ų | 137 | 89.6 Ų | 89.6 | 84% | 0.84 | 54% | 0.539 | S | S | * | . | | | trans | -79.1 | 72.3 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | E835 | E835-T837 PolarHBondContact O-N 3.31Š|
| 838 | T | 42.8 | Very low | 46.4 | Very low | 87 Ų | 87 | 91.5 Ų | 91.5 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | | | trans | -80.3 | 143.5 | 178.8 | 57 | 0 | 0 | 0 | 0 | 113.1 | A836 | A836-T838 VanDerWaalsContact C-N 3.31Å; A836-T838 PolarHBondContact O-N 2.83Å |
| 839 | V | 53.7 | Low | 46.2 | Very low | 119 Ų | 119 | 93.3 Ų | 93.3 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | | | trans | -115.6 | 102.8 | 171.2 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | A841 | V839-A841 PolarHBondContact O-N 2.92Š|
| 840 | P | 51 | Low | 45.9 | Very low | 68 Ų | 68 | 94.9 Ų | 94.9 | 44% | 0.442 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 125.3 | -175.2 | -25.7 | 35 | 0 | 0 | 0 | 112.9 | A868 | P840-A868 HydrophobicContact CB-CB 4.29Š|
| 841 | A | 64.8 | Low | 45.6 | Very low | 44 Ų | 44 | 96.4 Ų | 96.4 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 138.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | P813 V839 | P813-A841 HydrophobicContact CB-CB 4.28Å; V839-A841 PolarHBondContact O-N 2.92Å |
| 842 | P | 67.4 | Low | 45.4 | Very low | 97 Ų | 97 | 99.9 Ų | 99.9 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132.2 | -178.6 | 26.1 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 843 | P | 61.9 | Low | 45 | Very low | 81 Ų | 81 | 101.4 Ų | 101.4 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 146.1 | -177 | 25.8 | -34 | 0 | 0 | 0 | 111.1 | P871 | P843-P871 HydrophobicContact CG-CG 4.13Š|
| 844 | P | 52.3 | Low | 44.8 | Very low | 44 Ų | 44 | 100.7 Ų | 100.7 | 29% | 0.286 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 149 | 169.7 | 28 | -33.7 | 0 | 0 | 0 | 110.2 | P816 V847 | P816-P844 HydrophobicContact CG-CG 4.11Å; P844-V847 HydrophobicContact CG-CG2 3.97Å |
| 845 | A | 44.6 | Very low | 44.6 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -64.7 | 148.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 846 | D | 37.1 | Very low | 44.6 | Very low | 157 Ų | 157 | 96 Ų | 96 | 84% | 0.84 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 67.1 | 56.1 | 177.8 | -56.4 | -30.1 | 0 | 0 | 0 | 116.4 | | |
| 847 | V | 34.1 | Very low | 44.4 | Very low | 83 Ų | 83 | 95 Ų | 95 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | | | trans | -116.3 | 131.3 | 165.7 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | P844 V849 | P844-V847 HydrophobicContact CG-CG2 3.97Å; V847-V849 HydrophobicContact CG1-CG2 4.07Å |
| 848 | S | 36.2 | Very low | 44.2 | Very low | 121 Ų | 121 | 92.1 Ų | 92.1 | 85% | 0.846 | 57% | 0.567 | S | S | * | * | | | trans | -122.6 | 105.2 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 849 | V | 36.1 | Very low | 44.4 | Very low | 117 Ų | 117 | 89.6 Ų | 89.6 | 71% | 0.709 | 55% | 0.551 | S | S | * | * | | | trans | -95.5 | 144.1 | 179.5 | -174.9 | 0 | 0 | 0 | 0 | 110 | V847 | V847-V849 HydrophobicContact CG1-CG2 4.07Š|
| 850 | I | 33.6 | Very low | 43.9 | Very low | 148 Ų | 148 | 88.6 Ų | 88.6 | 76% | 0.759 | 55% | 0.549 | S | S | * | . | | | trans | -131.2 | 120.2 | 167.7 | -57.9 | 174.5 | 0 | 0 | 0 | 105.9 | | |
| 851 | A | 36.6 | Very low | 43.6 | Very low | 67 Ų | 67 | 89.8 Ų | 89.8 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | | | trans | -127.8 | 111.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 852 | D | 36.6 | Very low | 42.6 | Very low | 147 Ų | 147 | 96.1 Ų | 96.1 | 79% | 0.786 | 57% | 0.571 | S | S | * | * | | | trans | -87.5 | 100.8 | 168 | -74.8 | -39.9 | 0 | 0 | 0 | 107 | | |
| 853 | S | 38.1 | Very low | 41.5 | Very low | 71 Ų | 71 | 94.7 Ų | 94.7 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | | | trans | -147.5 | 128.7 | -179.4 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 854 | I | 38.1 | Very low | 40.6 | Very low | 84 Ų | 84 | 96.6 Ų | 96.6 | 43% | 0.431 | 57% | 0.57 | S | S | . | * | | | trans | -130.3 | 107.8 | 179.1 | -55.4 | 173.7 | 0 | 0 | 0 | 107.5 | I827 | I827-I854 WeakPolarHBondContact CD1-O 3.32Š|
| 855 | P | 40.1 | Very low | 40.2 | Very low | 74 Ų | 74 | 97.6 Ų | 97.6 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | | | trans | -81.6 | 133.7 | 169.9 | 31.4 | -31 | 0 | 0 | 0 | 110.7 | | |
| 856 | E | 41 | Very low | 40.7 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | | | trans | -98.8 | 14.9 | 179.2 | -79.6 | -165.7 | -163.5 | 0 | 0 | 114 | | |
| 857 | T | 42.1 | Very low | 41.4 | Very low | 35 Ų | 35 | 94.9 Ų | 94.9 | 22% | 0.215 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -129.6 | 127.5 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | E829 | E829-T857 HydrophobicContact CB-CG2 3.91Å; E829-T857 HydrophobicContact CG-CG2 4.11Å |
| 858 | P | 40.4 | Very low | 43 | Very low | 78 Ų | 78 | 93.1 Ų | 93.1 | 51% | 0.506 | 55% | 0.552 | S | S | . | * | | | trans | -76 | 125.7 | 176.7 | 30.6 | -34 | 0 | 0 | 0 | 111.9 | V886 | P858-V886 HydrophobicContact CB-CB 4.19Å; P858-V886 HydrophobicContact CB-CG1 3.81Å; P858-V886 HydrophobicContact CB-CG2 4.08Å |
| 859 | V | 46.4 | Very low | 44.4 | Very low | 34 Ų | 34 | 91.7 Ų | 91.7 | 21% | 0.206 | 54% | 0.54 | C | S | . | . | | | trans | -103.6 | 153.1 | 172.7 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | P831 E861 V886 | P831-V859 HydrophobicContact CB-CB 4.15Å; P831-V859 HydrophobicContact CB-CG1 3.66Å; P831-V859 HydrophobicContact CB-CG2 4.02Å; V859-E861 HydrophobicContact CB-CG 4.4Å; V859-E861 HydrophobicContact CG1-CG 3.5Å; V859-V886 VanDerWaalsContact O-CG1 3.29Å; V859-V886 WeakPolarHBondContact O-CG1 3.24Å |
| 860 | S | 42.4 | Very low | 45.8 | Very low | 97 Ų | 97 | 89.8 Ų | 89.8 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | | | trans | -121.3 | 92.3 | 175 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 861 | E | 46.1 | Very low | 46.7 | Very low | 93 Ų | 93 | 85.1 Ų | 85.1 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | | | trans | -109.9 | 131.5 | -177.5 | -52.5 | -171.9 | 173.6 | 0 | 0 | 111.7 | V859 V863 | V859-E861 HydrophobicContact CB-CG 4.4Å; V859-E861 HydrophobicContact CG1-CG 3.5Å; E861-V863 VanDerWaalsContact C-N 3.32Å; E861-V863 HydrophobicContact CB-CG2 3.53Å; E861-V863 PolarHBondContact O-N 2.91Å; E861-V863 VanDerWaalsContact OE2-CG2 3.27Å; E861-V863 WeakPolarHBondContact OE2-CG2 3.26Å |
| 862 | E | 42.8 | Very low | 47.1 | Very low | 178 Ų | 178 | 85.4 Ų | 85.4 | 83% | 0.832 | 51% | 0.511 | S | S | * | . | | | trans | -87.2 | 63.6 | 170.2 | -79.6 | -169.1 | -148.6 | 0 | 0 | 111.2 | T864 | E862-T864 PolarHBondContact O-N 2.96Š|
| 863 | V | 44.3 | Very low | 47.2 | Very low | 67 Ų | 67 | 86.1 Ų | 86.1 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | | | trans | -73.2 | 97.9 | -173.5 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | E861 T865 | E861-V863 VanDerWaalsContact C-N 3.32Å; E861-V863 HydrophobicContact CB-CG2 3.53Å; E861-V863 PolarHBondContact O-N 2.91Å; E861-V863 VanDerWaalsContact OE2-CG2 3.27Å; E861-V863 WeakPolarHBondContact OE2-CG2 3.26Å; V863-T865 HydrophobicContact CG1-CG2 3.68Å; V863-T865 PolarHBondContact O-N 3.41Å; V863-T865 VanDerWaalsContact O-N 3.08Å |
| 864 | T | 43.8 | Very low | 47 | Very low | 120 Ų | 120 | 86.7 Ų | 86.7 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | | | trans | -84.4 | 73.2 | 175 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | E862 | E862-T864 PolarHBondContact O-N 2.96Š|
| 865 | T | 43.7 | Very low | 46.8 | Very low | 65 Ų | 65 | 88.4 Ų | 88.4 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | | | trans | -80.4 | 142.9 | 176.1 | 39.9 | 0 | 0 | 0 | 0 | 113.5 | V863 | V863-T865 HydrophobicContact CG1-CG2 3.68Å; V863-T865 PolarHBondContact O-N 3.41Å; V863-T865 VanDerWaalsContact O-N 3.08Å |
| 866 | V | 56 | Low | 46.6 | Very low | 112 Ų | 112 | 90.4 Ų | 90.4 | 68% | 0.679 | 55% | 0.546 | S | S | * | . | | | trans | -116.5 | 99.2 | 168.4 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | A868 | V866-A868 PolarHBondContact O-N 2.94Š|
| 867 | P | 51.8 | Low | 46.3 | Very low | 66 Ų | 66 | 91.1 Ų | 91.1 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 127.4 | -175.2 | -25.9 | 35.2 | 0 | 0 | 0 | 113 | A895 | P867-A895 HydrophobicContact CB-CB 4.5Å; P867-A895 WeakPolarHBondContact O-CB 3.33Å |
| 868 | A | 66 | Low | 46 | Very low | 45 Ų | 45 | 92.6 Ų | 92.6 | 37% | 0.372 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 137.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P840 V866 | P840-A868 HydrophobicContact CB-CB 4.29Å; V866-A868 PolarHBondContact O-N 2.94Å |
| 869 | P | 67.2 | Low | 45.9 | Very low | 92 Ų | 92 | 96.2 Ų | 96.2 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.9 | -177 | 25.9 | -34 | 0 | 0 | 0 | 110.7 | | |
| 870 | P | 64 | Low | 45.5 | Very low | 77 Ų | 77 | 98.8 Ų | 98.8 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 147.9 | -174.9 | 26.5 | -34.9 | 0 | 0 | 0 | 112.1 | P898 | P870-P898 HydrophobicContact CG-CG 4.38Š|
| 871 | P | 53.8 | Low | 45.3 | Very low | 49 Ų | 49 | 98.8 Ų | 98.8 | 32% | 0.318 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 145.1 | 169.9 | 26.6 | -31.8 | 0 | 0 | 0 | 110.7 | P843 D873 V874 | P843-P871 HydrophobicContact CG-CG 4.13Å; P871-D873 VanDerWaalsContact C-N 3.26Å; P871-D873 PolarHBondContact O-N 3.43Å; P871-V874 HydrophobicContact CG-CG2 3.94Å |
| 872 | A | 44.4 | Very low | 45 | Very low | 73 Ų | 73 | 97.7 Ų | 97.7 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 6.8 | -154.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 873 | D | 38.5 | Very low | 45 | Very low | 163 Ų | 163 | 96.4 Ų | 96.4 | 87% | 0.872 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 50.4 | -173.1 | -76.3 | -73.3 | 0 | 0 | 0 | 111.9 | P871 | P871-D873 VanDerWaalsContact C-N 3.26Å; P871-D873 PolarHBondContact O-N 3.43Å |
| 874 | V | 33.7 | Very low | 44.8 | Very low | 83 Ų | 83 | 95 Ų | 95 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | | | trans | -118.6 | 129.6 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | P871 V876 | P871-V874 HydrophobicContact CG-CG2 3.94Å; V874-V876 HydrophobicContact CG1-CG2 4Å |
| 875 | S | 35.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 93 Ų | 93 | 83% | 0.832 | 57% | 0.57 | S | S | * | * | | | trans | -117.8 | 109.9 | 175.1 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 876 | V | 35 | Very low | 44.7 | Very low | 117 Ų | 117 | 91.7 Ų | 91.7 | 71% | 0.709 | 56% | 0.561 | S | S | * | * | | | trans | -100.2 | 142.9 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | V874 | V874-V876 HydrophobicContact CG1-CG2 4Š|
| 877 | I | 33.8 | Very low | 44.2 | Very low | 151 Ų | 151 | 90.4 Ų | 90.4 | 77% | 0.774 | 56% | 0.558 | S | S | * | * | | | trans | -131.8 | 125.4 | 169.8 | -58.5 | 173.3 | 0 | 0 | 0 | 106 | | |
| 878 | A | 36.5 | Very low | 43.9 | Very low | 66 Ų | 66 | 91.7 Ų | 91.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | | | trans | -132.4 | 110.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S880 | A878-S880 PolarHBondContact O-N 2.89Š|
| 879 | D | 38.2 | Very low | 42.9 | Very low | 153 Ų | 153 | 96.3 Ų | 96.3 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | | | trans | -92.8 | 74.4 | 176.5 | -73.7 | -34.4 | 0 | 0 | 0 | 109.6 | | |
| 880 | S | 37.5 | Very low | 41.9 | Very low | 89 Ų | 89 | 94.6 Ų | 94.6 | 62% | 0.622 | 56% | 0.56 | S | S | * | * | | | trans | -113.3 | 125 | -179.1 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | A878 | A878-S880 PolarHBondContact O-N 2.89Š|
| 881 | I | 39.4 | Very low | 41 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | | | trans | -126.4 | 107.1 | 173.9 | -55.6 | 174.1 | 0 | 0 | 0 | 108.2 | | |
| 882 | P | 39.2 | Very low | 40.6 | Very low | 70 Ų | 70 | 95.3 Ų | 95.3 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | | | trans | -77.6 | 134.9 | 167.8 | 30.9 | -31.4 | 0 | 0 | 0 | 110.4 | | |
| 883 | E | 42.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 96.5 Ų | 96.5 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -93.2 | 7.4 | 177.4 | -73.6 | -163.9 | 172.3 | 0 | 0 | 113.6 | | |
| 884 | T | 41 | Very low | 42.1 | Very low | 38 Ų | 38 | 91.6 Ų | 91.6 | 23% | 0.233 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -132.1 | 132.3 | -177.3 | 51 | 0 | 0 | 0 | 0 | 112.7 | | |
| 885 | P | 40 | Very low | 43.6 | Very low | 79 Ų | 79 | 89.5 Ų | 89.5 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | | | trans | -75.9 | 127.4 | 178.1 | 30.7 | -33.9 | 0 | 0 | 0 | 111.8 | V913 | P885-V913 HydrophobicContact CB-CB 4.47Å; P885-V913 HydrophobicContact CB-CG1 4.14Å; P885-V913 HydrophobicContact CB-CG2 4.28Å |
| 886 | V | 45.8 | Very low | 45.2 | Very low | 36 Ų | 36 | 87.9 Ų | 87.9 | 22% | 0.218 | 52% | 0.517 | C | S | . | . | | | trans | -105.3 | 154 | 171.4 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | P858 V859 E888 V913 | P858-V886 HydrophobicContact CB-CB 4.19Å; P858-V886 HydrophobicContact CB-CG1 3.81Å; P858-V886 HydrophobicContact CB-CG2 4.08Å; V859-V886 VanDerWaalsContact O-CG1 3.29Å; V859-V886 WeakPolarHBondContact O-CG1 3.24Å; V886-E888 HydrophobicContact CB-CG 4.41Å; V886-E888 HydrophobicContact CG1-CG 3.67Å; V886-V913 WeakPolarHBondContact O-CG1 3.31Å |
| 887 | S | 44.1 | Very low | 46.6 | Very low | 86 Ų | 86 | 85.9 Ų | 85.9 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | | | trans | -120.6 | 94.2 | 176.2 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 888 | E | 47.1 | Very low | 47.5 | Very low | 92 Ų | 92 | 80.7 Ų | 80.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | | | trans | -110.7 | 130.1 | -176.4 | -56.4 | -177 | -175.2 | 0 | 0 | 111.2 | V886 V890 | V886-E888 HydrophobicContact CB-CG 4.41Å; V886-E888 HydrophobicContact CG1-CG 3.67Å; E888-V890 VanDerWaalsContact C-N 3.34Å; E888-V890 HydrophobicContact CB-CG2 3.55Å; E888-V890 PolarHBondContact O-N 3.29Å; E888-V890 WeakPolarHBondContact OE2-CG2 3.39Å |
| 889 | E | 44.5 | Very low | 47.9 | Very low | 143 Ų | 143 | 80.9 Ų | 80.9 | 67% | 0.668 | 48% | 0.484 | S | S | * | . | | | trans | -88.6 | 67.8 | 171.4 | -79.7 | -169.5 | -139.4 | 0 | 0 | 110.8 | T891 | E889-T891 PolarHBondContact O-N 3.15Š|
| 890 | V | 45 | Very low | 47.9 | Very low | 56 Ų | 56 | 81.3 Ų | 81.3 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | | | trans | -74.1 | 94 | -171.8 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | E888 T892 | E888-V890 VanDerWaalsContact C-N 3.34Å; E888-V890 HydrophobicContact CB-CG2 3.55Å; E888-V890 PolarHBondContact O-N 3.29Å; E888-V890 WeakPolarHBondContact OE2-CG2 3.39Å; V890-T892 HydrophobicContact CG1-CG2 3.77Å; V890-T892 PolarHBondContact O-N 3.05Å; V890-T892 VanDerWaalsContact O-N 3.08Å |
| 891 | T | 45.8 | Very low | 47.7 | Very low | 89 Ų | 89 | 80.4 Ų | 80.4 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | | | trans | -83.6 | 75.4 | 176 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | E889 | E889-T891 PolarHBondContact O-N 3.15Š|
| 892 | T | 44.9 | Very low | 47.6 | Very low | 51 Ų | 51 | 81.4 Ų | 81.4 | 31% | 0.313 | 49% | 0.492 | S | S | . | . | | | trans | -80.5 | 140.2 | 176.4 | 41.1 | 0 | 0 | 0 | 0 | 113.6 | V890 | V890-T892 HydrophobicContact CG1-CG2 3.77Å; V890-T892 PolarHBondContact O-N 3.05Å; V890-T892 VanDerWaalsContact O-N 3.08Å |
| 893 | V | 59.2 | Low | 47.4 | Very low | 98 Ų | 98 | 83.8 Ų | 83.8 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | | | trans | -115.8 | 98.2 | 168.3 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | A895 | V893-A895 PolarHBondContact O-N 3.21Š|
| 894 | P | 54.8 | Low | 47 | Very low | 61 Ų | 61 | 83.9 Ų | 83.9 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 124.4 | -175.4 | -25.4 | 34.9 | 0 | 0 | 0 | 112.8 | A922 | P894-A922 HydrophobicContact CB-CB 4.4Å; P894-A922 VanDerWaalsContact O-CB 3.26Å; P894-A922 WeakPolarHBondContact O-CB 3.41Å |
| 895 | A | 66.5 | Low | 46.8 | Very low | 38 Ų | 38 | 85.1 Ų | 85.1 | 31% | 0.314 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 135.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P867 V893 | P867-A895 HydrophobicContact CB-CB 4.5Å; P867-A895 WeakPolarHBondContact O-CB 3.33Å; V893-A895 PolarHBondContact O-N 3.21Å |
| 896 | P | 68.3 | Low | 46.8 | Very low | 86 Ų | 86 | 88.1 Ų | 88.1 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 129.9 | -177.9 | 25.6 | -33.8 | 0 | 0 | 0 | 109.8 | | |
| 897 | P | 64.2 | Low | 46.4 | Very low | 74 Ų | 74 | 90.6 Ų | 90.6 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 147.8 | -175.9 | 25.2 | -34.2 | 0 | 0 | 0 | 111.1 | P925 | P897-P925 HydrophobicContact CG-CG 4.15Š|
| 898 | P | 53.4 | Low | 46.1 | Very low | 42 Ų | 42 | 91.2 Ų | 91.2 | 27% | 0.273 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.5 | 165.9 | 27.3 | -32.7 | 0 | 0 | 0 | 109.4 | P870 V901 | P870-P898 HydrophobicContact CG-CG 4.38Å; P898-V901 HydrophobicContact CG-CG2 3.98Å |
| 899 | A | 44.8 | Very low | 45.7 | Very low | 71 Ų | 71 | 90.4 Ų | 90.4 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 150.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 900 | D | 38.2 | Very low | 45.7 | Very low | 162 Ų | 162 | 91.3 Ų | 91.3 | 87% | 0.866 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.9 | 36 | 178.2 | -52.7 | -32.9 | 0 | 0 | 0 | 117.3 | | |
| 901 | V | 33.7 | Very low | 45.5 | Very low | 69 Ų | 69 | 90.9 Ų | 90.9 | 42% | 0.418 | 55% | 0.554 | S | S | . | * | | | trans | -108.9 | 131.2 | 169.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | P898 V903 | P898-V901 HydrophobicContact CG-CG2 3.98Å; V901-V903 HydrophobicContact CG1-CG2 4.15Å |
| 902 | S | 36.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 90.6 Ų | 90.6 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | | | trans | -118.8 | 114.6 | 176 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 903 | V | 35.6 | Very low | 45.2 | Very low | 120 Ų | 120 | 89.9 Ų | 89.9 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | | | trans | -103.7 | 143.6 | -179 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | V901 | V901-V903 HydrophobicContact CG1-CG2 4.15Š|
| 904 | I | 34 | Very low | 44.5 | Very low | 152 Ų | 152 | 89.3 Ų | 89.3 | 78% | 0.779 | 55% | 0.549 | S | S | * | . | | | trans | -133.2 | 127.8 | 169.9 | -57.2 | 174.7 | 0 | 0 | 0 | 106.1 | | |
| 905 | A | 36.7 | Very low | 44.1 | Very low | 64 Ų | 64 | 91.2 Ų | 91.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | | | trans | -131.4 | 115.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 906 | D | 39.3 | Very low | 43.1 | Very low | 143 Ų | 143 | 96 Ų | 96 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | | | trans | -99.1 | 89 | 173.4 | -75.6 | -36.3 | 0 | 0 | 0 | 108.3 | | |
| 907 | S | 37.7 | Very low | 41.9 | Very low | 88 Ų | 88 | 94.6 Ų | 94.6 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | | | trans | -126.8 | 126.7 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 908 | I | 38.7 | Very low | 41.1 | Very low | 99 Ų | 99 | 95 Ų | 95 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | | | trans | -131.5 | 107.1 | 176.3 | -54.9 | 175.2 | 0 | 0 | 0 | 108.3 | | |
| 909 | P | 38.6 | Very low | 40.6 | Very low | 74 Ų | 74 | 95.6 Ų | 95.6 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | | | trans | -77 | 134.1 | 169.1 | 30.4 | -31.6 | 0 | 0 | 0 | 110.5 | | |
| 910 | E | 43 | Very low | 41.3 | Very low | 163 Ų | 163 | 97 Ų | 97 | 76% | 0.762 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -89.9 | 6.9 | 177 | -75.1 | -162.9 | 166.3 | 0 | 0 | 113.7 | | |
| 911 | T | 41.2 | Very low | 42 | Very low | 47 Ų | 47 | 92 Ų | 92 | 29% | 0.288 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -136.3 | 135.4 | -179.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 912 | P | 39.6 | Very low | 43.6 | Very low | 82 Ų | 82 | 90.5 Ų | 90.5 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | | | trans | -74.1 | 130.1 | 178.4 | 30.4 | -34.2 | 0 | 0 | 0 | 111.7 | V940 | P912-V940 HydrophobicContact CB-CG1 4.16Å; P912-V940 HydrophobicContact CB-CG2 4.22Å |
| 913 | V | 45.8 | Very low | 45.1 | Very low | 36 Ų | 36 | 89.2 Ų | 89.2 | 22% | 0.218 | 52% | 0.523 | C | S | . | . | | | trans | -108.9 | 154.7 | 171 | -167.6 | 0 | 0 | 0 | 0 | 107.9 | P885 V886 E915 V940 | P885-V913 HydrophobicContact CB-CB 4.47Å; P885-V913 HydrophobicContact CB-CG1 4.14Å; P885-V913 HydrophobicContact CB-CG2 4.28Å; V886-V913 WeakPolarHBondContact O-CG1 3.31Å; V913-E915 HydrophobicContact CB-CG 4.41Å; V913-E915 HydrophobicContact CG1-CG 3.75Å; V913-V940 VanDerWaalsContact O-CG1 3.22Å; V913-V940 WeakPolarHBondContact O-CG1 3.26Å |
| 914 | S | 43.2 | Very low | 46.5 | Very low | 87 Ų | 87 | 87 Ų | 87 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | | | trans | -119.2 | 96.3 | 176.5 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 915 | E | 47 | Very low | 47.5 | Very low | 101 Ų | 101 | 81.6 Ų | 81.6 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | | | trans | -110.7 | 129.7 | -175.5 | -57.2 | -179 | -173.1 | 0 | 0 | 111.1 | V913 V917 | V913-E915 HydrophobicContact CB-CG 4.41Å; V913-E915 HydrophobicContact CG1-CG 3.75Å; E915-V917 HydrophobicContact CB-CG2 3.57Å; E915-V917 PolarHBondContact O-N 3.31Å |
| 916 | E | 45.1 | Very low | 47.9 | Very low | 139 Ų | 139 | 82 Ų | 82 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | | | trans | -90.3 | 71.8 | 170.5 | -81.4 | -167.6 | -141.8 | 0 | 0 | 110.6 | T918 | E916-T918 PolarHBondContact O-N 2.95Š|
| 917 | V | 44.9 | Very low | 47.8 | Very low | 56 Ų | 56 | 82.6 Ų | 82.6 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | | | trans | -76 | 91.2 | -171.5 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | E915 T919 | E915-V917 HydrophobicContact CB-CG2 3.57Å; E915-V917 PolarHBondContact O-N 3.31Å; V917-T919 HydrophobicContact CG1-CG2 3.77Å; V917-T919 PolarHBondContact O-N 3.25Å |
| 918 | T | 45.3 | Very low | 47.6 | Very low | 82 Ų | 82 | 81.8 Ų | 81.8 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | | | trans | -82 | 75.7 | 176.2 | -58 | 0 | 0 | 0 | 0 | 112.2 | E916 | E916-T918 PolarHBondContact O-N 2.95Š|
| 919 | T | 45 | Very low | 47.6 | Very low | 54 Ų | 54 | 82.7 Ų | 82.7 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | | | trans | -81.4 | 134.2 | 177.3 | 40.4 | 0 | 0 | 0 | 0 | 113.6 | V917 P921 | V917-T919 HydrophobicContact CG1-CG2 3.77Å; V917-T919 PolarHBondContact O-N 3.25Å; T919-P921 WeakPolarHBondContact O-CD 3.44Å |
| 920 | V | 58.1 | Low | 47.4 | Very low | 101 Ų | 101 | 84.8 Ų | 84.8 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | | | trans | -110.9 | 91.4 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | A922 | V920-A922 PolarHBondContact O-N 3.04Š|
| 921 | P | 53.3 | Low | 47 | Very low | 58 Ų | 58 | 84.2 Ų | 84.2 | 38% | 0.377 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -65 | 123.4 | -173.4 | 22.8 | -32.1 | 0 | 0 | 0 | 111.9 | T919 A949 | T919-P921 WeakPolarHBondContact O-CD 3.44Å; P921-A949 HydrophobicContact CG-CB 3.99Å; P921-A949 VanDerWaalsContact O-CB 3.25Å; P921-A949 WeakPolarHBondContact O-CB 3.5Å |
| 922 | A | 66.8 | Low | 46.8 | Very low | 37 Ų | 37 | 85 Ų | 85 | 31% | 0.306 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 140.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P894 V920 | P894-A922 HydrophobicContact CB-CB 4.4Å; P894-A922 VanDerWaalsContact O-CB 3.26Å; P894-A922 WeakPolarHBondContact O-CB 3.41Å; V920-A922 PolarHBondContact O-N 3.04Å |
| 923 | P | 69 | Low | 46.7 | Very low | 90 Ų | 90 | 87.7 Ų | 87.7 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 125.7 | -178 | 25.9 | -33.8 | 0 | 0 | 0 | 109.9 | | |
| 924 | P | 65 | Low | 46.3 | Very low | 73 Ų | 73 | 89.6 Ų | 89.6 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 148.7 | -175.9 | 23.5 | -32.4 | 0 | 0 | 0 | 111.3 | P952 | P924-P952 HydrophobicContact CG-CG 4.02Š|
| 925 | P | 53.5 | Low | 46.1 | Very low | 40 Ų | 40 | 90.2 Ų | 90.2 | 26% | 0.26 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 149.2 | 168 | 27.5 | -33.7 | 0 | 0 | 0 | 109.8 | P897 V928 | P897-P925 HydrophobicContact CG-CG 4.15Å; P925-V928 HydrophobicContact CG-CG2 3.97Å |
| 926 | A | 45.2 | Very low | 45.7 | Very low | 71 Ų | 71 | 89.3 Ų | 89.3 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -61.2 | 149.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 927 | D | 38.5 | Very low | 45.6 | Very low | 157 Ų | 157 | 90.7 Ų | 90.7 | 84% | 0.84 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 70.3 | 49.4 | 176.4 | -49.9 | -31.2 | 0 | 0 | 0 | 116.3 | | |
| 928 | V | 34.1 | Very low | 45.4 | Very low | 71 Ų | 71 | 90.6 Ų | 90.6 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | | | trans | -117 | 134.7 | 168.2 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | P925 V930 | P925-V928 HydrophobicContact CG-CG2 3.97Å; V928-V930 HydrophobicContact CG1-CG2 4.19Å |
| 929 | S | 36.9 | Very low | 45.1 | Very low | 117 Ų | 117 | 90.6 Ų | 90.6 | 82% | 0.818 | 55% | 0.552 | S | S | * | * | | | trans | -123 | 118 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 930 | V | 36.1 | Very low | 45.2 | Very low | 118 Ų | 118 | 89.8 Ų | 89.8 | 72% | 0.715 | 55% | 0.548 | S | S | * | . | | | trans | -108 | 143.6 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | V928 | V928-V930 HydrophobicContact CG1-CG2 4.19Š|
| 931 | I | 33.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 89.3 Ų | 89.3 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | | | trans | -135.1 | 128 | 171 | -58.3 | 172.8 | 0 | 0 | 0 | 106.1 | | |
| 932 | A | 36.6 | Very low | 44.2 | Very low | 64 Ų | 64 | 91.2 Ų | 91.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | | | trans | -133.9 | 111.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 933 | D | 37.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 96.2 Ų | 96.2 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | | | trans | -95 | 92.4 | 172.5 | -75.9 | -32.8 | 0 | 0 | 0 | 108.2 | | |
| 934 | S | 37.6 | Very low | 42.1 | Very low | 76 Ų | 76 | 95 Ų | 95 | 53% | 0.531 | 56% | 0.56 | S | S | . | * | | | trans | -136.7 | 127.1 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 935 | I | 38.6 | Very low | 41.2 | Very low | 100 Ų | 100 | 95.8 Ų | 95.8 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | | | trans | -129.7 | 109.7 | 179 | -55.8 | 173.6 | 0 | 0 | 0 | 108 | | |
| 936 | P | 38.8 | Very low | 40.8 | Very low | 82 Ų | 82 | 96.5 Ų | 96.5 | 53% | 0.532 | 57% | 0.568 | S | S | . | * | | | trans | -75.8 | 134 | 169.5 | 30 | -31.7 | 0 | 0 | 0 | 110.5 | | |
| 937 | E | 42.7 | Very low | 41.3 | Very low | 167 Ų | 167 | 98.1 Ų | 98.1 | 78% | 0.78 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -91 | 7.3 | 178.2 | -78.2 | -162.6 | 167.2 | 0 | 0 | 113.9 | | |
| 938 | T | 41.4 | Very low | 42.1 | Very low | 54 Ų | 54 | 93.7 Ų | 93.7 | 33% | 0.331 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -138.7 | 135.6 | -179.3 | 51 | 0 | 0 | 0 | 0 | 112.8 | | |
| 939 | P | 40.2 | Very low | 43.6 | Very low | 82 Ų | 82 | 92 Ų | 92 | 53% | 0.532 | 54% | 0.543 | S | S | . | . | | | trans | -74.5 | 131.2 | 177.8 | 30.7 | -34.2 | 0 | 0 | 0 | 111.7 | V967 | P939-V967 HydrophobicContact CB-CG2 4.38Š|
| 940 | V | 45.8 | Very low | 45.2 | Very low | 38 Ų | 38 | 90.6 Ų | 90.6 | 23% | 0.23 | 53% | 0.531 | C | S | . | . | | | trans | -110.7 | 155.9 | 170.6 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | P912 V913 E942 V967 | P912-V940 HydrophobicContact CB-CG1 4.16Å; P912-V940 HydrophobicContact CB-CG2 4.22Å; V913-V940 VanDerWaalsContact O-CG1 3.22Å; V913-V940 WeakPolarHBondContact O-CG1 3.26Å; V940-E942 HydrophobicContact CB-CG 4.38Å; V940-E942 HydrophobicContact CG1-CG 3.78Å; V940-V967 VanDerWaalsContact O-CG1 3.25Å; V940-V967 WeakPolarHBondContact O-CG1 3.13Å |
| 941 | S | 43.8 | Very low | 46.6 | Very low | 90 Ų | 90 | 88.3 Ų | 88.3 | 63% | 0.629 | 52% | 0.519 | S | S | * | . | | | trans | -117.7 | 101.9 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 942 | E | 47.8 | Very low | 47.6 | Very low | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | | | trans | -115.9 | 131.5 | -173.9 | -58.8 | 178.7 | -167.3 | 0 | 0 | 110.8 | V940 V944 | V940-E942 HydrophobicContact CB-CG 4.38Å; V940-E942 HydrophobicContact CG1-CG 3.78Å; E942-V944 HydrophobicContact CB-CG2 3.63Å; E942-V944 PolarHBondContact O-N 3.09Å |
| 943 | E | 45.2 | Very low | 48.1 | Very low | 142 Ų | 142 | 83.2 Ų | 83.2 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | | | trans | -92.7 | 76.1 | 171.8 | -81.6 | -168.7 | -139.2 | 0 | 0 | 110.5 | T945 | E943-T945 PolarHBondContact O-N 3.37Å; E943-T945 VanDerWaalsContact O-N 3.09Å |
| 944 | V | 45.9 | Very low | 48.3 | Very low | 63 Ų | 63 | 84 Ų | 84 | 38% | 0.382 | 50% | 0.5 | S | S | . | . | | | trans | -80.7 | 92.3 | -170.1 | -173.3 | 0 | 0 | 0 | 0 | 113 | E942 T946 | E942-V944 HydrophobicContact CB-CG2 3.63Å; E942-V944 PolarHBondContact O-N 3.09Å; V944-T946 HydrophobicContact CG1-CG2 3.89Å; V944-T946 PolarHBondContact O-N 3.09Å; V944-T946 VanDerWaalsContact O-N 3.09Å |
| 945 | T | 45.3 | Very low | 48.1 | Very low | 91 Ų | 91 | 83.8 Ų | 83.8 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | | | trans | -83.5 | 76 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | E943 | E943-T945 PolarHBondContact O-N 3.37Å; E943-T945 VanDerWaalsContact O-N 3.09Å |
| 946 | T | 45.1 | Very low | 48.1 | Very low | 55 Ų | 55 | 84.3 Ų | 84.3 | 34% | 0.337 | 51% | 0.508 | S | S | . | . | | | trans | -80.5 | 141.4 | 175.9 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | V944 | V944-T946 HydrophobicContact CG1-CG2 3.89Å; V944-T946 PolarHBondContact O-N 3.09Å; V944-T946 VanDerWaalsContact O-N 3.09Å |
| 947 | V | 57.2 | Low | 48 | Very low | 105 Ų | 105 | 85.9 Ų | 85.9 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | | | trans | -117.3 | 97.8 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | A949 | V947-A949 PolarHBondContact O-N 2.94Š|
| 948 | P | 53.4 | Low | 47.7 | Very low | 63 Ų | 63 | 85.1 Ų | 85.1 | 41% | 0.409 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 123.7 | -173.4 | -24.6 | 34.4 | 0 | 0 | 0 | 113.3 | A976 | P948-A976 HydrophobicContact CB-CB 4.21Å; P948-A976 VanDerWaalsContact O-CB 3.29Å; P948-A976 WeakPolarHBondContact O-CB 3.47Å |
| 949 | A | 66.5 | Low | 47.5 | Very low | 36 Ų | 36 | 85.7 Ų | 85.7 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 138.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P921 V947 | P921-A949 HydrophobicContact CG-CB 3.99Å; P921-A949 VanDerWaalsContact O-CB 3.25Å; P921-A949 WeakPolarHBondContact O-CB 3.5Å; V947-A949 PolarHBondContact O-N 2.94Å |
| 950 | P | 70 | Confident | 47.3 | Very low | 88 Ų | 88 | 88.4 Ų | 88.4 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 125.6 | -177.5 | 26.3 | -33.8 | 0 | 0 | 0 | 110.4 | | |
| 951 | P | 66.9 | Low | 47 | Very low | 69 Ų | 69 | 90 Ų | 90 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.5 | -174.7 | 21.7 | -31.1 | 0 | 0 | 0 | 112.6 | P979 | P951-P979 HydrophobicContact CG-CG 3.91Š|
| 952 | P | 55 | Low | 46.8 | Very low | 39 Ų | 39 | 90.1 Ų | 90.1 | 25% | 0.253 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 153.5 | 170.8 | 27.2 | -32.8 | 0 | 0 | 0 | 110.8 | P924 D954 V955 | P924-P952 HydrophobicContact CG-CG 4.02Å; P952-D954 VanDerWaalsContact C-N 3.27Å; P952-D954 PolarHBondContact O-N 3.36Å; P952-V955 HydrophobicContact CG-CG2 3.88Å |
| 953 | A | 46.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 89.3 Ų | 89.3 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -72.3 | -3.5 | -154.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 954 | D | 40.6 | Very low | 46.4 | Very low | 154 Ų | 154 | 90.6 Ų | 90.6 | 82% | 0.824 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -144.1 | 68.2 | -172.5 | -68.1 | -83 | 0 | 0 | 0 | 110.9 | P952 | P952-D954 VanDerWaalsContact C-N 3.27Å; P952-D954 PolarHBondContact O-N 3.36Å |
| 955 | V | 34.8 | Very low | 46.3 | Very low | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.436 | 55% | 0.548 | S | S | . | . | | | trans | -127.4 | 136.1 | 177.3 | -174 | 0 | 0 | 0 | 0 | 111 | P952 V957 | P952-V955 HydrophobicContact CG-CG2 3.88Å; V955-V957 HydrophobicContact CG1-CG2 4.12Å |
| 956 | S | 38.3 | Very low | 46.1 | Very low | 112 Ų | 112 | 89.3 Ų | 89.3 | 78% | 0.783 | 55% | 0.545 | S | S | * | . | | | trans | -123.7 | 120.2 | 175.2 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 957 | V | 36.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 88.8 Ų | 88.8 | 70% | 0.697 | 54% | 0.541 | S | S | * | . | | | trans | -109.9 | 143.9 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | V955 | V955-V957 HydrophobicContact CG1-CG2 4.12Š|
| 958 | I | 35.7 | Very low | 45.6 | Very low | 150 Ų | 150 | 87.9 Ų | 87.9 | 77% | 0.769 | 54% | 0.54 | S | S | * | . | | | trans | -136 | 129.9 | 171.1 | -56.5 | 174.8 | 0 | 0 | 0 | 106.1 | | |
| 959 | A | 37 | Very low | 45.4 | Very low | 66 Ų | 66 | 89.6 Ų | 89.6 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | | | trans | -136.1 | 119.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 960 | D | 36.3 | Very low | 44.5 | Very low | 139 Ų | 139 | 94.6 Ų | 94.6 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | | | trans | -105 | 72.1 | 178.6 | -78.5 | -33.4 | 0 | 0 | 0 | 109.6 | | |
| 961 | S | 38.8 | Very low | 43.3 | Very low | 72 Ų | 72 | 92.8 Ų | 92.8 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | | | trans | -122.3 | 124.5 | -176.6 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 962 | I | 40.7 | Very low | 42.4 | Very low | 93 Ų | 93 | 94 Ų | 94 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | | | trans | -124.5 | 114.7 | 176.1 | -55.7 | 173.5 | 0 | 0 | 0 | 108.5 | | |
| 963 | P | 39.9 | Very low | 42 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | | | trans | -76.1 | 134 | 170.2 | 30.1 | -31.9 | 0 | 0 | 0 | 110.9 | | |
| 964 | E | 45.2 | Very low | 42.6 | Very low | 169 Ų | 169 | 96.4 Ų | 96.4 | 79% | 0.79 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -89.1 | 7.1 | 178.1 | -74.2 | -162.7 | 172.3 | 0 | 0 | 113.9 | | |
| 965 | T | 43.3 | Very low | 43.3 | Very low | 51 Ų | 51 | 92 Ų | 92 | 31% | 0.313 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -140.9 | 137.9 | -179.8 | 52.9 | 0 | 0 | 0 | 0 | 113 | | |
| 966 | P | 41.2 | Very low | 44.8 | Very low | 76 Ų | 76 | 90.3 Ų | 90.3 | 49% | 0.494 | 53% | 0.533 | S | S | . | . | | | trans | -74.5 | 136.2 | 178.2 | 30.8 | -34.8 | 0 | 0 | 0 | 112.2 | V994 | P966-V994 HydrophobicContact CB-CG2 4.47Š|
| 967 | V | 46.7 | Very low | 46.4 | Very low | 43 Ų | 43 | 89.2 Ų | 89.2 | 26% | 0.261 | 52% | 0.523 | S | S | . | . | | | trans | -112.6 | 158.6 | 172 | -169.9 | 0 | 0 | 0 | 0 | 108 | P939 V940 E969 V994 | P939-V967 HydrophobicContact CB-CG2 4.38Å; V940-V967 VanDerWaalsContact O-CG1 3.25Å; V940-V967 WeakPolarHBondContact O-CG1 3.13Å; V967-E969 HydrophobicContact CB-CG 4.44Å; V967-E969 HydrophobicContact CG1-CG 3.78Å; V967-V994 VanDerWaalsContact O-CG1 3.23Å; V967-V994 WeakPolarHBondContact O-CG1 3.28Å |
| 968 | S | 45 | Very low | 47.8 | Very low | 87 Ų | 87 | 86.8 Ų | 86.8 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | | | trans | -121.9 | 103.5 | 174.7 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 969 | E | 48.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 81.4 Ų | 81.4 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | | | trans | -115.2 | 134.9 | -173.6 | -57.7 | -180 | -168.1 | 0 | 0 | 110.8 | V967 V971 | V967-E969 HydrophobicContact CB-CG 4.44Å; V967-E969 HydrophobicContact CG1-CG 3.78Å; E969-V971 HydrophobicContact CB-CG2 3.63Å |
| 970 | E | 47 | Very low | 49.2 | Very low | 141 Ų | 141 | 81.1 Ų | 81.1 | 66% | 0.659 | 48% | 0.482 | S | S | * | . | | | trans | -96 | 83.4 | 169.2 | -84.4 | -168.5 | -143 | 0 | 0 | 110 | T972 | E970-T972 PolarHBondContact O-N 3.18Š|
| 971 | V | 45.9 | Very low | 49.4 | Very low | 51 Ų | 51 | 81.1 Ų | 81.1 | 31% | 0.309 | 48% | 0.482 | S | S | . | . | | | trans | -86.6 | 90.3 | -169.4 | -177 | 0 | 0 | 0 | 0 | 112.7 | E969 T973 | E969-V971 HydrophobicContact CB-CG2 3.63Å; V971-T973 HydrophobicContact CG1-CG2 3.68Å; V971-T973 PolarHBondContact O-N 2.84Å; V971-T973 VanDerWaalsContact O-N 3.08Å |
| 972 | T | 48.2 | Very low | 49.2 | Very low | 93 Ų | 93 | 80.8 Ų | 80.8 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | | | trans | -83 | 76.5 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | E970 | E970-T972 PolarHBondContact O-N 3.18Š|
| 973 | T | 45.4 | Very low | 49.1 | Very low | 58 Ų | 58 | 81.7 Ų | 81.7 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | | | trans | -84.7 | 135.1 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | V971 P975 | V971-T973 HydrophobicContact CG1-CG2 3.68Å; V971-T973 PolarHBondContact O-N 2.84Å; V971-T973 VanDerWaalsContact O-N 3.08Å; T973-P975 WeakPolarHBondContact O-CD 3.5Å |
| 974 | V | 60.2 | Low | 49 | Very low | 103 Ų | 103 | 83.2 Ų | 83.2 | 62% | 0.624 | 50% | 0.499 | S | S | * | . | | | trans | -112.2 | 92.1 | 169.6 | -177 | 0 | 0 | 0 | 0 | 109 | A976 | V974-A976 PolarHBondContact O-N 3.48Š|
| 975 | P | 54.1 | Low | 48.6 | Very low | 60 Ų | 60 | 81.9 Ų | 81.9 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 123.4 | -171 | 23.6 | -33.3 | 0 | 0 | 0 | 112.4 | T973 A1003 | T973-P975 WeakPolarHBondContact O-CD 3.5Å; P975-A1003 HydrophobicContact CG-CB 4.19Å; P975-A1003 VanDerWaalsContact O-CB 3.3Å; P975-A1003 WeakPolarHBondContact O-CB 3.43Å |
| 976 | A | 67.3 | Low | 48.3 | Very low | 37 Ų | 37 | 82.5 Ų | 82.5 | 31% | 0.306 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 138.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P948 V974 | P948-A976 HydrophobicContact CB-CB 4.21Å; P948-A976 VanDerWaalsContact O-CB 3.29Å; P948-A976 WeakPolarHBondContact O-CB 3.47Å; V974-A976 PolarHBondContact O-N 3.48Å |
| 977 | P | 70.9 | Confident | 48.1 | Very low | 89 Ų | 89 | 85.2 Ų | 85.2 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 126 | -176.2 | 26.2 | -34 | 0 | 0 | 0 | 110.8 | | |
| 978 | P | 65.7 | Low | 47.8 | Very low | 65 Ų | 65 | 86.3 Ų | 86.3 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.1 | -172.7 | 22 | -32.2 | 0 | 0 | 0 | 113.2 | P1006 | P978-P1006 HydrophobicContact CG-CG 3.85Š|
| 979 | P | 54.6 | Low | 47.6 | Very low | 37 Ų | 37 | 86.3 Ų | 86.3 | 24% | 0.24 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 152 | 168.8 | 27.2 | -31.9 | 0 | 0 | 0 | 110.7 | P951 D981 V982 | P951-P979 HydrophobicContact CG-CG 3.91Å; P979-D981 VanDerWaalsContact C-N 3.3Å; P979-D981 PolarHBondContact O-N 3.46Å; P979-V982 HydrophobicContact CG-CG2 3.81Å |
| 980 | A | 48 | Very low | 47.3 | Very low | 60 Ų | 60 | 85.4 Ų | 85.4 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.1 | -150.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 981 | D | 40.3 | Very low | 47.2 | Very low | 139 Ų | 139 | 86.8 Ų | 86.8 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.5 | 45.7 | -173.7 | -69.3 | -79.9 | 0 | 0 | 0 | 112.3 | P979 | P979-D981 VanDerWaalsContact C-N 3.3Å; P979-D981 PolarHBondContact O-N 3.46Å |
| 982 | V | 35.1 | Very low | 47.2 | Very low | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | | | trans | -99.2 | 144.5 | 178.8 | -176 | 0 | 0 | 0 | 0 | 112.1 | P979 V984 | P979-V982 HydrophobicContact CG-CG2 3.81Å; V982-V984 HydrophobicContact CG1-CG2 4.11Å |
| 983 | S | 39.2 | Very low | 46.9 | Very low | 113 Ų | 113 | 86 Ų | 86 | 79% | 0.79 | 52% | 0.524 | S | S | * | . | | | trans | -125.1 | 127.2 | 172.9 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 984 | V | 37.4 | Very low | 47 | Very low | 113 Ų | 113 | 85.4 Ų | 85.4 | 69% | 0.685 | 52% | 0.52 | S | S | * | . | | | trans | -120.5 | 141.8 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | V982 | V982-V984 HydrophobicContact CG1-CG2 4.11Š|
| 985 | I | 36.9 | Very low | 46.4 | Very low | 141 Ų | 141 | 84.6 Ų | 84.6 | 72% | 0.723 | 52% | 0.519 | S | S | * | . | | | trans | -137.2 | 130.5 | 170.9 | -56.3 | 175.2 | 0 | 0 | 0 | 105.5 | | |
| 986 | A | 37.3 | Very low | 46.3 | Very low | 64 Ų | 64 | 85.8 Ų | 85.8 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | | | trans | -138.2 | 111.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 987 | D | 37.2 | Very low | 45.4 | Very low | 134 Ų | 134 | 90.9 Ų | 90.9 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | | | trans | -96.7 | 81.5 | 177.2 | -70.2 | -19.4 | 0 | 0 | 0 | 109.4 | | |
| 988 | S | 39.7 | Very low | 44.2 | Very low | 65 Ų | 65 | 89 Ų | 89 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | | | trans | -128.9 | 126.1 | -178.3 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 989 | I | 41.1 | Very low | 43.6 | Very low | 88 Ų | 88 | 90.2 Ų | 90.2 | 45% | 0.451 | 53% | 0.53 | S | S | . | . | | | trans | -124.6 | 114.8 | 175.8 | -54.3 | 174.2 | 0 | 0 | 0 | 108.6 | | |
| 990 | P | 41.3 | Very low | 43.2 | Very low | 78 Ų | 78 | 91.1 Ų | 91.1 | 51% | 0.506 | 54% | 0.535 | S | S | . | . | | | trans | -77.6 | 130.2 | 171.3 | 30.1 | -31.7 | 0 | 0 | 0 | 111 | T992 | P990-T992 VanDerWaalsContact C-N 3.34Š|
| 991 | E | 46.6 | Very low | 43.8 | Very low | 170 Ų | 170 | 93.4 Ų | 93.4 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -86.4 | 5.8 | 177.8 | -75.8 | -164.1 | -175.3 | 0 | 0 | 113.8 | | |
| 992 | T | 44.2 | Very low | 44.4 | Very low | 53 Ų | 53 | 89.5 Ų | 89.5 | 33% | 0.325 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -142.6 | 139.7 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | P990 | P990-T992 VanDerWaalsContact C-N 3.34Š|
| 993 | P | 42.6 | Very low | 45.9 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | | | trans | -73.2 | 138.5 | 178.8 | 30.5 | -35.3 | 0 | 0 | 0 | 112.4 | | |
| 994 | V | 47.9 | Very low | 47.3 | Very low | 45 Ų | 45 | 87.1 Ų | 87.1 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | | | trans | -112.8 | 162 | 173.3 | -170.5 | 0 | 0 | 0 | 0 | 108 | P966 V967 E996 V1021 | P966-V994 HydrophobicContact CB-CG2 4.47Å; V967-V994 VanDerWaalsContact O-CG1 3.23Å; V967-V994 WeakPolarHBondContact O-CG1 3.28Å; V994-E996 HydrophobicContact CG1-CG 3.8Å; V994-V1021 WeakPolarHBondContact O-CG1 3.26Å |
| 995 | S | 46.6 | Very low | 48.5 | Very low | 86 Ų | 86 | 85 Ų | 85 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | | | trans | -128.3 | 106.6 | 173.9 | 59.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 996 | E | 51.7 | Low | 49.3 | Very low | 86 Ų | 86 | 79.6 Ų | 79.6 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | | | trans | -118.1 | 136.4 | -173.8 | -56.4 | -179.3 | -168.3 | 0 | 0 | 110.6 | V994 V998 | V994-E996 HydrophobicContact CG1-CG 3.8Å; E996-V998 HydrophobicContact CB-CG2 3.62Å |
| 997 | E | 49.4 | Very low | 49.8 | Very low | 144 Ų | 144 | 77.9 Ų | 77.9 | 67% | 0.673 | 46% | 0.46 | S | S | * | . | | | trans | -99.1 | 83.4 | 169.5 | -81.9 | -168.9 | -147 | 0 | 0 | 109.8 | T999 | E997-T999 PolarHBondContact O-N 2.79Š|
| 998 | V | 46.7 | Very low | 49.9 | Very low | 50 Ų | 50 | 74 Ų | 74 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | | | trans | -89.5 | 92.6 | -169.1 | -161.6 | 0 | 0 | 0 | 0 | 113.1 | E996 T1000 | E996-V998 HydrophobicContact CB-CG2 3.62Å; V998-T1000 HydrophobicContact CG1-CG2 3.74Å; V998-T1000 PolarHBondContact O-N 2.94Å |
| 999 | T | 51.1 | Low | 49.7 | Very low | 90 Ų | 90 | 74.3 Ų | 74.3 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | | | trans | -80.8 | 78.4 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | E997 | E997-T999 PolarHBondContact O-N 2.79Š|
| 1000 | T | 46.6 | Very low | 49.6 | Very low | 56 Ų | 56 | 75.6 Ų | 75.6 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | | | trans | -77.7 | 135 | 177.3 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | V998 P1002 | V998-T1000 HydrophobicContact CG1-CG2 3.74Å; V998-T1000 PolarHBondContact O-N 2.94Å; T1000-P1002 WeakPolarHBondContact O-CD 3.48Å |
| 1001 | V | 60.8 | Low | 49.4 | Very low | 107 Ų | 107 | 77.2 Ų | 77.2 | 65% | 0.648 | 46% | 0.463 | S | S | * | . | | | trans | -115.3 | 89 | 166.8 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | A1003 | V1001-A1003 PolarHBondContact O-N 2.98Š|
| 1002 | P | 53.3 | Low | 48.9 | Very low | 58 Ų | 58 | 75.7 Ų | 75.7 | 38% | 0.377 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 119.9 | -171 | 23.6 | -33.4 | 0 | 0 | 0 | 112.3 | T1000 A1030 | T1000-P1002 WeakPolarHBondContact O-CD 3.48Å; P1002-A1030 HydrophobicContact CG-CB 4.48Å; P1002-A1030 WeakPolarHBondContact O-CB 3.2Å |
| 1003 | A | 66.4 | Low | 48.6 | Very low | 39 Ų | 39 | 76.1 Ų | 76.1 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 136.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P975 V1001 | P975-A1003 HydrophobicContact CG-CB 4.19Å; P975-A1003 VanDerWaalsContact O-CB 3.3Å; P975-A1003 WeakPolarHBondContact O-CB 3.43Å; V1001-A1003 PolarHBondContact O-N 2.98Å |
| 1004 | P | 69.1 | Low | 48.4 | Very low | 87 Ų | 87 | 78.5 Ų | 78.5 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 126.4 | -174.6 | 25 | -34 | 0 | 0 | 0 | 110.7 | | |
| 1005 | P | 62.8 | Low | 48 | Very low | 68 Ų | 68 | 79.3 Ų | 79.3 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 150 | -171.3 | 23.5 | -33.6 | 0 | 0 | 0 | 112.3 | A1007 P1033 | P1005-A1007 PolarHBondContact O-N 3.02Å; P1005-P1033 HydrophobicContact CG-CG 4.02Å |
| 1006 | P | 52.7 | Low | 47.8 | Very low | 29 Ų | 29 | 79.3 Ų | 79.3 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 126.9 | 167 | 28.7 | -32.7 | 0 | 0 | 0 | 109.3 | P978 D1008 V1009 | P978-P1006 HydrophobicContact CG-CG 3.85Å; P1006-D1008 PolarHBondContact O-N 3.13Å; P1006-V1009 HydrophobicContact CG-CG2 4.12Å |
| 1007 | A | 47.9 | Very low | 47.3 | Very low | 28 Ų | 28 | 78.5 Ų | 78.5 | 23% | 0.231 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -55.5 | 137.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1005 | P1005-A1007 PolarHBondContact O-N 3.02Š|
| 1008 | D | 39.7 | Very low | 47.3 | Very low | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.283 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 91.8 | 37.6 | -167.1 | -68.8 | -36.5 | 0 | 0 | 0 | 118.1 | K264 K268 P1006 | K264-D1008 IonicContact NZ-OD2 2.81Å; K264-D1008 PolarHBondContact NZ-OD2 2.98Å; K268-D1008 IonicContact NZ-OD1 3.94Å; K268-D1008 PolarHBondContact NZ-OD1 3.08Å; K268-D1008 IonicContact NZ-OD2 3.61Å; K268-D1008 PolarHBondContact NZ-OD2 2.96Å; K268-D1008 VanDerWaalsContact NZ-OD2 3.1Å; P1006-D1008 PolarHBondContact O-N 3.13Å |
| 1009 | V | 35 | Very low | 47.2 | Very low | 71 Ų | 71 | 79.6 Ų | 79.6 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | | | trans | -107.4 | 146.3 | 167.6 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | P1006 V1011 | P1006-V1009 HydrophobicContact CG-CG2 4.12Å; V1009-V1011 HydrophobicContact CG1-CG2 4.03Å |
| 1010 | S | 39 | Very low | 46.9 | Very low | 115 Ų | 115 | 78.8 Ų | 78.8 | 80% | 0.804 | 48% | 0.48 | S | S | * | . | | | trans | -137.5 | 119.8 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1011 | V | 36.9 | Very low | 47 | Very low | 112 Ų | 112 | 78.4 Ų | 78.4 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | | | trans | -110 | 143.2 | -177.6 | -174.9 | 0 | 0 | 0 | 0 | 109 | V1009 | V1009-V1011 HydrophobicContact CG1-CG2 4.03Š|
| 1012 | I | 36.9 | Very low | 46.4 | Very low | 137 Ų | 137 | 77.5 Ų | 77.5 | 70% | 0.703 | 48% | 0.476 | S | S | * | . | | | trans | -137.2 | 130.5 | 168.3 | -56.2 | 175.5 | 0 | 0 | 0 | 105 | | |
| 1013 | A | 38.1 | Very low | 46.3 | Very low | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | | | trans | -138.4 | 116.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1014 | D | 37.9 | Very low | 45.5 | Very low | 126 Ų | 126 | 84.4 Ų | 84.4 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | | | trans | -103 | 69 | -178.9 | -68.4 | -17.9 | 0 | 0 | 0 | 109.4 | | |
| 1015 | S | 40.2 | Very low | 44.5 | Very low | 62 Ų | 62 | 82.9 Ų | 82.9 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | | | trans | -117.9 | 122.7 | -175.6 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1016 | I | 41.6 | Very low | 43.9 | Very low | 86 Ų | 86 | 84.4 Ų | 84.4 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | | | trans | -119.9 | 114.5 | 175.1 | -54.4 | 174.8 | 0 | 0 | 0 | 108.9 | | |
| 1017 | P | 42 | Very low | 43.6 | Very low | 69 Ų | 69 | 85.5 Ų | 85.5 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | | | trans | -79.3 | 127.7 | 172 | 30.4 | -31.5 | 0 | 0 | 0 | 111.2 | T1019 | P1017-T1019 VanDerWaalsContact C-N 3.32Å; P1017-T1019 PolarHBondContact O-N 3.18Å |
| 1018 | E | 48.1 | Very low | 44.1 | Very low | 166 Ų | 166 | 89.7 Ų | 89.7 | 78% | 0.776 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -83 | 2.2 | 178.3 | -75.3 | -164.4 | -177 | 0 | 0 | 114 | | |
| 1019 | T | 45.2 | Very low | 44.7 | Very low | 50 Ų | 50 | 90.1 Ų | 90.1 | 31% | 0.307 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -142.8 | 140 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 113 | P1017 | P1017-T1019 VanDerWaalsContact C-N 3.32Å; P1017-T1019 PolarHBondContact O-N 3.18Å |
| 1020 | P | 45.3 | Very low | 46.2 | Very low | 74 Ų | 74 | 88.8 Ų | 88.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | | | trans | -71.5 | 138.4 | -180 | 29.5 | -35.5 | 0 | 0 | 0 | 112.6 | | |
| 1021 | V | 48.6 | Very low | 47.5 | Very low | 47 Ų | 47 | 87.6 Ų | 87.6 | 29% | 0.285 | 51% | 0.514 | S | S | . | . | | | trans | -109.4 | 162.9 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V994 E1023 | V994-V1021 WeakPolarHBondContact O-CG1 3.26Å; V1021-E1023 HydrophobicContact CG1-CG 3.79Å |
| 1022 | S | 47.1 | Very low | 48.7 | Very low | 89 Ų | 89 | 85.6 Ų | 85.6 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | | | trans | -129.9 | 108 | 173.3 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1023 | E | 51.6 | Low | 49.3 | Very low | 94 Ų | 94 | 81 Ų | 81 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | | | trans | -117.7 | 138.4 | -174.6 | -55.8 | -177.4 | -169.8 | 0 | 0 | 110.7 | V1021 V1025 | V1021-E1023 HydrophobicContact CG1-CG 3.79Å; E1023-V1025 HydrophobicContact CB-CG2 3.72Å |
| 1024 | E | 50.6 | Low | 49.8 | Very low | 148 Ų | 148 | 80.8 Ų | 80.8 | 69% | 0.692 | 48% | 0.481 | S | S | * | . | | | trans | -99.7 | 89.2 | 168.6 | -82 | -168.2 | -150.4 | 0 | 0 | 110 | T1026 | E1024-T1026 PolarHBondContact O-N 3.34Š|
| 1025 | V | 47 | Very low | 49.9 | Very low | 54 Ų | 54 | 80.2 Ų | 80.2 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | | | trans | -91.8 | 92.7 | -169.1 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | E1023 T1027 | E1023-V1025 HydrophobicContact CB-CG2 3.72Å; V1025-T1027 HydrophobicContact CG1-CG2 3.78Å; V1025-T1027 PolarHBondContact O-N 3.34Å |
| 1026 | T | 51.4 | Low | 49.6 | Very low | 100 Ų | 100 | 80.7 Ų | 80.7 | 61% | 0.613 | 48% | 0.478 | S | S | * | . | | | trans | -87 | 80.8 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | E1024 | E1024-T1026 PolarHBondContact O-N 3.34Š|
| 1027 | T | 45.9 | Very low | 49.5 | Very low | 53 Ų | 53 | 81.8 Ų | 81.8 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | | | trans | -85.6 | 133.3 | 178 | 47 | 0 | 0 | 0 | 0 | 113.9 | V1025 P1029 | V1025-T1027 HydrophobicContact CG1-CG2 3.78Å; V1025-T1027 PolarHBondContact O-N 3.34Å; T1027-P1029 WeakPolarHBondContact O-CD 3.32Å |
| 1028 | V | 58.5 | Low | 49.3 | Very low | 116 Ų | 116 | 84 Ų | 84 | 70% | 0.703 | 51% | 0.505 | S | S | * | . | | | trans | -110.8 | 92.8 | 167.4 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | A1030 | V1028-A1030 PolarHBondContact O-N 2.93Å; V1028-A1030 VanDerWaalsContact O-N 3.16Å |
| 1029 | P | 52.1 | Low | 48.8 | Very low | 62 Ų | 62 | 82.4 Ų | 82.4 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 117.3 | -171.9 | 24.3 | -33.6 | 0 | 0 | 0 | 112 | T1027 | T1027-P1029 WeakPolarHBondContact O-CD 3.32Š|
| 1030 | A | 65.3 | Low | 48.4 | Very low | 42 Ų | 42 | 82.9 Ų | 82.9 | 35% | 0.347 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 135.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1002 V1028 | P1002-A1030 HydrophobicContact CG-CB 4.48Å; P1002-A1030 WeakPolarHBondContact O-CB 3.2Å; V1028-A1030 PolarHBondContact O-N 2.93Å; V1028-A1030 VanDerWaalsContact O-N 3.16Å |
| 1031 | P | 67.9 | Low | 48.1 | Very low | 90 Ų | 90 | 85 Ų | 85 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 127.9 | -175.9 | 24.8 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 1032 | P | 60.9 | Low | 47.7 | Very low | 71 Ų | 71 | 85.6 Ų | 85.6 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.3 | -175 | 25.7 | -34.1 | 0 | 0 | 0 | 111.1 | P1060 | P1032-P1060 HydrophobicContact CG-CG 4.22Š|
| 1033 | P | 50.6 | Low | 47.4 | Very low | 40 Ų | 40 | 85 Ų | 85 | 26% | 0.26 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 146.4 | 162.9 | 30.3 | -34.9 | 0 | 0 | 0 | 109.2 | P1005 V1036 | P1005-P1033 HydrophobicContact CG-CG 4.02Å; P1033-V1036 HydrophobicContact CG-CG2 4.4Å |
| 1034 | A | 47.3 | Very low | 47 | Very low | 57 Ų | 57 | 83.7 Ų | 83.7 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -58.6 | 153.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1035 | D | 40 | Very low | 47 | Very low | 115 Ų | 115 | 84.2 Ų | 84.2 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | | | trans | 66.8 | 64.5 | -178.2 | -53.9 | -44.1 | 0 | 0 | 0 | 115.4 | | |
| 1036 | V | 35.5 | Very low | 47 | Very low | 72 Ų | 72 | 83.9 Ų | 83.9 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | | | trans | -118.2 | 138.6 | 164.3 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | P1033 V1038 | P1033-V1036 HydrophobicContact CG-CG2 4.4Å; V1036-V1038 HydrophobicContact CG1-CG2 4.14Å |
| 1037 | S | 39.4 | Very low | 46.8 | Very low | 109 Ų | 109 | 82.5 Ų | 82.5 | 76% | 0.762 | 51% | 0.505 | S | S | * | . | | | trans | -126.3 | 121.3 | 174.3 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1038 | V | 37.5 | Very low | 47 | Very low | 115 Ų | 115 | 82.3 Ų | 82.3 | 70% | 0.697 | 50% | 0.504 | S | S | * | . | | | trans | -110.4 | 140.7 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | V1036 | V1036-V1038 HydrophobicContact CG1-CG2 4.14Š|
| 1039 | I | 36.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 80.8 Ų | 80.8 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | | | trans | -137.5 | 127.9 | 168.6 | -56.8 | 175.1 | 0 | 0 | 0 | 104.5 | | |
| 1040 | A | 37.7 | Very low | 46.6 | Very low | 60 Ų | 60 | 82.4 Ų | 82.4 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | | | trans | -132.7 | 116.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1041 | D | 38.4 | Very low | 46 | Very low | 119 Ų | 119 | 88 Ų | 88 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | | | trans | -100.9 | 89.5 | 173.9 | -70.4 | -42.1 | 0 | 0 | 0 | 107.1 | | |
| 1042 | S | 40.5 | Very low | 45.1 | Very low | 58 Ų | 58 | 86.2 Ų | 86.2 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | | | trans | -145.2 | 122 | -176.8 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1043 | I | 41.5 | Very low | 44.7 | Very low | 78 Ų | 78 | 88 Ų | 88 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | | | trans | -119.8 | 113.8 | 178.7 | -55.1 | 175.2 | 0 | 0 | 0 | 108.1 | | |
| 1044 | P | 42.8 | Very low | 44.4 | Very low | 65 Ų | 65 | 88.9 Ų | 88.9 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | | | trans | -79.4 | 126.6 | 172.2 | 30.3 | -31.4 | 0 | 0 | 0 | 110.8 | T1046 | P1044-T1046 VanDerWaalsContact C-N 3.29Å; P1044-T1046 PolarHBondContact O-N 3Å |
| 1045 | E | 49.4 | Very low | 45.1 | Very low | 159 Ų | 159 | 91.6 Ų | 91.6 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -80.8 | 0.9 | 178.8 | -72.2 | -164.7 | -177.9 | 0 | 0 | 114.1 | | |
| 1046 | T | 47.8 | Very low | 45.7 | Very low | 47 Ų | 47 | 88.9 Ų | 88.9 | 29% | 0.288 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -142 | 140.3 | 178.1 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | P1044 | P1044-T1046 VanDerWaalsContact C-N 3.29Å; P1044-T1046 PolarHBondContact O-N 3Å |
| 1047 | P | 47.6 | Very low | 47.1 | Very low | 71 Ų | 71 | 87.3 Ų | 87.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | | | trans | -71.5 | 138 | -178.7 | 29.2 | -35.6 | 0 | 0 | 0 | 112.8 | | |
| 1048 | V | 50.1 | Low | 48.5 | Very low | 50 Ų | 50 | 86.3 Ų | 86.3 | 30% | 0.303 | 51% | 0.506 | S | S | . | . | | | trans | -106.3 | 163 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | E1050 | V1048-E1050 HydrophobicContact CG1-CG 3.81Š|
| 1049 | S | 48.6 | Very low | 49.7 | Very low | 83 Ų | 83 | 84.1 Ų | 84.1 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | | | trans | -131 | 108.6 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 110 | | |
| 1050 | E | 52.4 | Low | 50.5 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | | | trans | -116.2 | 137.8 | -175.3 | -55.4 | -175.8 | -170.5 | 0 | 0 | 111.1 | V1048 V1052 | V1048-E1050 HydrophobicContact CG1-CG 3.81Å; E1050-V1052 HydrophobicContact CB-CG2 3.66Å |
| 1051 | E | 54 | Low | 50.9 | Low | 159 Ų | 159 | 79.5 Ų | 79.5 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | | | trans | -99.8 | 92.1 | 166.3 | -83.3 | -167.2 | -159.2 | 0 | 0 | 109.7 | T1053 | E1051-T1053 PolarHBondContact O-N 3.46Š|
| 1052 | V | 47.6 | Very low | 51 | Low | 53 Ų | 53 | 80.1 Ų | 80.1 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | | | trans | -97.8 | 97.7 | -171 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | E1050 T1054 | E1050-V1052 HydrophobicContact CB-CG2 3.66Å; V1052-T1054 HydrophobicContact CG1-CG2 3.86Å; V1052-T1054 PolarHBondContact O-N 3.27Å |
| 1053 | T | 52.9 | Low | 50.8 | Low | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | | | trans | -88.4 | 86.9 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | E1051 | E1051-T1053 PolarHBondContact O-N 3.46Š|
| 1054 | T | 45.6 | Very low | 50.8 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | | | trans | -87.3 | 140.2 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | V1052 | V1052-T1054 HydrophobicContact CG1-CG2 3.86Å; V1052-T1054 PolarHBondContact O-N 3.27Å |
| 1055 | V | 60.2 | Low | 50.6 | Low | 115 Ų | 115 | 84 Ų | 84 | 70% | 0.697 | 50% | 0.503 | S | S | * | . | | | trans | -118.8 | 94.4 | 166.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | A1057 | V1055-A1057 PolarHBondContact O-N 3.19Š|
| 1056 | P | 52.7 | Low | 50.1 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 120.5 | -171.2 | 24.5 | -33.4 | 0 | 0 | 0 | 112.3 | | |
| 1057 | A | 64.9 | Low | 49.6 | Very low | 39 Ų | 39 | 83 Ų | 83 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1055 | V1055-A1057 PolarHBondContact O-N 3.19Š|
| 1058 | P | 68.6 | Low | 49.2 | Very low | 89 Ų | 89 | 84.7 Ų | 84.7 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 127.8 | -177.9 | 25.7 | -33.9 | 0 | 0 | 0 | 110.3 | | |
| 1059 | P | 63.1 | Low | 48.8 | Very low | 68 Ų | 68 | 85.1 Ų | 85.1 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 153 | -174.1 | 27.1 | -34.3 | 0 | 0 | 0 | 111.8 | P1087 | P1059-P1087 HydrophobicContact CG-CG 4.22Š|
| 1060 | P | 54.1 | Low | 48.5 | Very low | 37 Ų | 37 | 84.6 Ų | 84.6 | 24% | 0.24 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.8 | 164.8 | 29.3 | -34.7 | 0 | 0 | 0 | 110.1 | P1032 V1063 | P1032-P1060 HydrophobicContact CG-CG 4.22Å; P1060-V1063 HydrophobicContact CG-CG2 4.39Å |
| 1061 | A | 46.4 | Very low | 48.1 | Very low | 59 Ų | 59 | 82.7 Ų | 82.7 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -64.3 | 155.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1087 | A1061-P1087 HydrophobicContact CB-CB 4.48Š|
| 1062 | D | 40.6 | Very low | 48 | Very low | 132 Ų | 132 | 81.7 Ų | 81.7 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | | | trans | 65 | 69.9 | 177.7 | -50.4 | -21.4 | 0 | 0 | 0 | 114.5 | | |
| 1063 | V | 36.6 | Very low | 48.1 | Very low | 76 Ų | 76 | 81.2 Ų | 81.2 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | | | trans | -120.2 | 139 | 166.7 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | P1060 V1065 | P1060-V1063 HydrophobicContact CG-CG2 4.39Å; V1063-V1065 HydrophobicContact CG1-CG2 4.1Å |
| 1064 | S | 40.3 | Very low | 47.9 | Very low | 102 Ų | 102 | 79.3 Ų | 79.3 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | | | trans | -132.1 | 129.3 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1065 | V | 39.2 | Very low | 48.2 | Very low | 105 Ų | 105 | 78.8 Ų | 78.8 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | | | trans | -119.2 | 140.5 | -174.1 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V1063 | V1063-V1065 HydrophobicContact CG1-CG2 4.1Š|
| 1066 | I | 37.6 | Very low | 47.6 | Very low | 127 Ų | 127 | 77.2 Ų | 77.2 | 65% | 0.651 | 48% | 0.477 | S | S | * | . | | | trans | -136.1 | 127.1 | 169.6 | -56.9 | 174.7 | 0 | 0 | 0 | 104.7 | | |
| 1067 | A | 38.8 | Very low | 47.7 | Very low | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | | | trans | -130.3 | 116.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1068 | D | 39.2 | Very low | 47.2 | Very low | 106 Ų | 106 | 84.8 Ų | 84.8 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | | | trans | -101.9 | 95.2 | 171.8 | -69.5 | -43.6 | 0 | 0 | 0 | 106.4 | | |
| 1069 | S | 41.4 | Very low | 46.2 | Very low | 59 Ų | 59 | 83.4 Ų | 83.4 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | | | trans | -152.3 | 123.8 | -178.8 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1070 | I | 42.2 | Very low | 45.8 | Very low | 72 Ų | 72 | 85.5 Ų | 85.5 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | | | trans | -120.5 | 114.3 | 179 | -57.7 | 176.6 | 0 | 0 | 0 | 108.2 | I1097 | I1070-I1097 WeakPolarHBondContact CG2-O 3.36Š|
| 1071 | P | 44.6 | Very low | 45.5 | Very low | 57 Ų | 57 | 86.3 Ų | 86.3 | 37% | 0.37 | 51% | 0.507 | S | S | . | . | | | trans | -79.8 | 125.2 | 171 | 30.4 | -31.1 | 0 | 0 | 0 | 110.6 | T1073 | P1071-T1073 VanDerWaalsContact C-N 3.29Å; P1071-T1073 PolarHBondContact O-N 3.31Å |
| 1072 | E | 51.2 | Low | 46.2 | Very low | 139 Ų | 139 | 88.9 Ų | 88.9 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -81 | -0.4 | 178.9 | -70.4 | -165.5 | -174 | 0 | 0 | 114.1 | | |
| 1073 | T | 50 | Low | 46.9 | Very low | 42 Ų | 42 | 85.6 Ų | 85.6 | 26% | 0.258 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -140.5 | 141.5 | 177.6 | 63 | 0 | 0 | 0 | 0 | 112.8 | P1071 | P1071-T1073 VanDerWaalsContact C-N 3.29Å; P1071-T1073 PolarHBondContact O-N 3.31Å |
| 1074 | P | 48.5 | Very low | 48.3 | Very low | 69 Ų | 69 | 83.7 Ų | 83.7 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | | | trans | -72.4 | 133.9 | -177.4 | 29.4 | -35.4 | 0 | 0 | 0 | 112.7 | | |
| 1075 | V | 50.8 | Low | 49.8 | Very low | 47 Ų | 47 | 83.3 Ų | 83.3 | 29% | 0.285 | 49% | 0.489 | S | S | . | . | | | trans | -98.5 | 162.4 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | E1077 | V1075-E1077 HydrophobicContact CG1-CG 3.75Š|
| 1076 | S | 49.1 | Very low | 51 | Low | 82 Ų | 82 | 81.4 Ų | 81.4 | 57% | 0.573 | 48% | 0.479 | S | S | * | . | | | trans | -130.4 | 106.8 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 110 | | |
| 1077 | E | 53.3 | Low | 52 | Low | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | | | trans | -114.8 | 137.6 | -175.4 | -54.7 | -174.6 | -170.3 | 0 | 0 | 111.4 | V1075 V1079 | V1075-E1077 HydrophobicContact CG1-CG 3.75Å; E1077-V1079 HydrophobicContact CB-CG2 3.69Å |
| 1078 | E | 54.9 | Low | 52.5 | Low | 160 Ų | 160 | 77.1 Ų | 77.1 | 75% | 0.748 | 46% | 0.46 | S | S | * | . | | | trans | -100.3 | 92.9 | 166.3 | -82.8 | -166.6 | -157 | 0 | 0 | 110 | | |
| 1079 | V | 48.7 | Very low | 52.7 | Low | 59 Ų | 59 | 78.1 Ų | 78.1 | 36% | 0.358 | 47% | 0.465 | S | S | . | . | | | trans | -98.1 | 100.7 | -170.1 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | E1077 T1081 | E1077-V1079 HydrophobicContact CB-CG2 3.69Å; V1079-T1081 HydrophobicContact CG1-CG2 3.87Å; V1079-T1081 PolarHBondContact O-N 2.75Å |
| 1080 | T | 54.8 | Low | 52.6 | Low | 113 Ų | 113 | 78.4 Ų | 78.4 | 69% | 0.693 | 46% | 0.464 | S | S | * | . | | | trans | -95.4 | 86 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1081 | T | 47.1 | Very low | 52.7 | Low | 54 Ų | 54 | 79.6 Ų | 79.6 | 33% | 0.331 | 48% | 0.479 | S | S | . | . | | | trans | -90.5 | 139.7 | 178.4 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | V1079 | V1079-T1081 HydrophobicContact CG1-CG2 3.87Å; V1079-T1081 PolarHBondContact O-N 2.75Å |
| 1082 | V | 61.9 | Low | 52.6 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 69% | 0.685 | 49% | 0.488 | S | S | * | . | | | trans | -116.7 | 97.2 | 167.3 | -177.7 | 0 | 0 | 0 | 0 | 109 | A1084 | V1082-A1084 PolarHBondContact O-N 3.22Š|
| 1083 | P | 54.3 | Low | 52 | Low | 62 Ų | 62 | 80 Ų | 80 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 127.1 | -170.9 | 25.5 | -33.6 | 0 | 0 | 0 | 112.9 | | |
| 1084 | A | 66.9 | Low | 51.6 | Low | 36 Ų | 36 | 80.4 Ų | 80.4 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 143.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1082 | V1082-A1084 PolarHBondContact O-N 3.22Š|
| 1085 | P | 71.1 | Confident | 51.3 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 129.3 | -178.8 | 26.6 | -34.1 | 0 | 0 | 0 | 111 | | |
| 1086 | P | 64.4 | Low | 51 | Low | 66 Ų | 66 | 82 Ų | 82 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 157.9 | -172.6 | 28.8 | -34.5 | 0 | 0 | 0 | 113.4 | P1114 | P1086-P1114 HydrophobicContact CG-CG 4.27Š|
| 1087 | P | 58.8 | Low | 50.7 | Low | 33 Ų | 33 | 81.1 Ų | 81.1 | 21% | 0.214 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 163.6 | 169.9 | 28.7 | -34.6 | 0 | 0 | 0 | 111.8 | P1059 A1061 D1089 V1090 | P1059-P1087 HydrophobicContact CG-CG 4.22Å; A1061-P1087 HydrophobicContact CB-CB 4.48Å; P1087-D1089 PolarHBondContact O-N 3.31Å; P1087-V1090 HydrophobicContact CG-CG2 4.5Å |
| 1088 | A | 49.6 | Very low | 50.4 | Low | 62 Ų | 62 | 79.1 Ų | 79.1 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -77.6 | -12.7 | -156 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1089 | D | 44 | Very low | 50.5 | Low | 126 Ų | 126 | 77.3 Ų | 77.3 | 67% | 0.674 | 47% | 0.474 | S | S | * | . | | | trans | -137.8 | 109.8 | -175.7 | -62 | -96 | 0 | 0 | 0 | 108.7 | P1087 | P1087-D1089 PolarHBondContact O-N 3.31Š|
| 1090 | V | 39.1 | Very low | 50.7 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | | | trans | -141.7 | 141 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | P1087 V1092 | P1087-V1090 HydrophobicContact CG-CG2 4.5Å; V1090-V1092 HydrophobicContact CG1-CG2 4.05Å |
| 1091 | S | 43.9 | Very low | 50.5 | Low | 97 Ų | 97 | 73.9 Ų | 73.9 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | | | trans | -129.5 | 124.7 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1092 | V | 41.6 | Very low | 50.7 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | | | trans | -115.2 | 139.2 | -178 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | V1090 | V1090-V1092 HydrophobicContact CG1-CG2 4.05Š|
| 1093 | I | 39.9 | Very low | 50.2 | Low | 112 Ų | 112 | 71.7 Ų | 71.7 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | | | trans | -135.4 | 128.7 | 168.6 | -56.9 | 174.6 | 0 | 0 | 0 | 104.7 | | |
| 1094 | A | 40.5 | Very low | 50.2 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | | | trans | -135.3 | 117.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109 | S1123 | A1094-S1123 PolarHBondContact O-OG 2.89Š|
| 1095 | D | 42.9 | Very low | 49.6 | Very low | 99 Ų | 99 | 79.3 Ų | 79.3 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | | | trans | -106.8 | 94.2 | 174.2 | -63.1 | -14.7 | 0 | 0 | 0 | 106.3 | | |
| 1096 | S | 43.5 | Very low | 48.6 | Very low | 49 Ų | 49 | 77.6 Ų | 77.6 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | | | trans | -152.2 | 123 | -177.4 | -71.6 | 0 | 0 | 0 | 0 | 113 | S1123 | S1096-S1123 PolarHBondContact N-OG 2.84Å; S1096-S1123 PolarHBondContact O-OG 2.76Å |
| 1097 | I | 44.6 | Very low | 48.1 | Very low | 65 Ų | 65 | 79.8 Ų | 79.8 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | | | trans | -119.9 | 114.5 | -179.5 | -63.7 | 177 | 0 | 0 | 0 | 108.8 | I1070 I1124 | I1070-I1097 WeakPolarHBondContact CG2-O 3.36Å; I1097-I1124 WeakPolarHBondContact CG1-O 3.47Å; I1097-I1124 WeakPolarHBondContact CG2-O 3.27Å |
| 1098 | P | 46.9 | Very low | 47.5 | Very low | 52 Ų | 52 | 80.8 Ų | 80.8 | 34% | 0.338 | 47% | 0.474 | S | S | . | . | | | trans | -81.7 | 123 | 170.5 | 30.7 | -30.9 | 0 | 0 | 0 | 111 | T1100 | P1098-T1100 VanDerWaalsContact C-N 3.3Å; P1098-T1100 PolarHBondContact O-N 3.4Å |
| 1099 | E | 55.5 | Low | 48.2 | Very low | 123 Ų | 123 | 83.1 Ų | 83.1 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -79.9 | -3.5 | 178.7 | -71.3 | -166.1 | -169.3 | 0 | 0 | 114 | | |
| 1100 | T | 54.4 | Low | 48.7 | Very low | 36 Ų | 36 | 80 Ų | 80 | 22% | 0.221 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -137.1 | 142.6 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | P1098 | P1098-T1100 VanDerWaalsContact C-N 3.3Å; P1098-T1100 PolarHBondContact O-N 3.4Å |
| 1101 | P | 49.5 | Very low | 50 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | | | trans | -75.7 | 130.3 | -174.7 | 30.5 | -34.7 | 0 | 0 | 0 | 112.2 | T1127 | P1101-T1127 WeakPolarHBondContact CD-OG1 3.42Š|
| 1102 | V | 51.6 | Low | 51.4 | Low | 42 Ų | 42 | 78.3 Ų | 78.3 | 26% | 0.255 | 46% | 0.459 | S | S | . | . | | | trans | -93 | 159.6 | 172.1 | -171 | 0 | 0 | 0 | 0 | 108.9 | E1104 | V1102-E1104 HydrophobicContact CG1-CG 3.7Š|
| 1103 | S | 51 | Low | 52.5 | Low | 79 Ų | 79 | 76.9 Ų | 76.9 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | | | trans | -129.1 | 103.1 | 171.9 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1104 | E | 54.6 | Low | 53.5 | Low | 99 Ų | 99 | 73 Ų | 73 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | | | trans | -112.3 | 136.8 | -175.7 | -53.8 | -174.8 | -172.3 | 0 | 0 | 111.7 | V1102 V1106 | V1102-E1104 HydrophobicContact CG1-CG 3.7Å; E1104-V1106 HydrophobicContact CB-CG2 3.67Å; E1104-V1106 WeakPolarHBondContact OE2-CG2 3.33Å |
| 1105 | E | 55.3 | Low | 54.1 | Low | 158 Ų | 158 | 73.4 Ų | 73.4 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | | | trans | -99 | 87.1 | 166 | -83.1 | -164.9 | -159.6 | 0 | 0 | 110.3 | T1107 | E1105-T1107 PolarHBondContact O-N 2.95Š|
| 1106 | V | 49.1 | Very low | 54.3 | Low | 59 Ų | 59 | 74.4 Ų | 74.4 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | | | trans | -91.3 | 99 | -171.8 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | E1104 T1108 | E1104-V1106 HydrophobicContact CB-CG2 3.67Å; E1104-V1106 WeakPolarHBondContact OE2-CG2 3.33Å; V1106-T1108 HydrophobicContact CG1-CG2 3.73Å; V1106-T1108 PolarHBondContact O-N 3.11Å |
| 1107 | T | 53.8 | Low | 54.2 | Low | 112 Ų | 112 | 75 Ų | 75 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | | | trans | -94.6 | 86.1 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | E1105 | E1105-T1107 PolarHBondContact O-N 2.95Š|
| 1108 | T | 47.4 | Very low | 54.4 | Low | 54 Ų | 54 | 76 Ų | 76 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | | | trans | -94.5 | 143.8 | 179.9 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | V1106 | V1106-T1108 HydrophobicContact CG1-CG2 3.73Å; V1106-T1108 PolarHBondContact O-N 3.11Å |
| 1109 | V | 63.7 | Low | 54.3 | Low | 111 Ų | 111 | 77.3 Ų | 77.3 | 67% | 0.673 | 46% | 0.464 | S | S | * | . | | | trans | -120.1 | 98.5 | 169.7 | -178 | 0 | 0 | 0 | 0 | 109.2 | A1111 | V1109-A1111 PolarHBondContact O-N 3.38Š|
| 1110 | P | 54.7 | Low | 53.8 | Low | 60 Ų | 60 | 76 Ų | 76 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 128 | -172.3 | -25.3 | 35.1 | 0 | 0 | 0 | 114.2 | | |
| 1111 | A | 66.2 | Low | 53.2 | Low | 36 Ų | 36 | 76.7 Ų | 76.7 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 141.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1109 | V1109-A1111 PolarHBondContact O-N 3.38Š|
| 1112 | P | 72.1 | Confident | 53.1 | Low | 90 Ų | 90 | 78.1 Ų | 78.1 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 130.2 | -179 | 27 | -34 | 0 | 0 | 0 | 111.1 | | |
| 1113 | P | 65.9 | Low | 52.8 | Low | 64 Ų | 64 | 78.1 Ų | 78.1 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 160.3 | -172.7 | 29.2 | -34.2 | 0 | 0 | 0 | 113.7 | P1141 | P1113-P1141 HydrophobicContact CG-CG 4.26Š|
| 1114 | P | 61.5 | Low | 52.6 | Low | 32 Ų | 32 | 77 Ų | 77 | 21% | 0.208 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 167.6 | 170.9 | 28.8 | -35.2 | 0 | 0 | 0 | 112.3 | P1086 D1116 | P1086-P1114 HydrophobicContact CG-CG 4.27Å; P1114-D1116 PolarHBondContact O-N 2.79Å |
| 1115 | A | 52.5 | Low | 52.3 | Low | 58 Ų | 58 | 74.7 Ų | 74.7 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -79.3 | -18 | -154.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1116 | D | 47.1 | Very low | 52.4 | Low | 119 Ų | 119 | 72.3 Ų | 72.3 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | | | trans | -136.2 | 109.2 | -172.9 | -62.8 | -96.1 | 0 | 0 | 0 | 109 | P1114 | P1114-D1116 PolarHBondContact O-N 2.79Š|
| 1117 | V | 41.8 | Very low | 52.8 | Low | 61 Ų | 61 | 71.2 Ų | 71.2 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | | | trans | -138.2 | 142 | 179.4 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | V1119 | V1117-V1119 HydrophobicContact CG1-CG2 4.05Š|
| 1118 | S | 48.2 | Very low | 52.5 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.2 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1119 | V | 44.3 | Very low | 52.7 | Low | 80 Ų | 80 | 68.2 Ų | 68.2 | 49% | 0.485 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.8 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | V1117 | V1117-V1119 HydrophobicContact CG1-CG2 4.05Å |
| 1120 | I | 44.3 | Very low | 52.1 | Low | 97 Ų | 97 | 66.8 Ų | 66.8 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.4 | 169.7 | -54.9 | 175.8 | 0 | 0 | 0 | 105.1 | | |
| 1121 | A | 43.1 | Very low | 52.2 | Low | 49 Ų | 49 | 68.8 Ų | 68.8 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 119.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1122 | D | 47.9 | Very low | 51.6 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | | | trans | -115.4 | 86.4 | 178.3 | -64.8 | 5 | 0 | 0 | 0 | 106.8 | | |
| 1123 | S | 44.8 | Very low | 50.5 | Low | 41 Ų | 41 | 73.2 Ų | 73.2 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | | | trans | -152.9 | 126.2 | -177.9 | -74.4 | 0 | 0 | 0 | 0 | 113.1 | A1094 S1096 S1150 | A1094-S1123 PolarHBondContact O-OG 2.89Å; S1096-S1123 PolarHBondContact N-OG 2.84Å; S1096-S1123 PolarHBondContact O-OG 2.76Å; S1123-S1150 PolarHBondContact N-OG 3.03Å; S1123-S1150 VanDerWaalsContact N-OG 3.15Å; S1123-S1150 WeakPolarHBondContact O-CB 3.25Å; S1123-S1150 PolarHBondContact O-OG 3.31Å |
| 1124 | I | 47.1 | Very low | 50 | Low | 57 Ų | 57 | 75.3 Ų | 75.3 | 29% | 0.292 | 44% | 0.442 | S | S | . | . | | | trans | -118.9 | 116.3 | -175.9 | -69.3 | 175.8 | 0 | 0 | 0 | 109.2 | I1097 I1151 | I1097-I1124 WeakPolarHBondContact CG1-O 3.47Å; I1097-I1124 WeakPolarHBondContact CG2-O 3.27Å; I1124-I1151 HydrophobicContact CD1-CB 4.17Å; I1124-I1151 VanDerWaalsContact CG1-O 3.31Å; I1124-I1151 WeakPolarHBondContact CG1-O 3.34Å; I1124-I1151 WeakPolarHBondContact CG2-O 3.4Å |
| 1125 | P | 48.2 | Very low | 49.3 | Very low | 49 Ų | 49 | 76 Ų | 76 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | | | trans | -80.1 | 123.1 | 170.8 | 30.4 | -31.2 | 0 | 0 | 0 | 111.1 | T1127 | P1125-T1127 VanDerWaalsContact C-N 3.29Å; P1125-T1127 PolarHBondContact O-N 3.22Å |
| 1126 | E | 56.8 | Low | 49.8 | Very low | 109 Ų | 109 | 78.7 Ų | 78.7 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -79.2 | -3.7 | 178.2 | -73.7 | -163.6 | -168.8 | 0 | 0 | 114 | T1154 | E1126-T1154 WeakPolarHBondContact O-CG2 3.37Š|
| 1127 | T | 56.6 | Low | 50.2 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -136.4 | 147.2 | -179.5 | 62 | 0 | 0 | 0 | 0 | 113.1 | P1101 P1125 V1129 | P1101-T1127 WeakPolarHBondContact CD-OG1 3.42Å; P1125-T1127 VanDerWaalsContact C-N 3.29Å; P1125-T1127 PolarHBondContact O-N 3.22Å; T1127-V1129 PolarHBondContact O-N 3.17Å |
| 1128 | P | 49 | Very low | 51.3 | Low | 64 Ų | 64 | 74.5 Ų | 74.5 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | | | trans | -79.4 | 122.7 | -172.7 | 30.6 | -34.2 | 0 | 0 | 0 | 111.8 | T1154 P1155 | P1128-T1154 WeakPolarHBondContact CD-OG1 3.25Å; P1128-P1155 WeakPolarHBondContact CB-O 3.11Å |
| 1129 | V | 51.9 | Low | 52.4 | Low | 39 Ų | 39 | 74.7 Ų | 74.7 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | | | trans | -85.8 | 155.8 | 171.7 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | T1127 E1131 | T1127-V1129 PolarHBondContact O-N 3.17Å; V1129-E1131 HydrophobicContact CG1-CG 3.63Å |
| 1130 | S | 51.1 | Low | 53.4 | Low | 82 Ų | 82 | 74.1 Ų | 74.1 | 57% | 0.573 | 44% | 0.436 | S | S | * | . | | | trans | -127.8 | 99.9 | 172.1 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1131 | E | 54.8 | Low | 54.2 | Low | 102 Ų | 102 | 71.1 Ų | 71.1 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | | | trans | -108.5 | 135.6 | -175.5 | -52.5 | -174.6 | -175.6 | 0 | 0 | 112.1 | V1129 V1133 | V1129-E1131 HydrophobicContact CG1-CG 3.63Å; E1131-V1133 HydrophobicContact CB-CG2 3.63Å; E1131-V1133 VanDerWaalsContact OE2-CG2 3.27Å; E1131-V1133 WeakPolarHBondContact OE2-CG2 3.29Å |
| 1132 | E | 55.5 | Low | 54.8 | Low | 158 Ų | 158 | 71.6 Ų | 71.6 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | | | trans | -98.3 | 80.7 | 165.8 | -84.5 | -163.2 | -159.8 | 0 | 0 | 110.6 | T1134 | E1132-T1134 PolarHBondContact O-N 3.31Š|
| 1133 | V | 48.9 | Very low | 54.9 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | | | trans | -85.2 | 94.8 | -172.7 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | E1131 T1135 | E1131-V1133 HydrophobicContact CB-CG2 3.63Å; E1131-V1133 VanDerWaalsContact OE2-CG2 3.27Å; E1131-V1133 WeakPolarHBondContact OE2-CG2 3.29Å; V1133-T1135 HydrophobicContact CG1-CG2 3.67Å; V1133-T1135 PolarHBondContact O-N 3.15Å |
| 1134 | T | 54.3 | Low | 54.9 | Low | 108 Ų | 108 | 73.1 Ų | 73.1 | 66% | 0.663 | 43% | 0.434 | S | S | * | . | | | trans | -90.4 | 88.5 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | E1132 | E1132-T1134 PolarHBondContact O-N 3.31Š|
| 1135 | T | 48.1 | Very low | 55.1 | Low | 48 Ų | 48 | 74.2 Ų | 74.2 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | | | trans | -99.7 | 141.9 | -179.5 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | V1133 | V1133-T1135 HydrophobicContact CG1-CG2 3.67Å; V1133-T1135 PolarHBondContact O-N 3.15Å |
| 1136 | V | 62.6 | Low | 55.1 | Low | 114 Ų | 114 | 75.3 Ų | 75.3 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | | | trans | -118 | 95.7 | 170 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | A1138 | V1136-A1138 PolarHBondContact O-N 3.19Š|
| 1137 | P | 54.2 | Low | 54.7 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 127 | -169.9 | 25.3 | -33.8 | 0 | 0 | 0 | 112.9 | V1163 A1165 | P1137-V1163 WeakPolarHBondContact CG-O 3.31Å; P1137-A1165 HydrophobicContact CG-CB 4.49Å |
| 1138 | A | 65.3 | Low | 54.2 | Low | 33 Ų | 33 | 74.6 Ų | 74.6 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 143.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1136 | V1136-A1138 PolarHBondContact O-N 3.19Š|
| 1139 | P | 72.2 | Confident | 54.3 | Low | 90 Ų | 90 | 75.6 Ų | 75.6 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 128.5 | -179.1 | 27.1 | -34 | 0 | 0 | 0 | 111 | | |
| 1140 | P | 65.2 | Low | 54.1 | Low | 68 Ų | 68 | 75.4 Ų | 75.4 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 161.9 | -173.5 | 30.2 | -34.3 | 0 | 0 | 0 | 113.5 | P1168 | P1140-P1168 HydrophobicContact CG-CG 4.22Š|
| 1141 | P | 61.2 | Low | 54 | Low | 33 Ų | 33 | 74.1 Ų | 74.1 | 21% | 0.214 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 172.7 | 172.1 | 29 | -36.1 | 0 | 0 | 0 | 112.6 | P1113 | P1113-P1141 HydrophobicContact CG-CG 4.26Š|
| 1142 | A | 54.3 | Low | 53.7 | Low | 59 Ų | 59 | 71.5 Ų | 71.5 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -80.8 | -23.2 | -154.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1143 | D | 50.3 | Low | 53.9 | Low | 112 Ų | 112 | 68.9 Ų | 68.9 | 60% | 0.599 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 113.3 | -170.9 | -63.3 | -95 | 0 | 0 | 0 | 109.3 | | |
| 1144 | V | 45 | Very low | 54.3 | Low | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.345 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.8 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | V1146 | V1144-V1146 HydrophobicContact CG1-CG2 4.02Å |
| 1145 | S | 52.1 | Low | 54.1 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.8 | 173.7 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1146 | V | 48 | Very low | 54.3 | Low | 73 Ų | 73 | 65 Ų | 65 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.6 | -177.3 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | V1144 | V1144-V1146 HydrophobicContact CG1-CG2 4.02Å |
| 1147 | I | 47.7 | Very low | 53.8 | Low | 85 Ų | 85 | 63.2 Ų | 63.2 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131 | 170.2 | -56.4 | 174.1 | 0 | 0 | 0 | 105.4 | | |
| 1148 | A | 46.3 | Very low | 53.8 | Low | 43 Ų | 43 | 65.8 Ų | 65.8 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 120.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1149 | D | 52 | Low | 53.3 | Low | 85 Ų | 85 | 71.6 Ų | 71.6 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | | | trans | -120.2 | 82.2 | -179.9 | -67.3 | 11.8 | 0 | 0 | 0 | 107.1 | | |
| 1150 | S | 46.5 | Very low | 52.2 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 25% | 0.252 | 41% | 0.414 | S | S | . | . | | | trans | -151.5 | 123.5 | -176.7 | -71.9 | 0 | 0 | 0 | 0 | 113.6 | S1123 S1177 | S1123-S1150 PolarHBondContact N-OG 3.03Å; S1123-S1150 VanDerWaalsContact N-OG 3.15Å; S1123-S1150 WeakPolarHBondContact O-CB 3.25Å; S1123-S1150 PolarHBondContact O-OG 3.31Å; S1150-S1177 PolarHBondContact N-OG 3.15Å; S1150-S1177 WeakPolarHBondContact O-CB 3.37Å; S1150-S1177 PolarHBondContact O-OG 2.93Å |
| 1151 | I | 49.2 | Very low | 51.6 | Low | 54 Ų | 54 | 72.6 Ų | 72.6 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | | | trans | -110.8 | 115.6 | -173.8 | -72.5 | 175.2 | 0 | 0 | 0 | 110.1 | I1124 I1178 | I1124-I1151 HydrophobicContact CD1-CB 4.17Å; I1124-I1151 VanDerWaalsContact CG1-O 3.31Å; I1124-I1151 WeakPolarHBondContact CG1-O 3.34Å; I1124-I1151 WeakPolarHBondContact CG2-O 3.4Å; I1151-I1178 HydrophobicContact CD1-CB 4.01Å; I1151-I1178 HydrophobicContact CG1-CB 4.47Å; I1151-I1178 WeakPolarHBondContact CG1-O 3.23Å; I1151-I1178 WeakPolarHBondContact CG2-O 3.26Å |
| 1152 | P | 49.6 | Very low | 51 | Low | 47 Ų | 47 | 73.7 Ų | 73.7 | 31% | 0.305 | 43% | 0.431 | S | S | . | . | | | trans | -78.9 | 119.5 | 170.8 | 29.9 | -31.4 | 0 | 0 | 0 | 111.2 | T1154 | P1152-T1154 VanDerWaalsContact C-N 3.3Å; P1152-T1154 PolarHBondContact O-N 3.03Å |
| 1153 | E | 58.7 | Low | 51.3 | Low | 104 Ų | 104 | 76.3 Ų | 76.3 | 49% | 0.486 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -78.5 | -6.9 | 177 | -76.5 | -162.5 | -166.3 | 0 | 0 | 113.8 | T1181 | E1153-T1181 VanDerWaalsContact O-CG2 3.26Å; E1153-T1181 WeakPolarHBondContact O-CG2 3.5Å |
| 1154 | T | 57.3 | Low | 51.5 | Low | 35 Ų | 35 | 74.1 Ų | 74.1 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -134.1 | 148.6 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | E1126 P1128 P1152 V1156 T1181 | E1126-T1154 WeakPolarHBondContact O-CG2 3.37Å; P1128-T1154 WeakPolarHBondContact CD-OG1 3.25Å; P1152-T1154 VanDerWaalsContact C-N 3.3Å; P1152-T1154 PolarHBondContact O-N 3.03Å; T1154-V1156 PolarHBondContact O-N 3.4Å; T1154-T1181 VanDerWaalsContact C-OG1 3.28Å; T1154-T1181 WeakPolarHBondContact CA-OG1 3.37Å |
| 1155 | P | 51.2 | Low | 52.4 | Low | 62 Ų | 62 | 73 Ų | 73 | 40% | 0.403 | 43% | 0.43 | S | S | . | . | | | trans | -79.8 | 116.6 | -171.7 | 30.6 | -33.9 | 0 | 0 | 0 | 111.6 | P1128 T1181 P1182 | P1128-P1155 WeakPolarHBondContact CB-O 3.11Å; P1155-T1181 WeakPolarHBondContact CD-OG1 3.3Å; P1155-P1182 WeakPolarHBondContact CB-O 2.91Å |
| 1156 | V | 52.1 | Low | 53.3 | Low | 38 Ų | 38 | 73.8 Ų | 73.8 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | | | trans | -78.4 | 152.2 | 171.1 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | T1154 E1158 | T1154-V1156 PolarHBondContact O-N 3.4Å; V1156-E1158 HydrophobicContact CG1-CG 3.62Å |
| 1157 | S | 51.6 | Low | 54.1 | Low | 76 Ų | 76 | 73.4 Ų | 73.4 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | | | trans | -126.6 | 96 | 172.8 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1158 | E | 54 | Low | 54.8 | Low | 112 Ų | 112 | 70.8 Ų | 70.8 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | | | trans | -104 | 133.8 | -176 | -51.9 | -176.2 | -176.4 | 0 | 0 | 112.3 | V1156 V1160 | V1156-E1158 HydrophobicContact CG1-CG 3.62Å; E1158-V1160 HydrophobicContact CB-CG2 3.61Å; E1158-V1160 WeakPolarHBondContact OE2-CG2 3.38Å |
| 1159 | E | 55.5 | Low | 55.3 | Low | 156 Ų | 156 | 71.6 Ų | 71.6 | 73% | 0.729 | 43% | 0.427 | S | S | * | . | | | trans | -97.7 | 77.4 | 165.2 | -84.6 | -160.2 | -170.6 | 0 | 0 | 111 | T1161 | E1159-T1161 PolarHBondContact O-N 3.26Å; E1159-T1161 VanDerWaalsContact O-N 3.13Å |
| 1160 | V | 48.4 | Very low | 55.2 | Low | 68 Ų | 68 | 71.2 Ų | 71.2 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | | | trans | -80.8 | 93.8 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | E1158 T1162 | E1158-V1160 HydrophobicContact CB-CG2 3.61Å; E1158-V1160 WeakPolarHBondContact OE2-CG2 3.38Å; V1160-T1162 HydrophobicContact CG1-CG2 3.65Å; V1160-T1162 PolarHBondContact O-N 3.08Å |
| 1161 | T | 52.4 | Low | 55.3 | Low | 110 Ų | 110 | 72 Ų | 72 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | | | trans | -90 | 79.5 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | E1159 | E1159-T1161 PolarHBondContact O-N 3.26Å; E1159-T1161 VanDerWaalsContact O-N 3.13Å |
| 1162 | T | 48.3 | Very low | 55.6 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | | | trans | -90.4 | 141.6 | -179.8 | 47.4 | 0 | 0 | 0 | 0 | 114.8 | V1160 | V1160-T1162 HydrophobicContact CG1-CG2 3.65Å; V1160-T1162 PolarHBondContact O-N 3.08Å |
| 1163 | V | 61.1 | Low | 55.6 | Low | 114 Ų | 114 | 73.4 Ų | 73.4 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | | | trans | -116 | 97.1 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | P1137 A1165 | P1137-V1163 WeakPolarHBondContact CG-O 3.31Å; V1163-A1165 PolarHBondContact O-N 3.41Å |
| 1164 | P | 53.8 | Low | 55.1 | Low | 65 Ų | 65 | 71.8 Ų | 71.8 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 126.1 | -168.8 | 24.8 | -33.6 | 0 | 0 | 0 | 113.3 | V1190 A1192 | P1164-V1190 WeakPolarHBondContact CG-O 3.5Å; P1164-A1192 HydrophobicContact CG-CB 4.49Å |
| 1165 | A | 64.2 | Low | 54.7 | Low | 35 Ų | 35 | 71.9 Ų | 71.9 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 148.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1137 V1163 | P1137-A1165 HydrophobicContact CG-CB 4.49Å; V1163-A1165 PolarHBondContact O-N 3.41Å |
| 1166 | P | 72 | Confident | 54.8 | Low | 95 Ų | 95 | 72.5 Ų | 72.5 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 134.5 | -179.4 | 27.8 | -34.3 | 0 | 0 | 0 | 111.4 | | |
| 1167 | P | 65 | Low | 54.6 | Low | 64 Ų | 64 | 72.3 Ų | 72.3 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 160 | -173.4 | 30.5 | -36.9 | 0 | 0 | 0 | 114.1 | P1195 | P1167-P1195 HydrophobicContact CG-CG 4.25Š|
| 1168 | P | 60.7 | Low | 54.5 | Low | 30 Ų | 30 | 71.3 Ų | 71.3 | 20% | 0.195 | 43% | 0.428 | C | S | . | . | | | trans | -67.5 | 176.1 | 167.5 | 30.5 | -35.7 | 0 | 0 | 0 | 112.1 | P1140 P1195 | P1140-P1168 HydrophobicContact CG-CG 4.22Å; P1168-P1195 WeakPolarHBondContact O-CB 3.41Å |
| 1169 | A | 57.1 | Low | 54.3 | Low | 60 Ų | 60 | 68 Ų | 68 | 50% | 0.496 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -82.5 | -29.6 | -156.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1170 | D | 51.6 | Low | 54.5 | Low | 77 Ų | 77 | 65.2 Ų | 65.2 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 120.7 | -169.9 | -65.9 | -84.6 | 0 | 0 | 0 | 109.7 | | |
| 1171 | V | 47.5 | Very low | 54.9 | Low | 52 Ų | 52 | 63.8 Ų | 63.8 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 139.5 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 110 | V1173 | V1171-V1173 HydrophobicContact CG1-CG2 3.98Å |
| 1172 | S | 55.4 | Low | 54.8 | Low | 69 Ų | 69 | 61.5 Ų | 61.5 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.3 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1173 | V | 50 | Low | 55 | Low | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.376 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.8 | -176.3 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | V1171 S1199 I1201 | V1171-V1173 HydrophobicContact CG1-CG2 3.98Å; V1173-S1199 PolarHBondContact N-O 2.75Å; V1173-I1201 PolarHBondContact O-N 3.49Å |
| 1174 | I | 48.3 | Very low | 54.6 | Low | 71 Ų | 71 | 58.8 Ų | 58.8 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.4 | 171.3 | -54.4 | -179.7 | 0 | 0 | 0 | 106 | I1201 | I1174-I1201 HydrophobicContact CB-CB 4.43Å; I1174-I1201 HydrophobicContact CD1-CD1 4.31Å; I1174-I1201 HydrophobicContact CG1-CB 4.21Å; I1174-I1201 HydrophobicContact CG1-CD1 4.2Å; I1174-I1201 HydrophobicContact CG2-CB 4.22Å; I1174-I1201 HydrophobicContact CG2-CG2 3.9Å |
| 1175 | A | 47.3 | Very low | 54.6 | Low | 37 Ų | 37 | 61.1 Ų | 61.1 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 116.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1201 | A1175-I1201 PolarHBondContact N-O 3.22Å |
| 1176 | D | 53.6 | Low | 54.1 | Low | 75 Ų | 75 | 67.4 Ų | 67.4 | 40% | 0.401 | 40% | 0.397 | S | S | . | . | | | trans | -114.3 | 88.3 | 176.4 | -71 | 2.7 | 0 | 0 | 0 | 106.8 | | |
| 1177 | S | 47.8 | Very low | 52.9 | Low | 34 Ų | 34 | 66.5 Ų | 66.5 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | | | trans | -152.1 | 111.1 | -173.1 | -67.2 | 0 | 0 | 0 | 0 | 113 | S1150 S1204 | S1150-S1177 PolarHBondContact N-OG 3.15Å; S1150-S1177 WeakPolarHBondContact O-CB 3.37Å; S1150-S1177 PolarHBondContact O-OG 2.93Å; S1177-S1204 PolarHBondContact N-OG 2.83Å; S1177-S1204 WeakPolarHBondContact O-CB 3.34Å; S1177-S1204 PolarHBondContact O-OG 2.81Å |
| 1178 | I | 51 | Low | 52.1 | Low | 54 Ų | 54 | 69 Ų | 69 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | | | trans | -96.3 | 114.5 | -178.6 | -73.9 | 175.8 | 0 | 0 | 0 | 110.6 | I1151 E1180 I1205 | I1151-I1178 HydrophobicContact CD1-CB 4.01Å; I1151-I1178 HydrophobicContact CG1-CB 4.47Å; I1151-I1178 WeakPolarHBondContact CG1-O 3.23Å; I1151-I1178 WeakPolarHBondContact CG2-O 3.26Å; I1178-E1180 HydrophobicContact CG2-CG 4.49Å; I1178-I1205 HydrophobicContact CD1-CB 4.23Å; I1178-I1205 WeakPolarHBondContact CG1-O 3.17Å; I1178-I1205 WeakPolarHBondContact CG2-O 3.31Å |
| 1179 | P | 49.9 | Very low | 51.5 | Low | 43 Ų | 43 | 70.8 Ų | 70.8 | 28% | 0.279 | 41% | 0.414 | S | S | . | . | | | trans | -78.6 | 120.1 | 168.1 | 30.1 | -31.2 | 0 | 0 | 0 | 110.6 | | |
| 1180 | E | 59.1 | Low | 51.6 | Low | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.453 | 42% | 0.424 | S | S | . | . | | | trans | -79.2 | -18.5 | 176.5 | -75.2 | -161.1 | -172.8 | 0 | 0 | 113.3 | I1178 T1208 | I1178-E1180 HydrophobicContact CG2-CG 4.49Å; E1180-T1208 WeakPolarHBondContact O-CG2 3.36Å; E1180-T1208 PolarHBondContact O-OG1 3.03Å |
| 1181 | T | 56.8 | Low | 51.7 | Low | 38 Ų | 38 | 73 Ų | 73 | 23% | 0.233 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -121.7 | 149.2 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | E1153 T1154 P1155 V1183 T1208 | E1153-T1181 VanDerWaalsContact O-CG2 3.26Å; E1153-T1181 WeakPolarHBondContact O-CG2 3.5Å; T1154-T1181 VanDerWaalsContact C-OG1 3.28Å; T1154-T1181 WeakPolarHBondContact CA-OG1 3.37Å; P1155-T1181 WeakPolarHBondContact CD-OG1 3.3Å; T1181-V1183 PolarHBondContact O-N 3.25Å; T1181-T1208 WeakPolarHBondContact CA-OG1 3.2Å |
| 1182 | P | 50.5 | Low | 52.4 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 40% | 0.403 | 43% | 0.425 | S | S | . | . | | | trans | -78.8 | 111.9 | -171.8 | 30.7 | -34.1 | 0 | 0 | 0 | 111.5 | P1155 T1208 | P1155-P1182 WeakPolarHBondContact CB-O 2.91Å; P1182-T1208 WeakPolarHBondContact CD-OG1 3.48Å |
| 1183 | V | 52.1 | Low | 53.2 | Low | 36 Ų | 36 | 73.8 Ų | 73.8 | 22% | 0.218 | 43% | 0.433 | C | S | . | . | | | trans | -74 | 149.5 | 170.2 | -167.4 | 0 | 0 | 0 | 0 | 109.7 | T1181 E1185 | T1181-V1183 PolarHBondContact O-N 3.25Å; V1183-E1185 HydrophobicContact CB-CG 4.49Å; V1183-E1185 HydrophobicContact CG1-CG 3.6Å |
| 1184 | S | 52.7 | Low | 53.9 | Low | 79 Ų | 79 | 73.8 Ų | 73.8 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | | | trans | -125 | 92.7 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1185 | E | 53.3 | Low | 54.4 | Low | 114 Ų | 114 | 71.9 Ų | 71.9 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | | | trans | -100 | 130.5 | -175.8 | -50.8 | -177.1 | -179.3 | 0 | 0 | 112.6 | V1183 V1187 | V1183-E1185 HydrophobicContact CB-CG 4.49Å; V1183-E1185 HydrophobicContact CG1-CG 3.6Å; E1185-V1187 HydrophobicContact CB-CG2 3.57Å; E1185-V1187 HydrophobicContact CG-CG2 4.48Å; E1185-V1187 PolarHBondContact O-N 3.48Å; E1185-V1187 WeakPolarHBondContact OE2-CG2 3.4Å |
| 1186 | E | 54.2 | Low | 55 | Low | 166 Ų | 166 | 72.4 Ų | 72.4 | 78% | 0.776 | 43% | 0.431 | S | S | * | . | | | trans | -94.9 | 71 | 165.4 | -83.6 | -158.2 | -172.4 | 0 | 0 | 111.3 | T1188 | E1186-T1188 PolarHBondContact O-N 2.73Š|
| 1187 | V | 47.7 | Very low | 55 | Low | 76 Ų | 76 | 69.1 Ų | 69.1 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | | | trans | -74.6 | 90.6 | -173.9 | -173.7 | 0 | 0 | 0 | 0 | 113.4 | E1185 T1189 | E1185-V1187 HydrophobicContact CB-CG2 3.57Å; E1185-V1187 HydrophobicContact CG-CG2 4.48Å; E1185-V1187 PolarHBondContact O-N 3.48Å; E1185-V1187 WeakPolarHBondContact OE2-CG2 3.4Å; V1187-T1189 HydrophobicContact CG1-CG2 3.57Å; V1187-T1189 PolarHBondContact O-N 3.02Å |
| 1188 | T | 48.4 | Very low | 55 | Low | 118 Ų | 118 | 69.6 Ų | 69.6 | 72% | 0.724 | 42% | 0.415 | S | S | * | . | | | trans | -87.3 | 77.5 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | E1186 | E1186-T1188 PolarHBondContact O-N 2.73Š|
| 1189 | T | 47.7 | Very low | 55.3 | Low | 66 Ų | 66 | 67.7 Ų | 67.7 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | | | trans | -92.8 | 141.8 | -179.4 | 46.7 | 0 | 0 | 0 | 0 | 114.7 | V1187 | V1187-T1189 HydrophobicContact CG1-CG2 3.57Å; V1187-T1189 PolarHBondContact O-N 3.02Å |
| 1190 | V | 58 | Low | 55.3 | Low | 114 Ų | 114 | 68.4 Ų | 68.4 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | | | trans | -113.2 | 97.7 | 169 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | P1164 A1192 | P1164-V1190 WeakPolarHBondContact CG-O 3.5Å; V1190-A1192 PolarHBondContact O-N 2.98Å |
| 1191 | P | 54.8 | Low | 54.8 | Low | 69 Ų | 69 | 65.7 Ų | 65.7 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 122.7 | -167.9 | 23.7 | -33.1 | 0 | 0 | 0 | 113.1 | | |
| 1192 | A | 62.4 | Low | 54.4 | Low | 36 Ų | 36 | 65.9 Ų | 65.9 | 30% | 0.298 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 149.1 | 160 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1164 V1190 | P1164-A1192 HydrophobicContact CG-CB 4.49Å; V1190-A1192 PolarHBondContact O-N 2.98Å |
| 1193 | P | 71.9 | Confident | 54.6 | Low | 102 Ų | 102 | 65 Ų | 65 | 66% | 0.662 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 135.6 | 179.4 | 27.6 | -34.1 | 0 | 0 | 0 | 111.2 | | |
| 1194 | P | 64.8 | Low | 54.4 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 160.1 | -175.5 | 28.9 | -36.1 | 0 | 0 | 0 | 113.3 | P1222 | P1194-P1222 HydrophobicContact CG-CG 4.28Š|
| 1195 | P | 59.4 | Low | 54.4 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 20% | 0.195 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 173.5 | 170.4 | 32.2 | -32.3 | 0 | 0 | 0 | 111 | P1167 P1168 D1197 V1198 | P1167-P1195 HydrophobicContact CG-CG 4.25Å; P1168-P1195 WeakPolarHBondContact O-CB 3.41Å; P1195-D1197 PolarHBondContact O-N 3.36Å; P1195-V1198 HydrophobicContact CG-CG2 4.35Å |
| 1196 | A | 58.6 | Low | 54.2 | Low | 48 Ų | 48 | 59.9 Ų | 59.9 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -76 | -24 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115 | F1416 | A1196-F1416 HydrophobicContact CB-CD1 4.07Å; A1196-F1416 HydrophobicContact CB-CE1 4.5Å |
| 1197 | D | 53.8 | Low | 54.4 | Low | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 130.3 | -172.5 | -63.2 | -100.4 | 0 | 0 | 0 | 110.2 | P1195 F1416 T1417 S1418 | P1195-D1197 PolarHBondContact O-N 3.36Å; D1197-F1416 WeakPolarHBondContact OD1-CE1 3.33Å; D1197-F1416 WeakPolarHBondContact OD2-CD1 3.35Å; D1197-F1416 VanDerWaalsContact OD2-CE1 3.28Å; D1197-F1416 WeakPolarHBondContact OD2-CE1 3.29Å; D1197-T1417 VanDerWaalsContact CG-CA 3.43Å; D1197-T1417 WeakPolarHBondContact OD1-CA 3.38Å; D1197-T1417 VanDerWaalsContact OD2-CA 3.23Å; D1197-T1417 WeakPolarHBondContact OD2-CA 3.27Å; D1197-T1417 PolarHBondContact OD2-N 2.69Å; D1197-S1418 WeakPolarHBondContact OD1-CB 3.48Å |
| 1198 | V | 48.8 | Very low | 54.9 | Low | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.3 | -175.1 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | P1195 V1200 | P1195-V1198 HydrophobicContact CG-CG2 4.35Å; V1198-V1200 HydrophobicContact CG1-CG2 3.93Å |
| 1199 | S | 56.2 | Low | 55.1 | Low | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 111.3 | -168.9 | -46.1 | 0 | 0 | 0 | 0 | 108.9 | V1173 N1419 I1420 | V1173-S1199 PolarHBondContact N-O 2.75Å; S1199-N1419 WeakPolarHBondContact OG-CA 3.24Å; S1199-I1420 WeakPolarHBondContact CB-O 3.45Å; S1199-I1420 PolarHBondContact OG-N 2.76Å; S1199-I1420 VanDerWaalsContact OG-N 3.14Å |
| 1200 | V | 49.6 | Very low | 55.3 | Low | 58 Ų | 58 | 50.7 Ų | 50.7 | 35% | 0.352 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.1 | -169.8 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | V1198 P1421 | V1198-V1200 HydrophobicContact CG1-CG2 3.93Å; V1200-P1421 VanDerWaalsContact O-CA 3.32Å; V1200-P1421 WeakPolarHBondContact O-CA 3.25Å; V1200-P1421 WeakPolarHBondContact O-CB 3.41Å |
| 1201 | I | 49.7 | Very low | 55 | Low | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.3 | 166.5 | -65.7 | -175.2 | 0 | 0 | 0 | 107.6 | V1173 I1174 A1175 S1422 | V1173-I1201 PolarHBondContact O-N 3.49Å; I1174-I1201 HydrophobicContact CB-CB 4.43Å; I1174-I1201 HydrophobicContact CD1-CD1 4.31Å; I1174-I1201 HydrophobicContact CG1-CB 4.21Å; I1174-I1201 HydrophobicContact CG1-CD1 4.2Å; I1174-I1201 HydrophobicContact CG2-CB 4.22Å; I1174-I1201 HydrophobicContact CG2-CG2 3.9Å; A1175-I1201 PolarHBondContact N-O 3.22Å; I1201-S1422 VanDerWaalsContact CG2-CB 3.43Å |
| 1202 | A | 48.3 | Very low | 54.9 | Low | 41 Ų | 41 | 51.2 Ų | 51.2 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 108 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1229 | A1202-A1229 WeakPolarHBondContact O-CA 3.37Å; A1202-A1229 WeakPolarHBondContact O-CB 3.37Å |
| 1203 | D | 54 | Low | 54.5 | Low | 44 Ų | 44 | 57.5 Ų | 57.5 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | | | trans | -113.6 | 86.9 | 175.6 | -70.5 | -33 | 0 | 0 | 0 | 107.7 | D1230 S1422 | D1203-D1230 WeakPolarHBondContact OD1-CB 3.33Å; D1203-D1230 PolarHBondContact OD1-N 3.37Å; D1203-S1422 PolarHBondContact OD2-OG 3.16Å; D1203-S1422 VanDerWaalsContact OD2-OG 3.05Å |
| 1204 | S | 48.9 | Very low | 53.3 | Low | 34 Ų | 34 | 56.1 Ų | 56.1 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | | | trans | -150.7 | 125.3 | -175 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | S1177 S1231 | S1177-S1204 PolarHBondContact N-OG 2.83Å; S1177-S1204 WeakPolarHBondContact O-CB 3.34Å; S1177-S1204 PolarHBondContact O-OG 2.81Å; S1204-S1231 VanDerWaalsContact C-CB 3.4Å; S1204-S1231 WeakPolarHBondContact CA-OG 3.33Å; S1204-S1231 PolarHBondContact N-OG 3.29Å; S1204-S1231 WeakPolarHBondContact O-CB 3.29Å; S1204-S1231 PolarHBondContact O-OG 2.79Å |
| 1205 | I | 51.4 | Low | 52.5 | Low | 47 Ų | 47 | 58.8 Ų | 58.8 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | | | trans | -96.5 | 121.8 | 173.7 | -67.2 | 177.6 | 0 | 0 | 0 | 109.9 | I1178 E1207 S1231 I1232 | I1178-I1205 HydrophobicContact CD1-CB 4.23Å; I1178-I1205 WeakPolarHBondContact CG1-O 3.17Å; I1178-I1205 WeakPolarHBondContact CG2-O 3.31Å; I1205-E1207 HydrophobicContact CG2-CG 4.3Å; I1205-S1231 VanDerWaalsContact CG1-CB 3.44Å; I1205-S1231 WeakPolarHBondContact CG1-OG 3.24Å; I1205-S1231 PolarHBondContact N-OG 3.41Å; I1205-I1232 WeakPolarHBondContact CD1-O 3.45Å; I1205-I1232 WeakPolarHBondContact CG1-O 3.47Å; I1205-I1232 WeakPolarHBondContact CG2-O 3.43Å |
| 1206 | P | 49.4 | Very low | 51.9 | Low | 40 Ų | 40 | 61.1 Ų | 61.1 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | | | trans | -77.7 | 121.7 | 158.8 | 30.2 | -29.8 | 0 | 0 | 0 | 109.7 | P1233 | P1206-P1233 HydrophobicContact CG-CB 4.4Š|
| 1207 | E | 59.6 | Low | 51.8 | Low | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | | | trans | -78.9 | -22 | 176.8 | -76.4 | -155.9 | 179.9 | 0 | 0 | 112.9 | I1205 T1235 | I1205-E1207 HydrophobicContact CG2-CG 4.3Å; E1207-T1235 WeakPolarHBondContact O-CG2 3.42Å; E1207-T1235 PolarHBondContact O-OG1 3.2Å |
| 1208 | T | 57.7 | Low | 51.9 | Low | 41 Ų | 41 | 67.6 Ų | 67.6 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -117 | 150.5 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | E1180 T1181 P1182 V1210 T1235 | E1180-T1208 WeakPolarHBondContact O-CG2 3.36Å; E1180-T1208 PolarHBondContact O-OG1 3.03Å; T1181-T1208 WeakPolarHBondContact CA-OG1 3.2Å; P1182-T1208 WeakPolarHBondContact CD-OG1 3.48Å; T1208-V1210 PolarHBondContact O-N 2.99Å; T1208-T1235 WeakPolarHBondContact CA-OG1 3.23Å |
| 1209 | P | 51.3 | Low | 52.4 | Low | 61 Ų | 61 | 67.3 Ų | 67.3 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | | | trans | -77.9 | 111 | -172.6 | 30.4 | -34.2 | 0 | 0 | 0 | 111.5 | T1235 | P1209-T1235 WeakPolarHBondContact CD-OG1 3.48Š|
| 1210 | V | 52.2 | Low | 53.2 | Low | 33 Ų | 33 | 71.9 Ų | 71.9 | 20% | 0.2 | 43% | 0.425 | C | S | . | . | | | trans | -70.4 | 148.1 | 169.6 | -167.9 | 0 | 0 | 0 | 0 | 109.8 | T1208 E1212 | T1208-V1210 PolarHBondContact O-N 2.99Å; V1210-E1212 HydrophobicContact CG1-CG 3.62Å |
| 1211 | S | 52.3 | Low | 53.8 | Low | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | | | trans | -124 | 91.1 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1212 | E | 52.3 | Low | 54.2 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | | | trans | -98.1 | 128.7 | -176 | -50.9 | -179.3 | -178.8 | 0 | 0 | 112.5 | V1210 V1214 | V1210-E1212 HydrophobicContact CG1-CG 3.62Å; E1212-V1214 HydrophobicContact CB-CG2 3.52Å; E1212-V1214 HydrophobicContact CG-CG2 4.43Å; E1212-V1214 PolarHBondContact O-N 2.85Å; E1212-V1214 WeakPolarHBondContact OE2-CG2 3.42Å |
| 1213 | E | 54 | Low | 54.6 | Low | 169 Ų | 169 | 71.2 Ų | 71.2 | 79% | 0.79 | 42% | 0.423 | S | S | * | . | | | trans | -93.3 | 67.9 | 166.3 | -81.6 | -157 | -171.1 | 0 | 0 | 111.5 | T1215 | E1213-T1215 PolarHBondContact O-N 2.81Š|
| 1214 | V | 46.8 | Very low | 54.5 | Low | 73 Ų | 73 | 69.9 Ų | 69.9 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | | | trans | -72.2 | 90.4 | -173.1 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | E1212 T1216 | E1212-V1214 HydrophobicContact CB-CG2 3.52Å; E1212-V1214 HydrophobicContact CG-CG2 4.43Å; E1212-V1214 PolarHBondContact O-N 2.85Å; E1212-V1214 WeakPolarHBondContact OE2-CG2 3.42Å; V1214-T1216 HydrophobicContact CG1-CG2 3.55Å; V1214-T1216 PolarHBondContact O-N 3.3Å; V1214-T1216 VanDerWaalsContact O-N 3.16Å |
| 1215 | T | 48 | Very low | 54.6 | Low | 119 Ų | 119 | 70.9 Ų | 70.9 | 73% | 0.73 | 42% | 0.421 | S | S | * | . | | | trans | -86.8 | 75.2 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | E1213 | E1213-T1215 PolarHBondContact O-N 2.81Š|
| 1216 | T | 47.6 | Very low | 54.8 | Low | 78 Ų | 78 | 68.8 Ų | 68.8 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | | | trans | -91.3 | 143.9 | -178.1 | 45.6 | 0 | 0 | 0 | 0 | 115.1 | V1214 | V1214-T1216 HydrophobicContact CG1-CG2 3.55Å; V1214-T1216 PolarHBondContact O-N 3.3Å; V1214-T1216 VanDerWaalsContact O-N 3.16Å |
| 1217 | V | 56.3 | Low | 55 | Low | 113 Ų | 113 | 70.7 Ų | 70.7 | 69% | 0.685 | 42% | 0.421 | S | S | * | . | | | trans | -114.2 | 103.3 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | A1219 | V1217-A1219 PolarHBondContact O-N 3.18Š|
| 1218 | P | 56.2 | Low | 54.5 | Low | 78 Ų | 78 | 66.2 Ų | 66.2 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 119.6 | -166.8 | 24.2 | -33.5 | 0 | 0 | 0 | 113.5 | | |
| 1219 | A | 59.5 | Low | 54.1 | Low | 39 Ų | 39 | 66.6 Ų | 66.6 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 150.6 | 160 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1217 | V1217-A1219 PolarHBondContact O-N 3.18Š|
| 1220 | P | 71.7 | Confident | 54.2 | Low | 109 Ų | 109 | 65.7 Ų | 65.7 | 71% | 0.708 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 136.2 | -179.6 | 28.4 | -34.4 | 0 | 0 | 0 | 111.4 | | |
| 1221 | P | 63.2 | Low | 53.9 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 153.1 | -176.6 | 28.7 | -35.5 | 0 | 0 | 0 | 112.7 | | |
| 1222 | P | 57.4 | Low | 53.9 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 21% | 0.208 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 168.5 | 167.5 | 31.2 | -32.7 | 0 | 0 | 0 | 110.7 | P1194 V1225 | P1194-P1222 HydrophobicContact CG-CG 4.28Å; P1222-V1225 HydrophobicContact CG-CG2 4.24Å |
| 1223 | A | 56.4 | Low | 53.6 | Low | 23 Ų | 23 | 61.1 Ų | 61.1 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -80.8 | 155.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S138 | S138-A1223 VanDerWaalsContact OG-CB 3.3Å; S138-A1223 WeakPolarHBondContact OG-CB 3.44Å |
| 1224 | D | 52.4 | Low | 53.8 | Low | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | | | trans | 64.2 | 48.7 | 166.1 | -58.3 | -62.1 | 0 | 0 | 0 | 116 | H136 L137 N1419 | H136-D1224 IonicContact CE1-OD1 2.76Å; H136-D1224 IonicContact CG-OD1 2.6Å; H136-D1224 IonicContact ND1-OD1 3.85Å; H136-D1224 PolarHBondContact ND1-OD1 3.2Å; L137-D1224 WeakPolarHBondContact CA-OD1 3.3Å; L137-D1224 WeakPolarHBondContact CD1-OD2 3.49Å; L137-D1224 PolarHBondContact N-OD1 2.97Å; D1224-N1419 PolarHBondContact O-ND2 3.36Å |
| 1225 | V | 50.3 | Low | 54.2 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | | | trans | -82.2 | 138.2 | 163.1 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | P1222 V1227 | P1222-V1225 HydrophobicContact CG-CG2 4.24Å; V1225-V1227 HydrophobicContact CG1-CG2 3.71Å |
| 1226 | S | 56.2 | Low | 54.5 | Low | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.4 | 157 | 48.7 | 0 | 0 | 0 | 0 | 111 | N135 N1419 P1421 | N135-S1226 VanDerWaalsContact ND2-CB 3.3Å; N135-S1226 WeakPolarHBondContact ND2-CB 3.42Å; N135-S1226 PolarHBondContact ND2-OG 3.07Å; N135-S1226 VanDerWaalsContact ND2-OG 3.07Å; S1226-N1419 PolarHBondContact OG-OD1 3.36Å; S1226-P1421 WeakPolarHBondContact O-CB 3.25Å; S1226-P1421 WeakPolarHBondContact O-CD 3.16Å; S1226-P1421 WeakPolarHBondContact O-CG 3.26Å; S1226-P1421 VanDerWaalsContact OG-CD 3.24Å; S1226-P1421 WeakPolarHBondContact OG-CD 3.46Å |
| 1227 | V | 53.5 | Low | 54.7 | Low | 80 Ų | 80 | 53.5 Ų | 53.5 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.6 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | V1225 | V1225-V1227 HydrophobicContact CG1-CG2 3.71Å |
| 1228 | I | 50.4 | Low | 54.5 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 137.6 | 172.4 | -46.4 | 168.2 | 0 | 0 | 0 | 105.5 | I1255 P1421 S1422 N1423 | I1228-I1255 HydrophobicContact CG2-CB 4.04Å; I1228-I1255 VanDerWaalsContact CG2-O 3.23Å; I1228-I1255 WeakPolarHBondContact CG2-O 3.24Å; I1228-P1421 HydrophobicContact CB-CB 4.29Å; I1228-P1421 HydrophobicContact CB-CG 4.04Å; I1228-P1421 HydrophobicContact CD1-CG 3.82Å; I1228-P1421 HydrophobicContact CG1-CB 4.38Å; I1228-P1421 HydrophobicContact CG1-CG 3.6Å; I1228-S1422 CarbonylContact C-O 3.57Å; I1228-S1422 WeakPolarHBondContact CB-O 3.46Å; I1228-S1422 WeakPolarHBondContact CG2-O 3.33Å; I1228-S1422 VanDerWaalsContact O-O 3.07Å; I1228-N1423 HydrophobicContact CD1-CB 4.19Å; I1228-N1423 VanDerWaalsContact CD1-ND2 3.33Å; I1228-N1423 WeakPolarHBondContact CD1-ND2 3.46Å; I1228-N1423 HydrophobicContact CG2-CB 4.4Å |
| 1229 | A | 48.7 | Very low | 54.2 | Low | 50 Ų | 50 | 54.7 Ų | 54.7 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | | | trans | -156.1 | 138.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1202 | A1202-A1229 WeakPolarHBondContact O-CA 3.37Å; A1202-A1229 WeakPolarHBondContact O-CB 3.37Å |
| 1230 | D | 52.4 | Low | 53.9 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | | | trans | -116.7 | 66 | -164.3 | -59.2 | -32.3 | 0 | 0 | 0 | 113.3 | D1203 N1423 R1424 N1425 | D1203-D1230 WeakPolarHBondContact OD1-CB 3.33Å; D1203-D1230 PolarHBondContact OD1-N 3.37Å; D1230-N1423 VanDerWaalsContact OD2-C 3.27Å; D1230-R1424 WeakPolarHBondContact OD1-CA 3.2Å; D1230-R1424 PolarHBondContact OD1-N 3.42Å; D1230-R1424 VanDerWaalsContact OD2-C 3.23Å; D1230-R1424 WeakPolarHBondContact OD2-CA 3.23Å; D1230-R1424 PolarHBondContact OD2-N 3.08Å; D1230-N1425 PolarHBondContact OD1-N 3.34Å |
| 1231 | S | 47 | Very low | 52.7 | Low | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | | | trans | -150.6 | 140.1 | -171.1 | -74 | 0 | 0 | 0 | 0 | 115.1 | S1204 I1205 | S1204-S1231 VanDerWaalsContact C-CB 3.4Å; S1204-S1231 WeakPolarHBondContact CA-OG 3.33Å; S1204-S1231 PolarHBondContact N-OG 3.29Å; S1204-S1231 WeakPolarHBondContact O-CB 3.29Å; S1204-S1231 PolarHBondContact O-OG 2.79Å; I1205-S1231 VanDerWaalsContact CG1-CB 3.44Å; I1205-S1231 WeakPolarHBondContact CG1-OG 3.24Å; I1205-S1231 PolarHBondContact N-OG 3.41Å |
| 1232 | I | 51 | Low | 51.9 | Low | 32 Ų | 32 | 62.5 Ų | 62.5 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | | | trans | -114.4 | 125.7 | 176.4 | -40.1 | 163.1 | 0 | 0 | 0 | 108.9 | I1205 E1234 S1258 P1260 | I1205-I1232 WeakPolarHBondContact CD1-O 3.45Å; I1205-I1232 WeakPolarHBondContact CG1-O 3.47Å; I1205-I1232 WeakPolarHBondContact CG2-O 3.43Å; I1232-E1234 PolarHBondContact O-N 3.46Å; I1232-S1258 VanDerWaalsContact CG1-CB 3.48Å; I1232-P1260 HydrophobicContact CG2-CB 4.13Å |
| 1233 | P | 47.1 | Very low | 51.5 | Low | 52 Ų | 52 | 65.6 Ų | 65.6 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | | | trans | -69.7 | 124.2 | 163 | 28.7 | -32.2 | 0 | 0 | 0 | 110.3 | P1206 T1235 | P1206-P1233 HydrophobicContact CG-CB 4.4Å; P1233-T1235 VanDerWaalsContact C-N 3.26Å; P1233-T1235 PolarHBondContact O-N 3.06Å |
| 1234 | E | 57.1 | Low | 51.5 | Low | 138 Ų | 138 | 69.9 Ų | 69.9 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -78.3 | -5.6 | 176 | -76.6 | -149.8 | 173.8 | 0 | 0 | 113.6 | I1232 T1262 | I1232-E1234 PolarHBondContact O-N 3.46Å; E1234-T1262 WeakPolarHBondContact O-CG2 3.2Å; E1234-T1262 PolarHBondContact O-OG1 3.2Å |
| 1235 | T | 56.8 | Low | 51.7 | Low | 43 Ų | 43 | 73.8 Ų | 73.8 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -128.1 | 148.5 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | E1207 T1208 P1209 P1233 V1237 | E1207-T1235 WeakPolarHBondContact O-CG2 3.42Å; E1207-T1235 PolarHBondContact O-OG1 3.2Å; T1208-T1235 WeakPolarHBondContact CA-OG1 3.23Å; P1209-T1235 WeakPolarHBondContact CD-OG1 3.48Å; P1233-T1235 VanDerWaalsContact C-N 3.26Å; P1233-T1235 PolarHBondContact O-N 3.06Å; T1235-V1237 PolarHBondContact O-N 3.43Å |
| 1236 | P | 52.7 | Low | 52.1 | Low | 61 Ų | 61 | 73.7 Ų | 73.7 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | | | trans | -76.9 | 112.5 | -175.7 | 29.7 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 1237 | V | 51.5 | Low | 52.8 | Low | 37 Ų | 37 | 78 Ų | 78 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | | | trans | -67.4 | 146 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | T1235 E1239 | T1235-V1237 PolarHBondContact O-N 3.43Å; V1237-E1239 HydrophobicContact CG1-CG 3.98Å |
| 1238 | S | 52.1 | Low | 53.2 | Low | 85 Ų | 85 | 78.1 Ų | 78.1 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | | | trans | -116.1 | 89.5 | 175.3 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1239 | E | 51.4 | Low | 53.4 | Low | 132 Ų | 132 | 80 Ų | 80 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | | | trans | -94.8 | 118.2 | -174.2 | -100.3 | 172.5 | -120.4 | 0 | 0 | 113.2 | V1237 V1241 | V1237-E1239 HydrophobicContact CG1-CG 3.98Å; E1239-V1241 HydrophobicContact CB-CG2 3.9Å; E1239-V1241 HydrophobicContact CG-CG2 3.9Å; E1239-V1241 PolarHBondContact O-N 3.2Å; E1239-V1241 VanDerWaalsContact OE2-CG2 3.26Å; E1239-V1241 WeakPolarHBondContact OE2-CG2 3.24Å |
| 1240 | E | 52.8 | Low | 53.7 | Low | 179 Ų | 179 | 79.3 Ų | 79.3 | 84% | 0.836 | 47% | 0.473 | S | S | * | . | | | trans | -91.3 | 60.7 | 165.9 | -81.8 | -150.2 | 170.7 | 0 | 0 | 111.9 | T1242 | E1240-T1242 PolarHBondContact O-N 2.93Å; E1240-T1242 VanDerWaalsContact O-N 3.07Å |
| 1241 | V | 46 | Very low | 53.6 | Low | 79 Ų | 79 | 81.4 Ų | 81.4 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | | | trans | -73.4 | 102 | -174.2 | 171.3 | 0 | 0 | 0 | 0 | 113.2 | E1239 T1243 | E1239-V1241 HydrophobicContact CB-CG2 3.9Å; E1239-V1241 HydrophobicContact CG-CG2 3.9Å; E1239-V1241 PolarHBondContact O-N 3.2Å; E1239-V1241 VanDerWaalsContact OE2-CG2 3.26Å; E1239-V1241 WeakPolarHBondContact OE2-CG2 3.24Å; V1241-T1243 HydrophobicContact CG1-CG2 3.49Å; V1241-T1243 VanDerWaalsContact CG1-CG2 3.49Å; V1241-T1243 PolarHBondContact O-N 3.19Å |
| 1242 | T | 47.7 | Very low | 53.7 | Low | 125 Ų | 125 | 83.2 Ų | 83.2 | 77% | 0.767 | 49% | 0.493 | S | S | * | . | | | trans | -93.5 | 74.3 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | E1240 | E1240-T1242 PolarHBondContact O-N 2.93Å; E1240-T1242 VanDerWaalsContact O-N 3.07Å |
| 1243 | T | 48 | Very low | 53.9 | Low | 97 Ų | 97 | 83.2 Ų | 83.2 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | | | trans | -89.9 | 148.4 | -177.2 | 45.2 | 0 | 0 | 0 | 0 | 115.3 | V1241 | V1241-T1243 HydrophobicContact CG1-CG2 3.49Å; V1241-T1243 VanDerWaalsContact CG1-CG2 3.49Å; V1241-T1243 PolarHBondContact O-N 3.19Å |
| 1244 | V | 56.3 | Low | 54.3 | Low | 112 Ų | 112 | 86 Ų | 86 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | | | trans | -114.7 | 117 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 109 | A1246 | V1244-A1246 PolarHBondContact O-N 2.73Š|
| 1245 | P | 56.7 | Low | 54 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -72 | 120.1 | -166.4 | 25.6 | -34.4 | 0 | 0 | 0 | 113.6 | | |
| 1246 | A | 58.3 | Low | 53.6 | Low | 53 Ų | 53 | 81.5 Ų | 81.5 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 154.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1244 | V1244-A1246 PolarHBondContact O-N 2.73Š|
| 1247 | P | 70.6 | Confident | 53.6 | Low | 94 Ų | 94 | 79.8 Ų | 79.8 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 139.9 | 178.8 | 29 | -34.7 | 0 | 0 | 0 | 111.7 | | |
| 1248 | P | 62 | Low | 53.2 | Low | 82 Ų | 82 | 79.9 Ų | 79.9 | 53% | 0.532 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 146.1 | -176.7 | 28.2 | -35.3 | 0 | 0 | 0 | 112.5 | | |
| 1249 | P | 55.4 | Low | 53 | Low | 44 Ų | 44 | 77.1 Ų | 77.1 | 29% | 0.286 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 156.6 | 163.9 | 31.6 | -34.3 | 0 | 0 | 0 | 110.4 | V1252 | P1249-V1252 HydrophobicContact CG-CG2 4.34Š|
| 1250 | A | 55.1 | Low | 52.6 | Low | 35 Ų | 35 | 73.9 Ų | 73.9 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -85.3 | 143.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L137 | L137-A1250 PolarHBondContact N-O 3.28Š|
| 1251 | D | 50.1 | Low | 52.6 | Low | 86 Ų | 86 | 70.3 Ų | 70.3 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | | | trans | 63.3 | 66.6 | 173 | -47 | -74.3 | 0 | 0 | 0 | 116.5 | H136 L137 | H136-D1251 PolarHBondContact N-O 3.13Å; H136-D1251 VanDerWaalsContact N-O 3.13Å; L137-D1251 PolarHBondContact N-OD2 3.01Å |
| 1252 | V | 50 | Low | 52.9 | Low | 84 Ų | 84 | 68.7 Ų | 68.7 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | | | trans | -84.9 | 143.8 | 167.5 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | P1249 V1254 | P1249-V1252 HydrophobicContact CG-CG2 4.34Å; V1252-V1254 HydrophobicContact CG1-CG2 4.06Å |
| 1253 | S | 55.4 | Low | 53.1 | Low | 32 Ų | 32 | 66.1 Ų | 66.1 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | | | trans | -129.8 | 98.9 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | N135 | N135-S1253 PolarHBondContact N-OG 3.08Š|
| 1254 | V | 54.4 | Low | 53.2 | Low | 111 Ų | 111 | 64 Ų | 64 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | | | trans | -91.1 | 137.9 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | V1252 A1256 | V1252-V1254 HydrophobicContact CG1-CG2 4.06Å; V1254-A1256 HydrophobicContact CG1-CB 4.5Å |
| 1255 | I | 50.2 | Low | 53 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | | | trans | -129.7 | 104.2 | 172 | -72.9 | 171.7 | 0 | 0 | 0 | 106.4 | I1228 N1423 R1424 N1425 | I1228-I1255 HydrophobicContact CG2-CB 4.04Å; I1228-I1255 VanDerWaalsContact CG2-O 3.23Å; I1228-I1255 WeakPolarHBondContact CG2-O 3.24Å; I1255-N1423 VanDerWaalsContact CD1-ND2 3.34Å; I1255-N1423 WeakPolarHBondContact CD1-ND2 3.5Å; I1255-R1424 HydrophobicContact CG2-CG 4.32Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.33Å |
| 1256 | A | 50.1 | Low | 52.6 | Low | 51 Ų | 51 | 65.9 Ų | 65.9 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | | | trans | -141.5 | 125.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V1254 | V1254-A1256 HydrophobicContact CG1-CB 4.5Š|
| 1257 | D | 50.6 | Low | 52.2 | Low | 26 Ų | 26 | 72.5 Ų | 72.5 | 14% | 0.139 | 43% | 0.428 | C | S | . | . | | | trans | -115.3 | -177 | 145.4 | -57.3 | -70.7 | 0 | 0 | 0 | 105.9 | A1283 D1284 N1425 I1426 | D1257-A1283 WeakPolarHBondContact OD1-CA 3.23Å; D1257-D1284 PolarHBondContact OD1-N 3.21Å; D1257-N1425 HydrophobicContact CB-CB 3.73Å; D1257-N1425 PolarHBondContact N-OD1 2.84Å; D1257-N1425 WeakPolarHBondContact O-CA 3.47Å; D1257-N1425 WeakPolarHBondContact OD2-CB 3.43Å; D1257-N1425 PolarHBondContact OD2-ND2 3.36Å; D1257-I1426 HydrophobicContact CB-CG1 3.85Å; D1257-I1426 PolarHBondContact O-N 3.04Å |
| 1258 | S | 44.9 | Very low | 51.1 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | | | trans | 94.9 | 138 | -166.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | I1232 I1426 N1427 | I1232-S1258 VanDerWaalsContact CG1-CB 3.48Å; S1258-I1426 PolarHBondContact OG-N 3.02Å; S1258-N1427 PolarHBondContact OG-N 2.77Å |
| 1259 | I | 47.7 | Very low | 50.3 | Low | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.138 | 44% | 0.439 | C | S | . | . | | | trans | -137.6 | 125.7 | -153.6 | -53.8 | 156 | 0 | 0 | 0 | 108.1 | E1261 S1285 P1287 N1427 | I1259-E1261 PolarHBondContact O-N 2.76Å; I1259-S1285 WeakPolarHBondContact CD1-O 3.43Å; I1259-P1287 HydrophobicContact CG2-CB 3.84Å; I1259-N1427 HydrophobicContact CD1-CB 4.22Å; I1259-N1427 WeakPolarHBondContact CD1-OD1 3.46Å |
| 1260 | P | 43.3 | Very low | 49.9 | Very low | 63 Ų | 63 | 77.7 Ų | 77.7 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | | | trans | -65.2 | 122.6 | 173.7 | 26.5 | -32.9 | 0 | 0 | 0 | 110.8 | I1232 T1262 | I1232-P1260 HydrophobicContact CG2-CB 4.13Å; P1260-T1262 PolarHBondContact O-N 3.32Å |
| 1261 | E | 52.3 | Low | 49.9 | Very low | 104 Ų | 104 | 81.7 Ų | 81.7 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -75.6 | -4.8 | 172.8 | -75.2 | -157.3 | -168.6 | 0 | 0 | 112.7 | I1259 H1429 I1430 | I1259-E1261 PolarHBondContact O-N 2.76Å; E1261-H1429 WeakPolarHBondContact OE1-CA 3.48Å; E1261-H1429 PolarHBondContact OE1-N 2.71Å; E1261-I1430 PolarHBondContact OE1-N 3.27Å |
| 1262 | T | 52.7 | Low | 50.2 | Low | 45 Ų | 45 | 83 Ų | 83 | 28% | 0.276 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -120.9 | 138.6 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | E1234 P1260 V1264 | E1234-T1262 WeakPolarHBondContact O-CG2 3.2Å; E1234-T1262 PolarHBondContact O-OG1 3.2Å; P1260-T1262 PolarHBondContact O-N 3.32Å; T1262-V1264 PolarHBondContact O-N 3.47Å |
| 1263 | P | 51.5 | Low | 50.4 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | | | trans | -74.4 | 123.7 | 177.7 | 30.3 | -33.9 | 0 | 0 | 0 | 112 | | |
| 1264 | V | 49.6 | Very low | 51.1 | Low | 53 Ų | 53 | 86 Ų | 86 | 32% | 0.321 | 52% | 0.516 | S | S | . | . | | | trans | -80.6 | 150.1 | 168.6 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | T1262 E1266 | T1262-V1264 PolarHBondContact O-N 3.47Å; V1264-E1266 HydrophobicContact CG1-CG 3.77Å |
| 1265 | S | 51.1 | Low | 51.4 | Low | 103 Ų | 103 | 86 Ų | 86 | 72% | 0.72 | 52% | 0.518 | S | S | * | . | | | trans | -120.3 | 88.5 | 175.7 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1266 | E | 49.8 | Very low | 51.5 | Low | 146 Ų | 146 | 87.9 Ų | 87.9 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | | | trans | -93.6 | 131.4 | -178.7 | -50.8 | 177.7 | 171.9 | 0 | 0 | 112.3 | V1264 V1268 | V1264-E1266 HydrophobicContact CG1-CG 3.77Å; E1266-V1268 HydrophobicContact CB-CG2 3.54Å; E1266-V1268 HydrophobicContact CG-CG2 4.4Å; E1266-V1268 PolarHBondContact O-N 3.06Å; E1266-V1268 WeakPolarHBondContact OE2-CG2 3.49Å |
| 1267 | E | 50.1 | Low | 51.7 | Low | 192 Ų | 192 | 89 Ų | 89 | 90% | 0.897 | 54% | 0.542 | S | S | * | . | | | trans | -93.3 | 62.6 | 166.8 | -76.8 | -153.2 | 175.5 | 0 | 0 | 111.9 | T1269 | E1267-T1269 PolarHBondContact O-N 2.96Å; E1267-T1269 VanDerWaalsContact O-N 3.09Å |
| 1268 | V | 45.7 | Very low | 51.5 | Low | 86 Ų | 86 | 94.6 Ų | 94.6 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | | | trans | -68.6 | 105.9 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 113.2 | E1266 T1270 | E1266-V1268 HydrophobicContact CB-CG2 3.54Å; E1266-V1268 HydrophobicContact CG-CG2 4.4Å; E1266-V1268 PolarHBondContact O-N 3.06Å; E1266-V1268 WeakPolarHBondContact OE2-CG2 3.49Å; V1268-T1270 HydrophobicContact CG1-CG2 3.4Å; V1268-T1270 PolarHBondContact O-N 3.21Å |
| 1269 | T | 46.2 | Very low | 51.6 | Low | 140 Ų | 140 | 97.6 Ų | 97.6 | 86% | 0.859 | 59% | 0.588 | S | S | * | * | | | trans | -98 | 74.4 | 175.3 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | E1267 | E1267-T1269 PolarHBondContact O-N 2.96Å; E1267-T1269 VanDerWaalsContact O-N 3.09Å |
| 1270 | T | 47.4 | Very low | 51.7 | Low | 103 Ų | 103 | 101.2 Ų | 101.2 | 63% | 0.632 | 62% | 0.615 | S | S | * | * | | | trans | -95.6 | 153.9 | -175.2 | 44.2 | 0 | 0 | 0 | 0 | 115.1 | V1268 | V1268-T1270 HydrophobicContact CG1-CG2 3.4Å; V1268-T1270 PolarHBondContact O-N 3.21Å |
| 1271 | V | 54.3 | Low | 52.1 | Low | 120 Ų | 120 | 103.7 Ų | 103.7 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | | | trans | -119.6 | 122.7 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | A1273 | V1271-A1273 PolarHBondContact O-N 3.18Š|
| 1272 | P | 55.8 | Low | 51.7 | Low | 113 Ų | 113 | 104 Ų | 104 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -73 | 124.3 | -166 | 26.3 | -34.9 | 0 | 0 | 0 | 114.1 | | |
| 1273 | A | 55.7 | Low | 51.4 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 56% | 0.562 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 157.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111 | V1271 | V1271-A1273 PolarHBondContact O-N 3.18Š|
| 1274 | P | 69.2 | Low | 51.2 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 143.3 | 179.7 | 29.6 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 1275 | P | 61.7 | Low | 50.7 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.9 | -177.7 | 29.1 | -35.3 | 0 | 0 | 0 | 112.7 | | |
| 1276 | P | 51.9 | Low | 50.3 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 169.5 | 167.3 | 31.9 | -34.8 | 0 | 0 | 0 | 111.7 | V1279 | P1276-V1279 HydrophobicContact CG-CG2 4.16Š|
| 1277 | A | 54.2 | Low | 49.7 | Very low | 74 Ų | 74 | 104.2 Ų | 104.2 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.8 | 155.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1279 | A1277-V1279 VanDerWaalsContact C-N 3.33Å; A1277-V1279 PolarHBondContact O-N 3.42Å; A1277-V1279 VanDerWaalsContact O-N 3.12Å |
| 1278 | D | 46.6 | Very low | 49.4 | Very low | 143 Ų | 143 | 102.2 Ų | 102.2 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | | | trans | 53.3 | 31.5 | 161.1 | -58.1 | -7.1 | 0 | 0 | 0 | 118 | S1280 | D1278-S1280 PolarHBondContact O-N 2.91Š|
| 1279 | V | 46.1 | Very low | 49.4 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 62% | 0.618 | 63% | 0.625 | S | S | * | * | | | trans | -66.4 | 122 | 166 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | P1276 A1277 V1281 | P1276-V1279 HydrophobicContact CG-CG2 4.16Å; A1277-V1279 VanDerWaalsContact C-N 3.33Å; A1277-V1279 PolarHBondContact O-N 3.42Å; A1277-V1279 VanDerWaalsContact O-N 3.12Å; V1279-V1281 HydrophobicContact CG1-CG2 3.94Å |
| 1280 | S | 50.8 | Low | 49.4 | Very low | 103 Ų | 103 | 98.2 Ų | 98.2 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | | | trans | -119.1 | 83.9 | 179.9 | 32 | 0 | 0 | 0 | 0 | 111.3 | D1278 | D1278-S1280 PolarHBondContact O-N 2.91Š|
| 1281 | V | 51 | Low | 49.3 | Very low | 116 Ų | 116 | 96.5 Ų | 96.5 | 70% | 0.703 | 60% | 0.597 | S | S | * | * | | | trans | -75.7 | 130.6 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | V1279 | V1279-V1281 HydrophobicContact CG1-CG2 3.94Š|
| 1282 | I | 44.9 | Very low | 49.2 | Very low | 111 Ų | 111 | 95.8 Ų | 95.8 | 57% | 0.569 | 60% | 0.598 | S | S | * | * | | | trans | -130.9 | 102.7 | 163.8 | -55.6 | 179.5 | 0 | 0 | 0 | 106.3 | V1308 | I1282-V1308 HydrophobicContact CD1-CG1 4.08Å; I1282-V1308 HydrophobicContact CG1-CG1 4.16Å |
| 1283 | A | 44.9 | Very low | 48.8 | Very low | 62 Ų | 62 | 97.3 Ų | 97.3 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | | | trans | -124.5 | 124 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107 | D1257 | D1257-A1283 WeakPolarHBondContact OD1-CA 3.23Š|
| 1284 | D | 48.1 | Very low | 48.5 | Very low | 88 Ų | 88 | 103.4 Ų | 103.4 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | | | trans | -111.7 | 117.5 | -165.2 | -128.2 | -10.2 | 0 | 0 | 0 | 111.4 | D1257 N1427 | D1257-D1284 PolarHBondContact OD1-N 3.21Å; D1284-N1427 PolarHBondContact O-ND2 3.5Å |
| 1285 | S | 40.1 | Very low | 47.4 | Very low | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 60% | 0.601 | S | S | . | * | S | Bend | trans | 89.6 | 79.8 | 174.9 | -39 | 0 | 0 | 0 | 0 | 118.7 | I1259 | I1259-S1285 WeakPolarHBondContact CD1-O 3.43Š|
| 1286 | I | 42.6 | Very low | 46.6 | Very low | 131 Ų | 131 | 103.6 Ų | 103.6 | 67% | 0.672 | 61% | 0.609 | S | S | * | * | | | | 41.3 | 115.3 | 122.3 | -51.5 | 161.6 | 0 | 0 | 0 | 117.9 | | |
| 1287 | P | 36 | Very low | 46.4 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | | | trans | -71.8 | 138.8 | 165.5 | 29.8 | -33.6 | 0 | 0 | 0 | 112.6 | I1259 | I1259-P1287 HydrophobicContact CG2-CB 3.84Š|
| 1288 | E | 44.9 | Very low | 46.2 | Very low | 150 Ų | 150 | 108 Ų | 108 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -82.8 | -8.3 | 175.3 | -72.7 | -166 | -172.1 | 0 | 0 | 114.1 | H1429 | E1288-H1429 WeakPolarHBondContact CB-NE2 3.42Å; E1288-H1429 WeakPolarHBondContact CG-NE2 3.38Å; E1288-H1429 IonicContact OE1-CE1 3.55Å; E1288-H1429 PolarHBondContact OE1-CE1 3.05Å; E1288-H1429 IonicContact OE1-NE2 2.81Å; E1288-H1429 IonicContact OE2-CE1 3.92Å; E1288-H1429 IonicContact OE2-NE2 3.35Å |
| 1289 | T | 45.8 | Very low | 46.7 | Very low | 66 Ų | 66 | 107.4 Ų | 107.4 | 41% | 0.405 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -107.6 | 130.9 | -178.1 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | V1291 | T1289-V1291 PolarHBondContact O-N 3.01Š|
| 1290 | P | 45.8 | Very low | 47.1 | Very low | 76 Ų | 76 | 106.4 Ų | 106.4 | 49% | 0.494 | 63% | 0.633 | S | S | . | * | | | trans | -75.6 | 122.6 | -178.1 | 30.1 | -34.1 | 0 | 0 | 0 | 112 | V1318 | P1290-V1318 HydrophobicContact CB-CG1 4.28Š|
| 1291 | V | 44.4 | Very low | 48 | Very low | 66 Ų | 66 | 107.2 Ų | 107.2 | 40% | 0.4 | 64% | 0.636 | S | S | . | * | | | trans | -73.6 | 143.4 | 167 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | T1289 E1293 | T1289-V1291 PolarHBondContact O-N 3.01Å; V1291-E1293 HydrophobicContact CG1-CG 4.13Å |
| 1292 | S | 51.9 | Low | 48.6 | Very low | 106 Ų | 106 | 107.5 Ų | 107.5 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | | | trans | -107.4 | 78.7 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1293 | E | 48.1 | Very low | 48.9 | Very low | 145 Ų | 145 | 107.9 Ų | 107.9 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | | | trans | -80.2 | 119.8 | 178.7 | -91.5 | 178.5 | -151.8 | 0 | 0 | 113.1 | V1291 V1295 | V1291-E1293 HydrophobicContact CG1-CG 4.13Å; E1293-V1295 VanDerWaalsContact C-N 3.28Å; E1293-V1295 HydrophobicContact CB-CG2 3.88Å; E1293-V1295 HydrophobicContact CG-CG2 3.89Å; E1293-V1295 PolarHBondContact O-N 3.08Å; E1293-V1295 VanDerWaalsContact OE2-CG2 3.27Å; E1293-V1295 WeakPolarHBondContact OE2-CG2 3.49Å |
| 1294 | E | 50.5 | Low | 49.3 | Very low | 196 Ų | 196 | 109.1 Ų | 109.1 | 92% | 0.916 | 66% | 0.66 | S | S | * | * | | | trans | -89.9 | 52.7 | 162.8 | -78.5 | -141.6 | 134.3 | 0 | 0 | 111.9 | T1296 | E1294-T1296 PolarHBondContact O-N 3.38Å; E1294-T1296 VanDerWaalsContact O-N 3.1Å |
| 1295 | V | 44.7 | Very low | 49.2 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | | | trans | -69.3 | 108.8 | -175.7 | 166.4 | 0 | 0 | 0 | 0 | 112.7 | E1293 T1297 | E1293-V1295 VanDerWaalsContact C-N 3.28Å; E1293-V1295 HydrophobicContact CB-CG2 3.88Å; E1293-V1295 HydrophobicContact CG-CG2 3.89Å; E1293-V1295 PolarHBondContact O-N 3.08Å; E1293-V1295 VanDerWaalsContact OE2-CG2 3.27Å; E1293-V1295 WeakPolarHBondContact OE2-CG2 3.49Å; V1295-T1297 HydrophobicContact CG1-CG2 3.45Å; V1295-T1297 VanDerWaalsContact CG1-CG2 3.45Å; V1295-T1297 PolarHBondContact O-N 3.43Å |
| 1296 | T | 46.4 | Very low | 49.4 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | | | trans | -95.3 | 76.2 | 177.9 | -60 | 0 | 0 | 0 | 0 | 111.5 | E1294 | E1294-T1296 PolarHBondContact O-N 3.38Å; E1294-T1296 VanDerWaalsContact O-N 3.1Å |
| 1297 | T | 46.3 | Very low | 49.5 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | | | trans | -104 | 157.9 | -176.5 | 47.5 | 0 | 0 | 0 | 0 | 115.3 | V1295 | V1295-T1297 HydrophobicContact CG1-CG2 3.45Å; V1295-T1297 VanDerWaalsContact CG1-CG2 3.45Å; V1295-T1297 PolarHBondContact O-N 3.43Å |
| 1298 | V | 50.2 | Low | 49.9 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | | | trans | -114.4 | 128 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | A1300 | V1298-A1300 PolarHBondContact O-N 3.08Š|
| 1299 | P | 57.5 | Low | 49.8 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 84% | 0.844 | 70% | 0.699 | S | S | * | * | | | trans | -72.1 | 129.6 | -164.6 | 25.9 | -35.3 | 0 | 0 | 0 | 114.6 | | |
| 1300 | A | 54.5 | Low | 49.1 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | | | trans | -109.2 | 156 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | V1298 | V1298-A1300 PolarHBondContact O-N 3.08Š|
| 1301 | P | 69.1 | Low | 48.8 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | -79.6 | 146.4 | -173.3 | 31.5 | -35.4 | 0 | 0 | 0 | 113.8 | | |
| 1302 | P | 64.7 | Low | 48.1 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | trans | -80.2 | 146.6 | -173.9 | 31.5 | -36.2 | 0 | 0 | 0 | 114.5 | | |
| 1303 | P | 49.4 | Very low | 47.5 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | trans | -79.6 | -175.7 | 166.1 | 35 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 1304 | A | 54.7 | Low | 46.9 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | | | trans | -131 | 143.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1305 | D | 46.5 | Very low | 46.2 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | | | trans | 43.9 | 71.2 | 153.6 | -61 | -4.2 | 0 | 0 | 0 | 119.5 | | |
| 1306 | V | 42.4 | Very low | 45.9 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | trans | -128.8 | 146.3 | 148.4 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1307 | S | 46 | Very low | 45.9 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | -139 | 116.9 | -161.9 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1308 | V | 43.5 | Very low | 45.6 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 58% | 0.576 | 74% | 0.736 | S | S | * | * | | | trans | -144.6 | 122.1 | 167.4 | 178.5 | 0 | 0 | 0 | 0 | 103.9 | I1282 | I1282-V1308 HydrophobicContact CD1-CG1 4.08Å; I1282-V1308 HydrophobicContact CG1-CG1 4.16Å |
| 1309 | I | 42.9 | Very low | 45.2 | Very low | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | cis | 70.7 | 79.3 | 38.7 | -45.9 | 170.6 | 0 | 0 | 0 | 110.5 | | |
| 1310 | A | 32.3 | Very low | 44.6 | Very low | 64 Ų | 64 | 118 Ų | 118 | 53% | 0.529 | 73% | 0.725 | S | S | . | * | | | | -104.3 | 158.6 | 71.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1311 | D | 39.6 | Very low | 44.1 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | | | trans | -76.7 | 131 | 179 | -77 | -66.8 | 0 | 0 | 0 | 112.3 | | |
| 1312 | S | 29.6 | Very low | 42.7 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | | | trans | -67.6 | 127 | -179.9 | -34.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1313 | I | 39.5 | Very low | 41.6 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | trans | -135.7 | -143.7 | 146 | -28.1 | 172 | 0 | 0 | 0 | 109.7 | | |
| 1314 | P | 34.5 | Very low | 41.1 | Very low | 97 Ų | 97 | 121 Ų | 121 | 63% | 0.63 | 72% | 0.715 | S | S | * | * | | | | -80.9 | 134.7 | -114.4 | 4.4 | 18.5 | 0 | 0 | 0 | 112.6 | | |
| 1315 | E | 34.8 | Very low | 40.7 | Very low | 157 Ų | 157 | 123.6 Ų | 123.6 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | | 61.1 | 96.1 | 85.8 | -61.1 | 178 | -176.7 | 0 | 0 | 114.4 | | |
| 1316 | T | 40.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | | -139.8 | 157.8 | 99.5 | 16.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1317 | P | 44.9 | Very low | 41 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | trans | -85.1 | 123.3 | -157.4 | 31 | -34.8 | 0 | 0 | 0 | 114.5 | | |
| 1318 | V | 41 | Very low | 41.6 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | | | trans | -64.4 | 149 | 170.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | P1290 E1320 | P1290-V1318 HydrophobicContact CB-CG1 4.28Å; V1318-E1320 HydrophobicContact CG1-CB 4.19Å; V1318-E1320 HydrophobicContact CG1-CG 3.66Å |
| 1319 | S | 42 | Very low | 41.8 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | | | trans | -118 | 53 | 174.7 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1320 | E | 45.1 | Very low | 41.5 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | | | trans | -69 | 130.5 | 165.1 | -76.5 | 169 | -178.2 | 0 | 0 | 109.9 | V1318 V1322 | V1318-E1320 HydrophobicContact CG1-CB 4.19Å; V1318-E1320 HydrophobicContact CG1-CG 3.66Å; E1320-V1322 HydrophobicContact CB-CG2 3.51Å; E1320-V1322 HydrophobicContact CG-CG2 4.32Å; E1320-V1322 PolarHBondContact O-N 3.38Å; E1320-V1322 VanDerWaalsContact O-N 3.07Å; E1320-V1322 WeakPolarHBondContact OE2-CG2 3.12Å |
| 1321 | E | 43 | Very low | 41.5 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | -84.6 | 55.2 | 169.2 | -165.2 | 164.5 | -165.1 | 0 | 0 | 110.5 | T1323 | E1321-T1323 PolarHBondContact O-N 2.66Å; E1321-T1323 PolarHBondContact O-OG1 3.26Å |
| 1322 | V | 40.7 | Very low | 41.2 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 52% | 0.515 | 76% | 0.756 | S | S | . | * | | | trans | -62.3 | 102.4 | -179.4 | -161.4 | 0 | 0 | 0 | 0 | 109.5 | E1320 T1324 | E1320-V1322 HydrophobicContact CB-CG2 3.51Å; E1320-V1322 HydrophobicContact CG-CG2 4.32Å; E1320-V1322 PolarHBondContact O-N 3.38Å; E1320-V1322 VanDerWaalsContact O-N 3.07Å; E1320-V1322 WeakPolarHBondContact OE2-CG2 3.12Å; V1322-T1324 HydrophobicContact CB-CG2 4.17Å; V1322-T1324 HydrophobicContact CG1-CG2 3.59Å; V1322-T1324 PolarHBondContact O-N 3.1Å; V1322-T1324 PolarHBondContact O-OG1 3.18Å |
| 1323 | T | 41.5 | Very low | 41.3 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -75.8 | 66.9 | -179.8 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | E1321 | E1321-T1323 PolarHBondContact O-N 2.66Å; E1321-T1323 PolarHBondContact O-OG1 3.26Å |
| 1324 | T | 38.4 | Very low | 41.2 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -71.5 | 137.3 | -175.4 | 42.8 | 0 | 0 | 0 | 0 | 112.5 | V1322 | V1322-T1324 HydrophobicContact CB-CG2 4.17Å; V1322-T1324 HydrophobicContact CG1-CG2 3.59Å; V1322-T1324 PolarHBondContact O-N 3.1Å; V1322-T1324 PolarHBondContact O-OG1 3.18Å |
| 1325 | V | 46.9 | Very low | 41.8 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -100.3 | 124.5 | 165.5 | -172.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1326 | P | 42.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -107.9 | 165.9 | -124.5 | 38.1 | -40.6 | 0 | 0 | 0 | 122 | | |
| 1327 | A | 51.8 | Low | 43.5 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -157.1 | 168.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1328 | P | 59.7 | Low | 43.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -138.3 | 144.7 | -165.3 | 39 | -20.2 | 0 | 0 | 0 | 121.5 | | |
| 1329 | P | 46.4 | Very low | 44 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -129.6 | 169.9 | 178.2 | 42.4 | -30.4 | 0 | 0 | 0 | 119.8 | | |
| 1330 | P | 38.3 | Very low | 43.9 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -138.7 | 164.9 | 178.4 | 42.4 | -26.3 | 0 | 0 | 0 | 119.6 | | |
| 1331 | A | 30.6 | Very low | 43.4 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -161 | -177 | -178.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1332 | Y | 33.6 | Very low | 43 | Very low | 215 Ų | 215 | 129.7 Ų | 129.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 89.7 | 144.1 | 155.4 | -111.5 | -87 | 0 | 0 | 0 | 125.9 | | |
| 1333 | V | 31.3 | Very low | 42.6 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -165 | 178.8 | 173.2 | 87 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1334 | S | 38.2 | Very low | 42.1 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -159.8 | -163.6 | -177.6 | -148.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1335 | S | 47.9 | Very low | 41.9 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | | | trans | -135.7 | -172.7 | -137.4 | 67.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1336 | F | 57.8 | Low | 41.3 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 93% | 0.934 | 79% | 0.792 | S | S | * | * | | | trans | 152.6 | 167.1 | 147.6 | -99.5 | -80 | 0 | 0 | 0 | 118.9 | | |
| 1337 | G | 51.5 | Low | 40.9 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -178.1 | 161 | 169.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1338 | V | 53.3 | Low | 40.1 | Very low | 159 Ų | 159 | 137 Ų | 137 | 96% | 0.964 | 78% | 0.776 | S | S | * | * | | | trans | -154.5 | -176.9 | 172.6 | -149.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1339 | S | 43.4 | Very low | 39 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -128 | 163.9 | -161.3 | 60.6 | 0 | 0 | 0 | 0 | 119 | | |
| 1340 | N | 40 | Very low | 38.5 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | 94.4 | 131.3 | 153.2 | -120.9 | -7.6 | 0 | 0 | 0 | 123 | | |
| 1341 | L | 35.1 | Very low | 38.3 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | 55.9 | 145.7 | 160.3 | -110 | 75.5 | 0 | 0 | 0 | 125.4 | | |
| 1342 | E | 34.3 | Very low | 38.4 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | 47.6 | 95.1 | 155.3 | -70.5 | -167.2 | 120.7 | 0 | 0 | 122.9 | | |
| 1343 | S | 33 | Very low | 38.4 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | | 83.8 | 118.9 | 120.1 | 83.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1344 | R | 31.3 | Very low | 38.5 | Very low | 234 Ų | 234 | 130 Ų | 130 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | | 60.9 | 142.6 | 128.7 | -85 | -173.6 | 175.5 | -176.6 | 0.2 | 121.4 | | |
| 1345 | V | 34.3 | Very low | 38.2 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | 75.1 | 83.7 | 150.8 | 175.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1346 | S | 34.1 | Very low | 37.4 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | | 107.7 | 127.2 | 107.4 | -87.9 | 0 | 0 | 0 | 0 | 120 | | |
| 1347 | D | 33.9 | Very low | 36.1 | Very low | 96 Ų | 96 | 132 Ų | 132 | 51% | 0.513 | 74% | 0.741 | S | S | . | * | | | | 56.5 | 105.6 | 128.5 | -65.9 | -87.2 | 0 | 0 | 0 | 120 | | |
| 1348 | R | 35.2 | Very low | 35.3 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | 69.8 | 164.3 | 134.6 | -49.7 | 167.8 | -144.9 | -176.7 | 9.7 | 115 | | |
| 1349 | F | 35.9 | Very low | 34.4 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | | | cis | -114.6 | 159.5 | 1.5 | -78.4 | -98.3 | 0 | 0 | 0 | 108.3 | | |
| 1350 | S | 35.9 | Very low | 34 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | | 50.3 | 145.8 | 60.3 | -81.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1351 | S | 33.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | cis | -169.2 | 128.8 | -7.1 | 41.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1352 | G | 33.7 | Very low | 34.2 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | | | trans | -155.3 | 90.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1353 | S | 32.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | 63 | 124.1 | 45 | -140 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1354 | I | 33.6 | Very low | 34.8 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | cis | -155.3 | 151.9 | 22.7 | -9.2 | 175.1 | 0 | 0 | 0 | 110.2 | | |
| 1355 | N | 32.6 | Very low | 35.2 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | 59 | 138 | 149.7 | -63.1 | -17.3 | 0 | 0 | 0 | 119.6 | | |
| 1356 | N | 29.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | | | cis | 80.6 | 121.4 | 35.2 | -159.5 | 23.5 | 0 | 0 | 0 | 113.6 | | |
| 1357 | F | 31.6 | Very low | 35.2 | Very low | 202 Ų | 202 | 127 Ų | 127 | 89% | 0.886 | 70% | 0.704 | S | S | * | * | | | trans | 65.8 | 136.5 | 177.8 | -76.6 | -91.7 | 0 | 0 | 0 | 120.5 | | |
| 1358 | G | 33.9 | Very low | 35.4 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | | | trans | 122.2 | 78.8 | 155 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1359 | S | 35 | Very low | 35.4 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | | 88.4 | 147.2 | 67 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1360 | F | 34.9 | Very low | 35.5 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | | | trans | 74.7 | 132.7 | -176.6 | -59.1 | -81.5 | 0 | 0 | 0 | 114.8 | | |
| 1361 | S | 36.8 | Very low | 35.6 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 71% | 0.712 | S | S | * | * | | | cis | -162.5 | 160.2 | -16.3 | -136.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1362 | D | 41.6 | Very low | 35.5 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | | | trans | 66.5 | 128.2 | 150.8 | -53 | -5.2 | 0 | 0 | 0 | 117.6 | | |
| 1363 | T | 40.8 | Very low | 35.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | | | cis | -159 | 137.5 | -0.6 | 7.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1364 | T | 40.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | | | trans | 58 | 138.1 | 148.3 | 55.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1365 | D | 39.3 | Very low | 35 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | | | cis | 171.3 | 163.5 | -15.6 | -100.4 | 3.6 | 0 | 0 | 0 | 104.2 | | |
| 1366 | F | 33.2 | Very low | 34.9 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | | | cis | -167 | 158.9 | -24.3 | -111 | -42.8 | 0 | 0 | 0 | 104 | L1368 | F1366-L1368 HydrophobicContact CD1-CD1 4.03Å; F1366-L1368 HydrophobicContact CE1-CD1 3.72Å |
| 1367 | F | 35.5 | Very low | 35.7 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | cis | -137 | 154.3 | 17.6 | -71 | -76.6 | 0 | 0 | 0 | 108.2 | | |
| 1368 | L | 37.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 64% | 0.644 | 71% | 0.711 | S | S | * | * | | | | 53.9 | 94.5 | 67.8 | -62.4 | 165.7 | 0 | 0 | 0 | 113 | F1366 | F1366-L1368 HydrophobicContact CD1-CD1 4.03Å; F1366-L1368 HydrophobicContact CE1-CD1 3.72Å |
| 1369 | T | 35.6 | Very low | 36.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | | | | 70.8 | 125.8 | 73.9 | 65.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1370 | D | 38 | Very low | 37 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | 73.2 | 142.6 | 144.7 | -73.1 | -14 | 0 | 0 | 0 | 123.6 | | |
| 1371 | N | 37.2 | Very low | 37.6 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | | | trans | 85.7 | 136.3 | 152.7 | -83.4 | -65.2 | 0 | 0 | 0 | 121.4 | | |
| 1372 | L | 31.1 | Very low | 37.9 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | trans | 74.5 | 109.2 | 157.1 | -63.8 | 158.3 | 0 | 0 | 0 | 119.7 | | |
| 1373 | L | 31.4 | Very low | 38 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | | 64.6 | 124.1 | 129.9 | -64.9 | 172.9 | 0 | 0 | 0 | 120.6 | | |
| 1374 | L | 29.2 | Very low | 38 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | 69.1 | 133.6 | 154.1 | -82.9 | 79.8 | 0 | 0 | 0 | 119 | | |
| 1375 | S | 28.7 | Very low | 37.9 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | | | trans | 69.2 | 105.2 | 132.5 | 177.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1376 | T | 31.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | | | | 75.5 | 117.6 | 126 | -46.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1377 | V | 45.7 | Very low | 38.3 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | 29 | 115.2 | 142.1 | -174.3 | 0 | 0 | 0 | 0 | 117 | | |
| 1378 | P | 42.7 | Very low | 38.2 | Very low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | | -158.4 | 161.7 | 91.7 | 41 | -21.8 | 0 | 0 | 0 | 120.1 | | |
| 1379 | S | 35.5 | Very low | 37.9 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | trans | 42.2 | 141.9 | 137.2 | -53.1 | 0 | 0 | 0 | 0 | 125.1 | | |
| 1380 | T | 48.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | trans | -65.8 | 159.6 | 157.7 | 53 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1381 | P | 48.8 | Very low | 37.6 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | | -143.3 | 129.4 | 108.6 | 36.2 | -20.6 | 0 | 0 | 0 | 112.9 | | |
| 1382 | L | 43.7 | Very low | 37.6 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | | | | 91.9 | 140.9 | 82.9 | -79.1 | 172.1 | 0 | 0 | 0 | 114.6 | | |
| 1383 | D | 41.9 | Very low | 37.9 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | | | trans | 68.4 | 149.4 | 147.8 | -58.6 | -20 | 0 | 0 | 0 | 118.4 | | |
| 1384 | D | 41.3 | Very low | 38.1 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | cis | -138 | 146.9 | 26 | -118.7 | -33.4 | 0 | 0 | 0 | 117.5 | | |
| 1385 | D | 38.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 122 Ų | 122 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | | | trans | 75.7 | 111.2 | 140.7 | -87.1 | -11 | 0 | 0 | 0 | 126.9 | | |
| 1386 | I | 36.4 | Very low | 38.6 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 65% | 0.651 | 73% | 0.731 | S | S | * | * | | | | 71.9 | 90.7 | 126 | -62.3 | 165.8 | 0 | 0 | 0 | 118.8 | F1388 | I1386-F1388 HydrophobicContact CG2-CD2 4.39Š|
| 1387 | G | 44.7 | Very low | 38.7 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | | | trans | -130.4 | 43.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1388 | F | 33.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | | | trans | -38.2 | 142.4 | -170.7 | -110.8 | -102.5 | 0 | 0 | 0 | 117.6 | I1386 | I1386-F1388 HydrophobicContact CG2-CD2 4.39Š|
| 1389 | S | 32 | Very low | 37.8 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | trans | 87.5 | 143.8 | 155 | -59.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1390 | R | 33 | Very low | 37.8 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | cis | 169.9 | 155.8 | -22.6 | -112.6 | 166.9 | -178.7 | -166.4 | 3.8 | 106.5 | | |
| 1391 | R | 34.3 | Very low | 37.3 | Very low | 213 Ų | 213 | 125.5 Ų | 125.5 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | 77.6 | 155.7 | 143.5 | -83.1 | 175.5 | 178.2 | -139.4 | -5 | 117.4 | | |
| 1392 | P | 37.8 | Very low | 36.8 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | | | | -142.6 | -147.8 | -116.6 | 36.4 | -10.9 | 0 | 0 | 0 | 112.2 | | |
| 1393 | V | 36.9 | Very low | 36.7 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | | | trans | 65.7 | 104.2 | 156.4 | 171.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1394 | G | 34.2 | Very low | 36.6 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | | | cis | 96 | 164.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1395 | G | 35.3 | Very low | 36.7 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | | | trans | 93.4 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1396 | I | 34.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | cis | -161.6 | 134 | 1.3 | -132.4 | 164.4 | 0 | 0 | 0 | 110.2 | | |
| 1397 | I | 34 | Very low | 37.2 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | 60.3 | 137.6 | 146.7 | -69.3 | 171 | 0 | 0 | 0 | 118.1 | | |
| 1398 | K | 34.6 | Very low | 37.1 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 70% | 0.7 | 71% | 0.709 | S | S | * | * | | | cis | -166.3 | 137.4 | -6.8 | -100.3 | -177.7 | -167 | 178.4 | 0 | 104.9 | | |
| 1399 | S | 33.8 | Very low | 37.5 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | | | | 58.7 | 146.9 | 72.4 | 88.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1400 | I | 36.5 | Very low | 38.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | trans | 88.8 | 133.2 | 166.5 | -57.3 | 156 | 0 | 0 | 0 | 114.7 | | |
| 1401 | S | 37.6 | Very low | 38.5 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | | | cis | 176.5 | 154.9 | -26.6 | -117.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1402 | N | 38.8 | Very low | 39 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | | | trans | 64 | 169.7 | 149.7 | -54.8 | 15.9 | 0 | 0 | 0 | 117 | | |
| 1403 | E | 40.2 | Very low | 39.1 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | cis | -157.5 | 139.5 | 12.6 | -140.7 | 136 | -121.6 | 0 | 0 | 111.3 | | |
| 1404 | V | 40.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | | | | 54.9 | 139.3 | 125.1 | 165.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1405 | L | 42.6 | Very low | 40 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | | | cis | -149.2 | -136.1 | -14.7 | -101.2 | 173.1 | 0 | 0 | 0 | 108.2 | | |
| 1406 | D | 43.3 | Very low | 40.4 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | | | cis | -177.1 | 163.1 | 3.7 | -155.6 | 65.1 | 0 | 0 | 0 | 109 | | |
| 1407 | S | 42.3 | Very low | 40.8 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 50% | 0.497 | 69% | 0.685 | S | S | . | * | | | cis | -165 | 170.8 | -39.5 | 64 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1408 | N | 43.2 | Very low | 41.4 | Very low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | | | trans | 82.1 | 152 | 170.3 | -50.1 | -60.1 | 0 | 0 | 0 | 119.1 | | |
| 1409 | E | 42.2 | Very low | 42.3 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | | | cis | -162.8 | 150.9 | 4.3 | -131.1 | -169.1 | 162.5 | 0 | 0 | 114.7 | | |
| 1410 | K | 43.7 | Very low | 43.5 | Very low | 162 Ų | 162 | 117.6 Ų | 117.6 | 70% | 0.704 | 65% | 0.649 | S | S | * | * | | | trans | 73.3 | 89.2 | 151.1 | -67.9 | 161 | 178 | 146 | 0 | 126.8 | | |
| 1411 | V | 41.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 111.1 Ų | 111.1 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | | | | 30.3 | 0 | 105.4 | 109.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1412 | P | 46 | Very low | 44.4 | Very low | 98 Ų | 98 | 108.3 Ų | 108.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | | | | 0 | -174.7 | 0 | 48.4 | -29.2 | 0 | 0 | 0 | 120.8 | | |
| 1413 | L | 39.7 | Very low | 44.9 | Very low | 157 Ų | 157 | 103 Ų | 103 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | | | trans | 69.3 | 157.7 | 150.9 | -70.5 | 166.8 | 0 | 0 | 0 | 123.7 | | |
| 1414 | P | 47.8 | Very low | 45.4 | Very low | 97 Ų | 97 | 99.5 Ų | 99.5 | 63% | 0.63 | 55% | 0.549 | S | S | * | . | | | | -148.8 | 153.9 | -51.5 | 42.2 | -21.9 | 0 | 0 | 0 | 121 | | |
| 1415 | T | 41.9 | Very low | 45.4 | Very low | 135 Ų | 135 | 95.2 Ų | 95.2 | 83% | 0.828 | 52% | 0.522 | S | S | * | . | | | trans | 60.9 | 160.4 | 142.7 | 53 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1416 | F | 43.2 | Very low | 45.3 | Very low | 100 Ų | 100 | 93.4 Ų | 93.4 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | | | cis | 171.2 | 155.1 | -25.6 | -165.4 | 26.6 | 0 | 0 | 0 | 113.5 | A1196 D1197 | A1196-F1416 HydrophobicContact CB-CD1 4.07Å; A1196-F1416 HydrophobicContact CB-CE1 4.5Å; D1197-F1416 WeakPolarHBondContact OD1-CE1 3.33Å; D1197-F1416 WeakPolarHBondContact OD2-CD1 3.35Å; D1197-F1416 VanDerWaalsContact OD2-CE1 3.28Å; D1197-F1416 WeakPolarHBondContact OD2-CE1 3.29Å |
| 1417 | T | 44.1 | Very low | 45 | Very low | 81 Ų | 81 | 89 Ų | 89 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | | | trans | 87.5 | 145.1 | 157.1 | 62.4 | 0 | 0 | 0 | 0 | 126 | D1197 | D1197-T1417 VanDerWaalsContact CG-CA 3.43Å; D1197-T1417 WeakPolarHBondContact OD1-CA 3.38Å; D1197-T1417 VanDerWaalsContact OD2-CA 3.23Å; D1197-T1417 WeakPolarHBondContact OD2-CA 3.27Å; D1197-T1417 PolarHBondContact OD2-N 2.69Å |
| 1418 | S | 45.8 | Very low | 45 | Very low | 80 Ų | 80 | 91.6 Ų | 91.6 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | | | cis | 174.3 | 172 | -23.3 | 81.1 | 0 | 0 | 0 | 0 | 111.5 | D1197 | D1197-S1418 WeakPolarHBondContact OD1-CB 3.48Š|
| 1419 | N | 52.7 | Low | 44.4 | Very low | 24 Ų | 24 | 86.8 Ų | 86.8 | 13% | 0.128 | 47% | 0.468 | C | S | . | . | | | cis | -173 | 173.2 | -5.8 | -149.3 | -106.6 | 0 | 0 | 0 | 110.7 | S1199 D1224 S1226 | S1199-N1419 WeakPolarHBondContact OG-CA 3.24Å; D1224-N1419 PolarHBondContact O-ND2 3.36Å; S1226-N1419 PolarHBondContact OG-OD1 3.36Å |
| 1420 | I | 59.9 | Low | 44.3 | Very low | 111 Ų | 111 | 85.7 Ų | 85.7 | 57% | 0.569 | 47% | 0.465 | S | S | * | . | | | trans | 136.3 | 143.1 | 146 | -71.8 | 156.9 | 0 | 0 | 0 | 120.3 | S1199 | S1199-I1420 WeakPolarHBondContact CB-O 3.45Å; S1199-I1420 PolarHBondContact OG-N 2.76Å; S1199-I1420 VanDerWaalsContact OG-N 3.14Å |
| 1421 | P | 36.9 | Very low | 43.8 | Very low | 11 Ų | 11 | 82.5 Ų | 82.5 | 7% | 0.071 | 46% | 0.463 | C | S | . | . | | | trans | -115.4 | -175.3 | 176.2 | 45.5 | -43.5 | 0 | 0 | 0 | 118.8 | V1200 S1226 I1228 | V1200-P1421 VanDerWaalsContact O-CA 3.32Å; V1200-P1421 WeakPolarHBondContact O-CA 3.25Å; V1200-P1421 WeakPolarHBondContact O-CB 3.41Å; S1226-P1421 WeakPolarHBondContact O-CB 3.25Å; S1226-P1421 WeakPolarHBondContact O-CD 3.16Å; S1226-P1421 WeakPolarHBondContact O-CG 3.26Å; S1226-P1421 VanDerWaalsContact OG-CD 3.24Å; S1226-P1421 WeakPolarHBondContact OG-CD 3.46Å; I1228-P1421 HydrophobicContact CB-CB 4.29Å; I1228-P1421 HydrophobicContact CB-CG 4.04Å; I1228-P1421 HydrophobicContact CD1-CG 3.82Å; I1228-P1421 HydrophobicContact CG1-CB 4.38Å; I1228-P1421 HydrophobicContact CG1-CG 3.6Å |
| 1422 | S | 56.2 | Low | 43.9 | Very low | 29 Ų | 29 | 79.1 Ų | 79.1 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | | | trans | -105.2 | 146.9 | -170.4 | -176.2 | 0 | 0 | 0 | 0 | 116 | I1201 D1203 I1228 | I1201-S1422 VanDerWaalsContact CG2-CB 3.43Å; D1203-S1422 PolarHBondContact OD2-OG 3.16Å; D1203-S1422 VanDerWaalsContact OD2-OG 3.05Å; I1228-S1422 CarbonylContact C-O 3.57Å; I1228-S1422 WeakPolarHBondContact CB-O 3.46Å; I1228-S1422 WeakPolarHBondContact CG2-O 3.33Å; I1228-S1422 VanDerWaalsContact O-O 3.07Å |
| 1423 | N | 48.6 | Very low | 43.4 | Very low | 13 Ų | 13 | 81.9 Ų | 81.9 | 7% | 0.07 | 47% | 0.465 | C | S | . | . | | | trans | -138 | 105.1 | -151.8 | -176.4 | -98.7 | 0 | 0 | 0 | 116.7 | K132 I1228 D1230 I1255 | K132-N1423 VanDerWaalsContact CE-CG 3.46Å; K132-N1423 WeakPolarHBondContact CE-OD1 3.33Å; K132-N1423 WeakPolarHBondContact CG-OD1 3.33Å; K132-N1423 PolarHBondContact NZ-ND2 2.79Å; K132-N1423 PolarHBondContact NZ-OD1 3.44Å; I1228-N1423 HydrophobicContact CD1-CB 4.19Å; I1228-N1423 VanDerWaalsContact CD1-ND2 3.33Å; I1228-N1423 WeakPolarHBondContact CD1-ND2 3.46Å; I1228-N1423 HydrophobicContact CG2-CB 4.4Å; D1230-N1423 VanDerWaalsContact OD2-C 3.27Å; I1255-N1423 VanDerWaalsContact CD1-ND2 3.34Å; I1255-N1423 WeakPolarHBondContact CD1-ND2 3.5Å |
| 1424 | R | 50.6 | Low | 43 | Very low | 81 Ų | 81 | 80.4 Ų | 80.4 | 31% | 0.306 | 46% | 0.458 | S | S | . | . | | | trans | 140.9 | 119.2 | 139.7 | -92.1 | 171.1 | -96.1 | 81.8 | 22.5 | 116 | Q131 D1230 I1255 | Q131-R1424 VanDerWaalsContact CG-NE 3.28Å; D1230-R1424 WeakPolarHBondContact OD1-CA 3.2Å; D1230-R1424 PolarHBondContact OD1-N 3.42Å; D1230-R1424 VanDerWaalsContact OD2-C 3.23Å; D1230-R1424 WeakPolarHBondContact OD2-CA 3.23Å; D1230-R1424 PolarHBondContact OD2-N 3.08Å; I1255-R1424 HydrophobicContact CG2-CG 4.32Å |
| 1425 | N | 40.7 | Very low | 42.9 | Very low | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.193 | 46% | 0.462 | C | S | . | . | | | | 56.5 | 149.5 | 103.2 | -58.1 | 19.3 | 0 | 0 | 0 | 120.2 | D1230 I1255 D1257 | D1230-N1425 PolarHBondContact OD1-N 3.34Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.33Å; D1257-N1425 HydrophobicContact CB-CB 3.73Å; D1257-N1425 PolarHBondContact N-OD1 2.84Å; D1257-N1425 WeakPolarHBondContact O-CA 3.47Å; D1257-N1425 WeakPolarHBondContact OD2-CB 3.43Å; D1257-N1425 PolarHBondContact OD2-ND2 3.36Å |
| 1426 | I | 41.6 | Very low | 43 | Very low | 112 Ų | 112 | 82.6 Ų | 82.6 | 57% | 0.574 | 45% | 0.453 | S | S | * | . | | | trans | 96.6 | 97.9 | 145.8 | -83.5 | 149.9 | 0 | 0 | 0 | 113.7 | D1257 S1258 | D1257-I1426 HydrophobicContact CB-CG1 3.85Å; D1257-I1426 PolarHBondContact O-N 3.04Å; S1258-I1426 PolarHBondContact OG-N 3.02Å |
| 1427 | N | 35.5 | Very low | 43.3 | Very low | 41 Ų | 41 | 83 Ų | 83 | 22% | 0.219 | 46% | 0.457 | C | S | . | . | | | | 75.8 | 71.7 | 73.1 | -177.1 | -2.5 | 0 | 0 | 0 | 111.5 | S1258 I1259 D1284 | S1258-N1427 PolarHBondContact OG-N 2.77Å; I1259-N1427 HydrophobicContact CD1-CB 4.22Å; I1259-N1427 WeakPolarHBondContact CD1-OD1 3.46Å; D1284-N1427 PolarHBondContact O-ND2 3.5Å |
| 1428 | I | 43.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 87.2 Ų | 87.2 | 65% | 0.646 | 47% | 0.47 | S | S | * | . | | | trans | -149.3 | 120 | 155.7 | -54.8 | -178.8 | 0 | 0 | 0 | 103.2 | I1430 | I1428-I1430 HydrophobicContact CG2-CB 4.07Š|
| 1429 | H | 31.6 | Very low | 43.9 | Very low | 45 Ų | 45 | 88.9 Ų | 88.9 | 21% | 0.208 | 47% | 0.473 | C | S | . | . | | | cis | 55.8 | 70.6 | 6.5 | -150.2 | -78.6 | 0 | 0 | 0 | 115.7 | E1261 E1288 | E1261-H1429 WeakPolarHBondContact OE1-CA 3.48Å; E1261-H1429 PolarHBondContact OE1-N 2.71Å; E1288-H1429 WeakPolarHBondContact CB-NE2 3.42Å; E1288-H1429 WeakPolarHBondContact CG-NE2 3.38Å; E1288-H1429 IonicContact OE1-CE1 3.55Å; E1288-H1429 PolarHBondContact OE1-CE1 3.05Å; E1288-H1429 IonicContact OE1-NE2 2.81Å; E1288-H1429 IonicContact OE2-CE1 3.92Å; E1288-H1429 IonicContact OE2-NE2 3.35Å |
| 1430 | I | 38.4 | Very low | 43.9 | Very low | 122 Ų | 122 | 94.8 Ų | 94.8 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | | | trans | -165.5 | 101.6 | 145.3 | -102.5 | 148.8 | 0 | 0 | 0 | 111 | E1261 I1428 G1432 | E1261-I1430 PolarHBondContact OE1-N 3.27Å; I1428-I1430 HydrophobicContact CG2-CB 4.07Å; I1430-G1432 VanDerWaalsContact C-N 3.26Å; I1430-G1432 PolarHBondContact O-N 3.48Å |
| 1431 | S | 33.8 | Very low | 43.6 | Very low | 95 Ų | 95 | 94.5 Ų | 94.5 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | | | | 45.4 | 41 | 118.4 | -37.7 | 0 | 0 | 0 | 0 | 117 | L1433 | S1431-L1433 PolarHBondContact O-N 3.03Š|
| 1432 | G | 44.4 | Very low | 44.5 | Very low | 67 Ų | 67 | 101 Ų | 101 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | | | trans | -88.5 | 3.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1430 N1434 | I1430-G1432 VanDerWaalsContact C-N 3.26Å; I1430-G1432 PolarHBondContact O-N 3.48Å; G1432-N1434 VanDerWaalsContact C-N 3.25Å; G1432-N1434 WeakPolarHBondContact O-CB 3.4Å; G1432-N1434 PolarHBondContact O-N 3.34Å |
| 1433 | L | 35.1 | Very low | 45 | Very low | 157 Ų | 157 | 106.4 Ų | 106.4 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | | | trans | -63.4 | 67.1 | -160 | -126.4 | 170.3 | 0 | 0 | 0 | 115.6 | S1431 I1435 | S1431-L1433 PolarHBondContact O-N 3.03Å; L1433-I1435 HydrophobicContact CD2-CD1 4.16Å; L1433-I1435 HydrophobicContact CD2-CG1 3.62Å; L1433-I1435 PolarHBondContact O-N 3.5Å |
| 1434 | N | 31.9 | Very low | 46.2 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | | | trans | -90.6 | 85.4 | -179.6 | -171.8 | 13.5 | 0 | 0 | 0 | 108.8 | G1432 H1436 | G1432-N1434 VanDerWaalsContact C-N 3.25Å; G1432-N1434 WeakPolarHBondContact O-CB 3.4Å; G1432-N1434 PolarHBondContact O-N 3.34Å; N1434-H1436 PolarHBondContact O-N 3.39Å |
| 1435 | I | 44.3 | Very low | 47.3 | Very low | 140 Ų | 140 | 112.9 Ų | 112.9 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 57.2 | -169.2 | -42.4 | 175.4 | 0 | 0 | 0 | 112.4 | L1433 | L1433-I1435 HydrophobicContact CD2-CD1 4.16Å; L1433-I1435 HydrophobicContact CD2-CG1 3.62Å; L1433-I1435 PolarHBondContact O-N 3.5Å |
| 1436 | H | 45.4 | Very low | 49.5 | Very low | 138 Ų | 138 | 113.4 Ų | 113.4 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | -15 | -171.1 | -135.9 | -45.9 | 0 | 0 | 0 | 115.3 | N1434 | N1434-H1436 PolarHBondContact O-N 3.39Š|
| 1437 | E | 49.6 | Very low | 51.6 | Low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -98.4 | -30.1 | 178.3 | -64.6 | -96.6 | 97.3 | 0 | 0 | 113.2 | R1440 F1441 | E1437-R1440 CarbonylContact O-C 3.53Å; E1437-R1440 VanDerWaalsContact O-C 3.29Å; E1437-R1440 VanDerWaalsContact O-CA 3.23Å; E1437-R1440 WeakPolarHBondContact O-CA 3.48Å; E1437-R1440 WeakPolarHBondContact O-CB 3.44Å; E1437-R1440 PolarHBondContact O-N 3.42Å; E1437-R1440 WeakPolarHBondContact OE1-CD 3.35Å; E1437-R1440 IonicContact OE1-CZ 2.66Å; E1437-R1440 IonicContact OE1-NE 2.69Å; E1437-R1440 IonicContact OE1-NH1 3.1Å; E1437-R1440 PolarHBondContact OE1-NH1 3.01Å; E1437-F1441 PolarHBondContact O-N 3.17Å |
| 1438 | H | 49.6 | Very low | 53.9 | Low | 168 Ų | 168 | 114.5 Ų | 114.5 | 78% | 0.778 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 172.5 | -100.5 | -50.1 | 0 | 0 | 0 | 113 | R1440 F1441 E1442 | H1438-R1440 PolarHBondContact O-N 3.44Å; H1438-F1441 PolarHBondContact O-N 3.05Å; H1438-E1442 PolarHBondContact O-N 3.49Å |
| 1439 | N | 52.1 | Low | 56.1 | Low | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.4 | -11.1 | 169.2 | -86.2 | -49.8 | 0 | 0 | 0 | 113.1 | F1443 | N1439-F1443 VanDerWaalsContact O-CB 3.27Å; N1439-F1443 WeakPolarHBondContact O-CB 3.44Å; N1439-F1443 PolarHBondContact O-N 3.17Å |
| 1440 | R | 53.3 | Low | 59 | Low | 148 Ų | 148 | 111.4 Ų | 111.4 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -102.8 | -21 | 176.6 | -155.1 | -175.4 | -176.5 | -158 | -3.3 | 112.2 | E1437 H1438 K1444 | E1437-R1440 CarbonylContact O-C 3.53Å; E1437-R1440 VanDerWaalsContact O-C 3.29Å; E1437-R1440 VanDerWaalsContact O-CA 3.23Å; E1437-R1440 WeakPolarHBondContact O-CA 3.48Å; E1437-R1440 WeakPolarHBondContact O-CB 3.44Å; E1437-R1440 PolarHBondContact O-N 3.42Å; E1437-R1440 WeakPolarHBondContact OE1-CD 3.35Å; E1437-R1440 IonicContact OE1-CZ 2.66Å; E1437-R1440 IonicContact OE1-NE 2.69Å; E1437-R1440 IonicContact OE1-NH1 3.1Å; E1437-R1440 PolarHBondContact OE1-NH1 3.01Å; H1438-R1440 PolarHBondContact O-N 3.44Å; R1440-K1444 WeakPolarHBondContact O-CB 3.26Å; R1440-K1444 WeakPolarHBondContact O-CG 3.38Å; R1440-K1444 PolarHBondContact O-N 3.14Å |
| 1441 | F | 52 | Low | 61.5 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -80.1 | -42.7 | 167.9 | -130.7 | -90.3 | 0 | 0 | 0 | 110.4 | E1437 H1438 F1443 K1444 H1445 | E1437-F1441 PolarHBondContact O-N 3.17Å; H1438-F1441 PolarHBondContact O-N 3.05Å; F1441-F1443 PolarHBondContact O-N 3.12Å; F1441-K1444 HydrophobicContact CD2-CD 4.35Å; F1441-K1444 HydrophobicContact CE2-CD 4.44Å; F1441-K1444 CarbonylContact O-C 3.29Å; F1441-K1444 PolarHBondContact O-N 2.79Å; F1441-K1444 VanDerWaalsContact O-N 3.08Å; F1441-H1445 AromaticContact CD1-CD2 3.52Å; F1441-H1445 AromaticContact CD1-NE2 3.46Å; F1441-H1445 WeakPolarHBondContact CD1-NE2 3.42Å; F1441-H1445 AromaticContact CE1-CD2 3.89Å; F1441-H1445 AromaticContact CE1-NE2 3.33Å; F1441-H1445 VanDerWaalsContact CE1-NE2 3.33Å; F1441-H1445 WeakPolarHBondContact CE1-NE2 3.41Å; F1441-H1445 PolarHBondContact O-N 2.95Å |
| 1442 | E | 57 | Low | 64.2 | Low | 148 Ų | 148 | 109.9 Ų | 109.9 | 69% | 0.692 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -33.7 | 164.6 | -79.7 | -161 | 176 | 0 | 0 | 112.1 | H1438 G1446 | H1438-E1442 PolarHBondContact O-N 3.49Å; E1442-G1446 VanDerWaalsContact O-CA 3.25Å; E1442-G1446 WeakPolarHBondContact O-CA 3.4Å; E1442-G1446 PolarHBondContact O-N 2.6Å |
| 1443 | F | 65.2 | Low | 66.6 | Low | 143 Ų | 143 | 111.4 Ų | 111.4 | 63% | 0.627 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.4 | -25.4 | 172.8 | -161.5 | -88.2 | 0 | 0 | 0 | 113.1 | N1439 F1441 L1447 | N1439-F1443 VanDerWaalsContact O-CB 3.27Å; N1439-F1443 WeakPolarHBondContact O-CB 3.44Å; N1439-F1443 PolarHBondContact O-N 3.17Å; F1441-F1443 PolarHBondContact O-N 3.12Å; F1443-L1447 WeakPolarHBondContact O-CB 3.48Å; F1443-L1447 PolarHBondContact O-N 2.69Å |
| 1444 | K | 74.8 | Confident | 69.4 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 53% | 0.53 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.8 | -58.9 | 170.3 | -89.5 | 179.3 | 170.4 | -173.3 | 0 | 109.8 | R1440 F1441 G1446 L1447 T1448 | R1440-K1444 WeakPolarHBondContact O-CB 3.26Å; R1440-K1444 WeakPolarHBondContact O-CG 3.38Å; R1440-K1444 PolarHBondContact O-N 3.14Å; F1441-K1444 HydrophobicContact CD2-CD 4.35Å; F1441-K1444 HydrophobicContact CE2-CD 4.44Å; F1441-K1444 CarbonylContact O-C 3.29Å; F1441-K1444 PolarHBondContact O-N 2.79Å; F1441-K1444 VanDerWaalsContact O-N 3.08Å; K1444-G1446 VanDerWaalsContact C-N 3.29Å; K1444-G1446 PolarHBondContact O-N 3.09Å; K1444-L1447 CarbonylContact O-C 3.56Å; K1444-L1447 WeakPolarHBondContact O-CA 3.47Å; K1444-L1447 WeakPolarHBondContact O-CB 3.39Å; K1444-L1447 PolarHBondContact O-N 3.41Å; K1444-T1448 WeakPolarHBondContact O-CB 3.34Å; K1444-T1448 PolarHBondContact O-N 3.42Å; K1444-T1448 PolarHBondContact O-OG1 2.69Å; K1444-T1448 VanDerWaalsContact O-OG1 3.06Å |
| 1445 | H | 74.7 | Confident | 72.3 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 173.2 | -73.4 | -63.6 | 0 | 0 | 0 | 111.3 | F1441 L1447 T1448 V1449 | F1441-H1445 AromaticContact CD1-CD2 3.52Å; F1441-H1445 AromaticContact CD1-NE2 3.46Å; F1441-H1445 WeakPolarHBondContact CD1-NE2 3.42Å; F1441-H1445 AromaticContact CE1-CD2 3.89Å; F1441-H1445 AromaticContact CE1-NE2 3.33Å; F1441-H1445 VanDerWaalsContact CE1-NE2 3.33Å; F1441-H1445 WeakPolarHBondContact CE1-NE2 3.41Å; F1441-H1445 PolarHBondContact O-N 2.95Å; H1445-L1447 VanDerWaalsContact C-N 3.25Å; H1445-L1447 PolarHBondContact O-N 3.36Å; H1445-T1448 PolarHBondContact O-N 3.4Å; H1445-V1449 WeakPolarHBondContact O-CA 3.12Å; H1445-V1449 WeakPolarHBondContact O-CB 3.39Å; H1445-V1449 VanDerWaalsContact O-CG2 3.26Å; H1445-V1449 WeakPolarHBondContact O-CG2 3.21Å; H1445-V1449 PolarHBondContact O-N 3.32Å |
| 1446 | G | 86.8 | Confident | 74.6 | Confident | 48 Ų | 48 | 103 Ų | 103 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -32.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1442 K1444 G1450 | E1442-G1446 VanDerWaalsContact O-CA 3.25Å; E1442-G1446 WeakPolarHBondContact O-CA 3.4Å; E1442-G1446 PolarHBondContact O-N 2.6Å; K1444-G1446 VanDerWaalsContact C-N 3.29Å; K1444-G1446 PolarHBondContact O-N 3.09Å; G1446-G1450 WeakPolarHBondContact O-CA 3.43Å; G1446-G1450 PolarHBondContact O-N 3.12Å; G1446-G1450 VanDerWaalsContact O-N 3.08Å |
| 1447 | L | 84.6 | Confident | 77 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -80 | -39.3 | 172.3 | -170.8 | 76.2 | 0 | 0 | 0 | 112.2 | F1443 K1444 H1445 G1450 L1451 | F1443-L1447 WeakPolarHBondContact O-CB 3.48Å; F1443-L1447 PolarHBondContact O-N 2.69Å; K1444-L1447 CarbonylContact O-C 3.56Å; K1444-L1447 WeakPolarHBondContact O-CA 3.47Å; K1444-L1447 WeakPolarHBondContact O-CB 3.39Å; K1444-L1447 PolarHBondContact O-N 3.41Å; H1445-L1447 VanDerWaalsContact C-N 3.25Å; H1445-L1447 PolarHBondContact O-N 3.36Å; L1447-G1450 CarbonylContact O-C 3.52Å; L1447-G1450 WeakPolarHBondContact O-CA 3.47Å; L1447-G1450 PolarHBondContact O-N 2.96Å; L1447-L1451 WeakPolarHBondContact O-CB 3.44Å; L1447-L1451 PolarHBondContact O-N 2.86Å |
| 1448 | T | 85.2 | Confident | 79.1 | Confident | 73 Ų | 73 | 101 Ų | 101 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.3 | -51.1 | -178.9 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | K1444 H1445 G1450 L1451 I1452 | K1444-T1448 WeakPolarHBondContact O-CB 3.34Å; K1444-T1448 PolarHBondContact O-N 3.42Å; K1444-T1448 PolarHBondContact O-OG1 2.69Å; K1444-T1448 VanDerWaalsContact O-OG1 3.06Å; H1445-T1448 PolarHBondContact O-N 3.4Å; T1448-G1450 PolarHBondContact O-N 3.41Å; T1448-L1451 CarbonylContact O-C 3.49Å; T1448-L1451 WeakPolarHBondContact O-CA 3.41Å; T1448-L1451 WeakPolarHBondContact O-CB 3.45Å; T1448-L1451 PolarHBondContact O-N 3.25Å; T1448-I1452 HydrophobicContact CG2-CD1 3.96Å; T1448-I1452 WeakPolarHBondContact O-CB 3.46Å; T1448-I1452 VanDerWaalsContact O-CG1 3.29Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.03Å; T1448-I1452 PolarHBondContact O-N 3.45Å |
| 1449 | V | 87.7 | Confident | 81.2 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -37.3 | 167.1 | 178 | 0 | 0 | 0 | 0 | 110.2 | H1445 L1451 I1452 L1453 | H1445-V1449 WeakPolarHBondContact O-CA 3.12Å; H1445-V1449 WeakPolarHBondContact O-CB 3.39Å; H1445-V1449 VanDerWaalsContact O-CG2 3.26Å; H1445-V1449 WeakPolarHBondContact O-CG2 3.21Å; H1445-V1449 PolarHBondContact O-N 3.32Å; V1449-L1451 VanDerWaalsContact C-N 3.34Å; V1449-L1451 PolarHBondContact O-N 3.45Å; V1449-I1452 PolarHBondContact O-N 2.71Å; V1449-L1453 HydrophobicContact CG1-CD1 3.93Å; V1449-L1453 HydrophobicContact CG1-CG 4.3Å; V1449-L1453 VanDerWaalsContact O-CB 3.24Å; V1449-L1453 WeakPolarHBondContact O-CB 3.31Å; V1449-L1453 WeakPolarHBondContact O-CG 3.5Å; V1449-L1453 PolarHBondContact O-N 3.2Å |
| 1450 | G | 94.3 | Very high | 83.2 | Confident | 33 Ų | 33 | 97.3 Ų | 97.3 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1446 L1447 T1448 L1454 | G1446-G1450 WeakPolarHBondContact O-CA 3.43Å; G1446-G1450 PolarHBondContact O-N 3.12Å; G1446-G1450 VanDerWaalsContact O-N 3.08Å; L1447-G1450 CarbonylContact O-C 3.52Å; L1447-G1450 WeakPolarHBondContact O-CA 3.47Å; L1447-G1450 PolarHBondContact O-N 2.96Å; T1448-G1450 PolarHBondContact O-N 3.41Å; G1450-L1454 VanDerWaalsContact O-CB 3.24Å; G1450-L1454 WeakPolarHBondContact O-CB 3.26Å; G1450-L1454 PolarHBondContact O-N 2.74Å |
| 1451 | L | 89.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.2 | -41.3 | 176.7 | -112.9 | 161.4 | 0 | 0 | 0 | 111.5 | L1447 T1448 V1449 L1454 C1455 | L1447-L1451 WeakPolarHBondContact O-CB 3.44Å; L1447-L1451 PolarHBondContact O-N 2.86Å; T1448-L1451 CarbonylContact O-C 3.49Å; T1448-L1451 WeakPolarHBondContact O-CA 3.41Å; T1448-L1451 WeakPolarHBondContact O-CB 3.45Å; T1448-L1451 PolarHBondContact O-N 3.25Å; V1449-L1451 VanDerWaalsContact C-N 3.34Å; V1449-L1451 PolarHBondContact O-N 3.45Å; L1451-L1454 CarbonylContact O-C 3.45Å; L1451-L1454 PolarHBondContact O-N 3.42Å; L1451-C1455 WeakPolarHBondContact O-CB 3.37Å; L1451-C1455 PolarHBondContact O-N 3.06Å; L1451-C1455 PolarHBondContact O-SG 3.15Å |
| 1452 | I | 91.9 | Very high | 87.2 | Confident | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 173.6 | -69.3 | 164.1 | 0 | 0 | 0 | 109.3 | T1448 V1449 L1454 C1455 I1456 | T1448-I1452 HydrophobicContact CG2-CD1 3.96Å; T1448-I1452 WeakPolarHBondContact O-CB 3.46Å; T1448-I1452 VanDerWaalsContact O-CG1 3.29Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.03Å; T1448-I1452 PolarHBondContact O-N 3.45Å; V1449-I1452 PolarHBondContact O-N 2.71Å; I1452-L1454 VanDerWaalsContact C-N 3.3Å; I1452-L1454 PolarHBondContact O-N 3.03Å; I1452-C1455 PolarHBondContact O-N 2.83Å; I1452-I1456 HydrophobicContact CG2-CD1 3.73Å; I1452-I1456 HydrophobicContact CG2-CG1 4.45Å; I1452-I1456 WeakPolarHBondContact O-CB 3.44Å; I1452-I1456 VanDerWaalsContact O-CG1 3.24Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.02Å; I1452-I1456 PolarHBondContact O-N 3.17Å |
| 1453 | L | 94.2 | Very high | 89 | Confident | 98 Ų | 98 | 91.2 Ų | 91.2 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 173.9 | -72 | 171.5 | 0 | 0 | 0 | 112.6 | V1449 L1457 | V1449-L1453 HydrophobicContact CG1-CD1 3.93Å; V1449-L1453 HydrophobicContact CG1-CG 4.3Å; V1449-L1453 VanDerWaalsContact O-CB 3.24Å; V1449-L1453 WeakPolarHBondContact O-CB 3.31Å; V1449-L1453 WeakPolarHBondContact O-CG 3.5Å; V1449-L1453 PolarHBondContact O-N 3.2Å; L1453-L1457 WeakPolarHBondContact O-CB 3.43Å; L1453-L1457 WeakPolarHBondContact O-CG 3.48Å; L1453-L1457 PolarHBondContact O-N 2.94Å |
| 1454 | L | 94 | Very high | 90.5 | Very high | 98 Ų | 98 | 87.6 Ų | 87.6 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 173.7 | -177.1 | 63.4 | 0 | 0 | 0 | 111.8 | G1450 L1451 I1452 L1457 V1458 | G1450-L1454 VanDerWaalsContact O-CB 3.24Å; G1450-L1454 WeakPolarHBondContact O-CB 3.26Å; G1450-L1454 PolarHBondContact O-N 2.74Å; L1451-L1454 CarbonylContact O-C 3.45Å; L1451-L1454 PolarHBondContact O-N 3.42Å; I1452-L1454 VanDerWaalsContact C-N 3.3Å; I1452-L1454 PolarHBondContact O-N 3.03Å; L1454-L1457 PolarHBondContact O-N 2.91Å; L1454-V1458 WeakPolarHBondContact O-CB 3.03Å; L1454-V1458 VanDerWaalsContact O-CG2 3.31Å; L1454-V1458 WeakPolarHBondContact O-CG2 3.34Å; L1454-V1458 PolarHBondContact O-N 3.28Å |
| 1455 | C | 92 | Very high | 91.4 | Very high | 65 Ų | 65 | 85 Ų | 85 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.8 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | L1451 I1452 L1457 V1458 I1459 | L1451-C1455 WeakPolarHBondContact O-CB 3.37Å; L1451-C1455 PolarHBondContact O-N 3.06Å; L1451-C1455 PolarHBondContact O-SG 3.15Å; I1452-C1455 PolarHBondContact O-N 2.83Å; C1455-L1457 VanDerWaalsContact C-N 3.31Å; C1455-L1457 PolarHBondContact O-N 3.1Å; C1455-V1458 CarbonylContact O-C 3.58Å; C1455-V1458 PolarHBondContact O-N 3.13Å; C1455-V1458 VanDerWaalsContact O-N 3.11Å; C1455-I1459 WeakPolarHBondContact O-CB 3.4Å; C1455-I1459 VanDerWaalsContact O-CG1 3.25Å; C1455-I1459 WeakPolarHBondContact O-CG1 3.19Å; C1455-I1459 PolarHBondContact O-N 3.03Å |
| 1456 | I | 94 | Very high | 92.4 | Very high | 85 Ų | 85 | 83 Ų | 83 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 173 | -68.4 | 165.6 | 0 | 0 | 0 | 110.5 | I1452 I1459 M1460 | I1452-I1456 HydrophobicContact CG2-CD1 3.73Å; I1452-I1456 HydrophobicContact CG2-CG1 4.45Å; I1452-I1456 WeakPolarHBondContact O-CB 3.44Å; I1452-I1456 VanDerWaalsContact O-CG1 3.24Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.02Å; I1452-I1456 PolarHBondContact O-N 3.17Å; I1456-I1459 PolarHBondContact O-N 3.21Å; I1456-M1460 HydrophobicContact CG2-CG 4.37Å; I1456-M1460 VanDerWaalsContact O-CB 3.24Å; I1456-M1460 WeakPolarHBondContact O-CB 3.5Å; I1456-M1460 WeakPolarHBondContact O-CG 3.27Å; I1456-M1460 PolarHBondContact O-N 3.06Å |
| 1457 | L | 94.2 | Very high | 92.8 | Very high | 121 Ų | 121 | 86.1 Ų | 86.1 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 174.2 | -82.3 | 169 | 0 | 0 | 0 | 113.1 | L1453 L1454 C1455 L1461 | L1453-L1457 WeakPolarHBondContact O-CB 3.43Å; L1453-L1457 WeakPolarHBondContact O-CG 3.48Å; L1453-L1457 PolarHBondContact O-N 2.94Å; L1454-L1457 PolarHBondContact O-N 2.91Å; C1455-L1457 VanDerWaalsContact C-N 3.31Å; C1455-L1457 PolarHBondContact O-N 3.1Å; L1457-L1461 VanDerWaalsContact O-CB 3.27Å; L1457-L1461 WeakPolarHBondContact O-CB 3.45Å; L1457-L1461 PolarHBondContact O-N 3.37Å |
| 1458 | V | 94 | Very high | 93.3 | Very high | 82 Ų | 82 | 84.8 Ų | 84.8 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 175.7 | 168 | 0 | 0 | 0 | 0 | 110.8 | L1454 C1455 L1461 V1462 | L1454-V1458 WeakPolarHBondContact O-CB 3.03Å; L1454-V1458 VanDerWaalsContact O-CG2 3.31Å; L1454-V1458 WeakPolarHBondContact O-CG2 3.34Å; L1454-V1458 PolarHBondContact O-N 3.28Å; C1455-V1458 CarbonylContact O-C 3.58Å; C1455-V1458 PolarHBondContact O-N 3.13Å; C1455-V1458 VanDerWaalsContact O-N 3.11Å; V1458-L1461 PolarHBondContact O-N 3.22Å; V1458-V1462 HydrophobicContact CG1-CG2 4.43Å; V1458-V1462 WeakPolarHBondContact O-CG2 3.47Å; V1458-V1462 PolarHBondContact O-N 3.06Å |
| 1459 | I | 93.5 | Very high | 93.8 | Very high | 93 Ų | 93 | 86.5 Ų | 86.5 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.5 | -68.8 | 163.1 | 0 | 0 | 0 | 109.9 | C1455 I1456 L1461 V1462 L1463 | C1455-I1459 WeakPolarHBondContact O-CB 3.4Å; C1455-I1459 VanDerWaalsContact O-CG1 3.25Å; C1455-I1459 WeakPolarHBondContact O-CG1 3.19Å; C1455-I1459 PolarHBondContact O-N 3.03Å; I1456-I1459 PolarHBondContact O-N 3.21Å; I1459-L1461 VanDerWaalsContact C-N 3.3Å; I1459-L1461 PolarHBondContact O-N 3.01Å; I1459-V1462 PolarHBondContact O-N 3.48Å; I1459-L1463 HydrophobicContact CG2-CD1 3.8Å; I1459-L1463 HydrophobicContact CG2-CG 4.26Å; I1459-L1463 WeakPolarHBondContact O-CB 3.37Å; I1459-L1463 VanDerWaalsContact O-CG 3.31Å; I1459-L1463 WeakPolarHBondContact O-CG 3.19Å; I1459-L1463 PolarHBondContact O-N 3.33Å |
| 1460 | M | 95.3 | Very high | 94.1 | Very high | 113 Ų | 113 | 87.8 Ų | 87.8 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | 174.6 | -74.9 | -72.2 | 145.6 | 0 | 0 | 112.7 | I1456 L1463 S1464 | I1456-M1460 HydrophobicContact CG2-CG 4.37Å; I1456-M1460 VanDerWaalsContact O-CB 3.24Å; I1456-M1460 WeakPolarHBondContact O-CB 3.5Å; I1456-M1460 WeakPolarHBondContact O-CG 3.27Å; I1456-M1460 PolarHBondContact O-N 3.06Å; M1460-L1463 HydrophobicContact CE-CD1 4.47Å; M1460-S1464 WeakPolarHBondContact O-CB 3.43Å; M1460-S1464 PolarHBondContact O-N 3.32Å |
| 1461 | L | 95.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 93 Ų | 93 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.4 | -42.8 | 174.8 | -167.2 | 155.5 | 0 | 0 | 0 | 111.3 | L1457 V1458 I1459 S1464 T1465 | L1457-L1461 VanDerWaalsContact O-CB 3.27Å; L1457-L1461 WeakPolarHBondContact O-CB 3.45Å; L1457-L1461 PolarHBondContact O-N 3.37Å; V1458-L1461 PolarHBondContact O-N 3.22Å; I1459-L1461 VanDerWaalsContact C-N 3.3Å; I1459-L1461 PolarHBondContact O-N 3.01Å; L1461-S1464 PolarHBondContact O-N 3.07Å; L1461-T1465 HydrophobicContact CD2-CG2 4.16Å; L1461-T1465 WeakPolarHBondContact O-CG2 3.06Å; L1461-T1465 PolarHBondContact O-N 3.3Å; L1461-T1465 PolarHBondContact O-OG1 3.3Å |
| 1462 | V | 94 | Very high | 94.3 | Very high | 74 Ų | 74 | 92.3 Ų | 92.3 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -53.8 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | V1458 I1459 S1464 T1465 V1466 | V1458-V1462 HydrophobicContact CG1-CG2 4.43Å; V1458-V1462 WeakPolarHBondContact O-CG2 3.47Å; V1458-V1462 PolarHBondContact O-N 3.06Å; I1459-V1462 PolarHBondContact O-N 3.48Å; V1462-S1464 VanDerWaalsContact C-N 3.28Å; V1462-S1464 PolarHBondContact O-N 3.08Å; V1462-T1465 CarbonylContact O-C 3.41Å; V1462-T1465 WeakPolarHBondContact O-CA 3.19Å; V1462-T1465 PolarHBondContact O-N 3.15Å; V1462-T1465 PolarHBondContact O-OG1 2.67Å; V1462-V1466 HydrophobicContact CG1-CG2 4.38Å; V1462-V1466 WeakPolarHBondContact O-CG2 3.35Å; V1462-V1466 PolarHBondContact O-N 3.46Å |
| 1463 | L | 94.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 97 Ų | 97 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.6 | -41.9 | 175.1 | -70.2 | 173.4 | 0 | 0 | 0 | 111.7 | I1459 M1460 V1466 L1467 | I1459-L1463 HydrophobicContact CG2-CD1 3.8Å; I1459-L1463 HydrophobicContact CG2-CG 4.26Å; I1459-L1463 WeakPolarHBondContact O-CB 3.37Å; I1459-L1463 VanDerWaalsContact O-CG 3.31Å; I1459-L1463 WeakPolarHBondContact O-CG 3.19Å; I1459-L1463 PolarHBondContact O-N 3.33Å; M1460-L1463 HydrophobicContact CE-CD1 4.47Å; L1463-V1466 PolarHBondContact O-N 3.35Å; L1463-L1467 WeakPolarHBondContact O-CB 3.48Å; L1463-L1467 VanDerWaalsContact O-CG 3.29Å; L1463-L1467 WeakPolarHBondContact O-CG 3.37Å; L1463-L1467 PolarHBondContact O-N 3.23Å |
| 1464 | S | 95.7 | Very high | 93.9 | Very high | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | M1460 L1461 V1462 L1467 V1468 | M1460-S1464 WeakPolarHBondContact O-CB 3.43Å; M1460-S1464 PolarHBondContact O-N 3.32Å; L1461-S1464 PolarHBondContact O-N 3.07Å; V1462-S1464 VanDerWaalsContact C-N 3.28Å; V1462-S1464 PolarHBondContact O-N 3.08Å; S1464-L1467 PolarHBondContact O-N 3.31Å; S1464-V1468 WeakPolarHBondContact O-CB 3.44Å; S1464-V1468 VanDerWaalsContact O-CG2 3.26Å; S1464-V1468 WeakPolarHBondContact O-CG2 3.34Å; S1464-V1468 PolarHBondContact O-N 3.06Å |
| 1465 | T | 94.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 97.9 Ų | 97.9 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 174.8 | 59 | 0 | 0 | 0 | 0 | 113.2 | L1461 V1462 V1468 L1469 | L1461-T1465 HydrophobicContact CD2-CG2 4.16Å; L1461-T1465 WeakPolarHBondContact O-CG2 3.06Å; L1461-T1465 PolarHBondContact O-N 3.3Å; L1461-T1465 PolarHBondContact O-OG1 3.3Å; V1462-T1465 CarbonylContact O-C 3.41Å; V1462-T1465 WeakPolarHBondContact O-CA 3.19Å; V1462-T1465 PolarHBondContact O-N 3.15Å; V1462-T1465 PolarHBondContact O-OG1 2.67Å; T1465-V1468 PolarHBondContact O-N 3.42Å; T1465-L1469 WeakPolarHBondContact O-CB 3.46Å; T1465-L1469 VanDerWaalsContact O-CG 3.27Å; T1465-L1469 WeakPolarHBondContact O-CG 3.13Å; T1465-L1469 PolarHBondContact O-N 3.48Å |
| 1466 | V | 95 | Very high | 93.3 | Very high | 65 Ų | 65 | 103.6 Ų | 103.6 | 39% | 0.394 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 174.5 | 171 | 0 | 0 | 0 | 0 | 110.3 | V1462 L1463 V1468 L1469 I1470 | V1462-V1466 HydrophobicContact CG1-CG2 4.38Å; V1462-V1466 WeakPolarHBondContact O-CG2 3.35Å; V1462-V1466 PolarHBondContact O-N 3.46Å; L1463-V1466 PolarHBondContact O-N 3.35Å; V1466-V1468 VanDerWaalsContact C-N 3.32Å; V1466-V1468 PolarHBondContact O-N 3.43Å; V1466-L1469 CarbonylContact O-C 3.56Å; V1466-L1469 PolarHBondContact O-N 3.49Å; V1466-L1469 VanDerWaalsContact O-N 3.1Å; V1466-I1470 HydrophobicContact CG1-CD1 3.78Å; V1466-I1470 HydrophobicContact CG1-CG1 4.41Å; V1466-I1470 WeakPolarHBondContact O-CB 3.48Å; V1466-I1470 VanDerWaalsContact O-CG1 3.32Å; V1466-I1470 WeakPolarHBondContact O-CG1 3.02Å; V1466-I1470 PolarHBondContact O-N 3.4Å |
| 1467 | L | 96 | Very high | 92.8 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -38.2 | 174.6 | -72.2 | 170.1 | 0 | 0 | 0 | 112.2 | L1463 S1464 W1471 | L1463-L1467 WeakPolarHBondContact O-CB 3.48Å; L1463-L1467 VanDerWaalsContact O-CG 3.29Å; L1463-L1467 WeakPolarHBondContact O-CG 3.37Å; L1463-L1467 PolarHBondContact O-N 3.23Å; S1464-L1467 PolarHBondContact O-N 3.31Å; L1467-W1471 VanDerWaalsContact O-CB 3.24Å; L1467-W1471 WeakPolarHBondContact O-CB 3.37Å; L1467-W1471 PolarHBondContact O-N 3Å |
| 1468 | V | 95 | Very high | 92.1 | Very high | 73 Ų | 73 | 106.4 Ų | 106.4 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 172.7 | 166.6 | 0 | 0 | 0 | 0 | 111.5 | S1464 T1465 V1466 W1471 I1472 | S1464-V1468 WeakPolarHBondContact O-CB 3.44Å; S1464-V1468 VanDerWaalsContact O-CG2 3.26Å; S1464-V1468 WeakPolarHBondContact O-CG2 3.34Å; S1464-V1468 PolarHBondContact O-N 3.06Å; T1465-V1468 PolarHBondContact O-N 3.42Å; V1466-V1468 VanDerWaalsContact C-N 3.32Å; V1466-V1468 PolarHBondContact O-N 3.43Å; V1468-W1471 PolarHBondContact O-N 3.45Å; V1468-I1472 HydrophobicContact CG1-CD1 3.78Å; V1468-I1472 HydrophobicContact CG1-CG1 4.44Å; V1468-I1472 WeakPolarHBondContact O-CB 3.4Å; V1468-I1472 WeakPolarHBondContact O-CG1 3.16Å; V1468-I1472 PolarHBondContact O-N 3.14Å |
| 1469 | L | 94.8 | Very high | 91 | Very high | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 176 | -74.7 | 169.5 | 0 | 0 | 0 | 112.2 | T1465 V1466 I1472 R1473 | T1465-L1469 WeakPolarHBondContact O-CB 3.46Å; T1465-L1469 VanDerWaalsContact O-CG 3.27Å; T1465-L1469 WeakPolarHBondContact O-CG 3.13Å; T1465-L1469 PolarHBondContact O-N 3.48Å; V1466-L1469 CarbonylContact O-C 3.56Å; V1466-L1469 PolarHBondContact O-N 3.49Å; V1466-L1469 VanDerWaalsContact O-N 3.1Å; L1469-I1472 PolarHBondContact O-N 3.24Å; L1469-R1473 WeakPolarHBondContact O-CB 3.21Å; L1469-R1473 PolarHBondContact O-N 3.06Å |
| 1470 | I | 95.2 | Very high | 89.4 | Confident | 101 Ų | 101 | 110.9 Ų | 110.9 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 171.7 | -69.1 | 167.4 | 0 | 0 | 0 | 109.8 | V1466 I1472 R1473 H1474 | V1466-I1470 HydrophobicContact CG1-CD1 3.78Å; V1466-I1470 HydrophobicContact CG1-CG1 4.41Å; V1466-I1470 WeakPolarHBondContact O-CB 3.48Å; V1466-I1470 VanDerWaalsContact O-CG1 3.32Å; V1466-I1470 WeakPolarHBondContact O-CG1 3.02Å; V1466-I1470 PolarHBondContact O-N 3.4Å; I1470-I1472 PolarHBondContact O-N 3.41Å; I1470-R1473 PolarHBondContact O-N 2.84Å; I1470-H1474 WeakPolarHBondContact O-CB 3.49Å; I1470-H1474 PolarHBondContact O-N 3.13Å |
| 1471 | W | 94 | Very high | 87 | Confident | 142 Ų | 142 | 108 Ų | 108 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.4 | -174.2 | 84.6 | 0 | 0 | 0 | 112.6 | L1467 V1468 H1474 R1475 | L1467-W1471 VanDerWaalsContact O-CB 3.24Å; L1467-W1471 WeakPolarHBondContact O-CB 3.37Å; L1467-W1471 PolarHBondContact O-N 3Å; V1468-W1471 PolarHBondContact O-N 3.45Å; W1471-H1474 PolarHBondContact O-N 3.36Å; W1471-R1475 VanDerWaalsContact CH2-CZ 3.48Å; W1471-R1475 VanDerWaalsContact CH2-NH1 3.34Å; W1471-R1475 WeakPolarHBondContact O-CB 3.48Å; W1471-R1475 PolarHBondContact O-N 2.78Å |
| 1472 | I | 92.2 | Very high | 84.4 | Confident | 80 Ų | 80 | 108.1 Ų | 108.1 | 41% | 0.41 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 172.8 | -74 | 166 | 0 | 0 | 0 | 110.7 | V1468 L1469 I1470 R1475 R1476 | V1468-I1472 HydrophobicContact CG1-CD1 3.78Å; V1468-I1472 HydrophobicContact CG1-CG1 4.44Å; V1468-I1472 WeakPolarHBondContact O-CB 3.4Å; V1468-I1472 WeakPolarHBondContact O-CG1 3.16Å; V1468-I1472 PolarHBondContact O-N 3.14Å; L1469-I1472 PolarHBondContact O-N 3.24Å; I1470-I1472 PolarHBondContact O-N 3.41Å; I1472-R1475 PolarHBondContact O-N 2.76Å; I1472-R1476 WeakPolarHBondContact O-CB 3.11Å; I1472-R1476 PolarHBondContact O-N 2.9Å |
| 1473 | R | 90.1 | Very high | 82 | Confident | 189 Ų | 189 | 112.7 Ų | 112.7 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -44.3 | 176.1 | -172.1 | 173.2 | 178 | 131.1 | -5.2 | 111 | L1469 I1470 R1476 N1477 | L1469-R1473 WeakPolarHBondContact O-CB 3.21Å; L1469-R1473 PolarHBondContact O-N 3.06Å; I1470-R1473 PolarHBondContact O-N 2.84Å; R1473-R1476 WeakPolarHBondContact O-CB 3.43Å; R1473-R1476 PolarHBondContact O-N 3.44Å; R1473-N1477 PolarHBondContact O-N 3.39Å; R1473-N1477 PolarHBondContact O-OD1 3.26Å |
| 1474 | H | 88.6 | Confident | 79.4 | Confident | 95 Ų | 95 | 114.3 Ų | 114.3 | 44% | 0.44 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 175.1 | -171.5 | 23 | 0 | 0 | 0 | 111.9 | I1470 W1471 N1477 K1478 | I1470-H1474 WeakPolarHBondContact O-CB 3.49Å; I1470-H1474 PolarHBondContact O-N 3.13Å; W1471-H1474 PolarHBondContact O-N 3.36Å; H1474-N1477 PolarHBondContact O-N 2.9Å; H1474-K1478 WeakPolarHBondContact CE1-CE 3.45Å; H1474-K1478 PolarHBondContact CE1-NZ 2.91Å; H1474-K1478 VanDerWaalsContact CE1-NZ 3.26Å; H1474-K1478 PolarHBondContact NE2-NZ 3.31Å; H1474-K1478 WeakPolarHBondContact O-CB 3.16Å; H1474-K1478 PolarHBondContact O-N 3.45Å |
| 1475 | R | 88 | Confident | 76.7 | Confident | 119 Ų | 119 | 118.4 Ų | 118.4 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -43 | 171.4 | -105.2 | -170.6 | 159.4 | -170.7 | -4.7 | 112 | W1471 I1472 K1478 Y1479 | W1471-R1475 VanDerWaalsContact CH2-CZ 3.48Å; W1471-R1475 VanDerWaalsContact CH2-NH1 3.34Å; W1471-R1475 WeakPolarHBondContact O-CB 3.48Å; W1471-R1475 PolarHBondContact O-N 2.78Å; I1472-R1475 PolarHBondContact O-N 2.76Å; R1475-K1478 CarbonylContact O-C 3.5Å; R1475-K1478 PolarHBondContact O-N 3.36Å; R1475-Y1479 HydrophobicContact CB-CD2 4.36Å; R1475-Y1479 HydrophobicContact CB-CE2 4.46Å; R1475-Y1479 HydrophobicContact CG-CD2 4.34Å; R1475-Y1479 HydrophobicContact CG-CE2 3.96Å; R1475-Y1479 WeakPolarHBondContact O-CB 3.43Å; R1475-Y1479 WeakPolarHBondContact O-CD2 3.35Å; R1475-Y1479 PolarHBondContact O-N 3.49Å |
| 1476 | R | 85.8 | Confident | 74 | Confident | 186 Ų | 186 | 120.7 Ų | 120.7 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.3 | -48.3 | 177.1 | -124.5 | 174.8 | 169.5 | 166.5 | -4.5 | 110.4 | I1472 R1473 K1478 Y1479 S1480 | I1472-R1476 WeakPolarHBondContact O-CB 3.11Å; I1472-R1476 PolarHBondContact O-N 2.9Å; R1473-R1476 WeakPolarHBondContact O-CB 3.43Å; R1473-R1476 PolarHBondContact O-N 3.44Å; R1476-K1478 PolarHBondContact O-N 3.42Å; R1476-Y1479 CarbonylContact O-C 3.59Å; R1476-Y1479 PolarHBondContact O-N 3.16Å; R1476-Y1479 VanDerWaalsContact O-N 3.09Å; R1476-S1480 PolarHBondContact O-N 3.47Å; R1476-S1480 PolarHBondContact O-OG 3.27Å; R1476-S1480 VanDerWaalsContact O-OG 3.13Å |
| 1477 | N | 82.2 | Confident | 71.4 | Confident | 119 Ų | 119 | 125.4 Ų | 125.4 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63 | -38.8 | 176.1 | -71 | 14.5 | 0 | 0 | 0 | 112.4 | R1473 H1474 Y1479 | R1473-N1477 PolarHBondContact O-N 3.39Å; R1473-N1477 PolarHBondContact O-OD1 3.26Å; H1474-N1477 PolarHBondContact O-N 2.9Å; N1477-Y1479 VanDerWaalsContact C-N 3.27Å; N1477-Y1479 PolarHBondContact O-N 3.28Å |
| 1478 | K | 79.7 | Confident | 69 | Low | 146 Ų | 146 | 126.8 Ų | 126.8 | 64% | 0.635 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -13.5 | 174.1 | -87.5 | 175.2 | 168.3 | 158.6 | 0 | 114.9 | H1474 R1475 R1476 | H1474-K1478 WeakPolarHBondContact CE1-CE 3.45Å; H1474-K1478 PolarHBondContact CE1-NZ 2.91Å; H1474-K1478 VanDerWaalsContact CE1-NZ 3.26Å; H1474-K1478 PolarHBondContact NE2-NZ 3.31Å; H1474-K1478 WeakPolarHBondContact O-CB 3.16Å; H1474-K1478 PolarHBondContact O-N 3.45Å; R1475-K1478 CarbonylContact O-C 3.5Å; R1475-K1478 PolarHBondContact O-N 3.36Å; R1476-K1478 PolarHBondContact O-N 3.42Å |
| 1479 | Y | 71.5 | Confident | 66.4 | Low | 171 Ų | 171 | 131.4 Ų | 131.4 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -113.3 | -6.3 | 177.4 | -71.1 | -57.1 | 0 | 0 | 0 | 114.8 | R1475 R1476 N1477 G1481 | R1475-Y1479 HydrophobicContact CB-CD2 4.36Å; R1475-Y1479 HydrophobicContact CB-CE2 4.46Å; R1475-Y1479 HydrophobicContact CG-CD2 4.34Å; R1475-Y1479 HydrophobicContact CG-CE2 3.96Å; R1475-Y1479 WeakPolarHBondContact O-CB 3.43Å; R1475-Y1479 WeakPolarHBondContact O-CD2 3.35Å; R1475-Y1479 PolarHBondContact O-N 3.49Å; R1476-Y1479 CarbonylContact O-C 3.59Å; R1476-Y1479 PolarHBondContact O-N 3.16Å; R1476-Y1479 VanDerWaalsContact O-N 3.09Å; N1477-Y1479 VanDerWaalsContact C-N 3.27Å; N1477-Y1479 PolarHBondContact O-N 3.28Å; Y1479-G1481 PolarHBondContact O-N 3.23Å |
| 1480 | S | 58.5 | Low | 63.9 | Low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | | | trans | -76.3 | 10.5 | 168.3 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | R1476 | R1476-S1480 PolarHBondContact O-N 3.47Å; R1476-S1480 PolarHBondContact O-OG 3.27Å; R1476-S1480 VanDerWaalsContact O-OG 3.13Å |
| 1481 | G | 46 | Very low | 61.6 | Low | 54 Ų | 54 | 132.4 Ų | 132.4 | 56% | 0.557 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -63.9 | 133.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1479 I1483 | Y1479-G1481 PolarHBondContact O-N 3.23Å; G1481-I1483 PolarHBondContact O-N 2.98Å |
| 1482 | S | 40.2 | Very low | 59.1 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | | | trans | -57.7 | 126.1 | -169.9 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1483 | I | 44.9 | Very low | 56.9 | Low | 170 Ų | 170 | 135.4 Ų | 135.4 | 87% | 0.872 | 68% | 0.677 | S | S | * | * | | | trans | -108.9 | 115.6 | 162.4 | -62.8 | 179.2 | 0 | 0 | 0 | 108.1 | G1481 | G1481-I1483 PolarHBondContact O-N 2.98Š|
| 1484 | T | 39.8 | Very low | 54.8 | Low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | | | trans | -115.7 | 118 | 171.4 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1485 | L | 38.3 | Very low | 52.5 | Low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 69% | 0.691 | S | S | * | * | | | trans | -176.4 | 129.3 | 141.5 | -123.1 | 67 | 0 | 0 | 0 | 112.5 | | |
| 1486 | T | 37.4 | Very low | 50.1 | Low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 70% | 0.701 | S | S | * | * | | | trans | 30.7 | 152.4 | 136.7 | 60.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1487 | H | 42 | Very low | 48 | Very low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | trans | 93.3 | 133.4 | 154.8 | -95.8 | -77.6 | 0 | 0 | 0 | 119.3 | | |
| 1488 | I | 45.6 | Very low | 46 | Very low | 145 Ų | 145 | 132 Ų | 132 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | | | trans | 70.9 | 106.5 | 160.6 | -57.3 | 158.9 | 0 | 0 | 0 | 113.9 | | |
| 1489 | E | 39.4 | Very low | 44.1 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | cis | 86.3 | 142.3 | 30.8 | -154.7 | -179.5 | -176.2 | 0 | 0 | 114.8 | | |
| 1490 | E | 42.5 | Very low | 42.6 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | | | trans | 72.8 | 122.9 | 172 | -73.3 | -145.6 | 99.5 | 0 | 0 | 121.8 | K1493 | E1490-K1493 IonicContact OE1-NZ 3.61Š|
| 1491 | N | 46.2 | Very low | 41.8 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 48% | 0.476 | 70% | 0.697 | S | S | . | * | | | trans | 70.9 | 145.9 | 136.1 | -56.9 | -17.2 | 0 | 0 | 0 | 120.5 | K1493 | N1491-K1493 HydrophobicContact CB-CD 4.33Å; N1491-K1493 PolarHBondContact ND2-NZ 3.41Å; N1491-K1493 WeakPolarHBondContact OD1-CD 3.46Å; N1491-K1493 WeakPolarHBondContact OD1-CE 2.96Å; N1491-K1493 PolarHBondContact OD1-NZ 3.43Å |
| 1492 | D | 41.6 | Very low | 41.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | | | cis | -121.1 | 154.4 | 13 | -79.6 | -52.7 | 0 | 0 | 0 | 112.7 | | |
| 1493 | K | 46.2 | Very low | 41.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 60% | 0.596 | 69% | 0.687 | S | S | * | * | | | cis | 87.9 | 68.6 | 28.3 | -66.5 | 178.1 | 170.1 | 155.8 | 0 | 117.3 | E1490 N1491 | E1490-K1493 IonicContact OE1-NZ 3.61Å; N1491-K1493 HydrophobicContact CB-CD 4.33Å; N1491-K1493 PolarHBondContact ND2-NZ 3.41Å; N1491-K1493 WeakPolarHBondContact OD1-CD 3.46Å; N1491-K1493 WeakPolarHBondContact OD1-CE 2.96Å; N1491-K1493 PolarHBondContact OD1-NZ 3.43Å |
| 1494 | N | 46.3 | Very low | 41.3 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | | | trans | -171.1 | 146 | 141.2 | -111 | -40.6 | 0 | 0 | 0 | 108.4 | | |
| 1495 | V | 39.5 | Very low | 41.2 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | cis | -135.8 | 112.3 | 16.5 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1496 | Q | 38.5 | Very low | 41.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | | | | 53 | 129.2 | 129.1 | -54.9 | -178.7 | 26 | 0 | 0 | 124.9 | | |
| 1497 | N | 41.5 | Very low | 41.3 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | | | trans | 65.1 | 149.8 | 132.2 | -60.1 | -15.2 | 0 | 0 | 0 | 120.7 | | |
| 1498 | T | 40.7 | Very low | 41.3 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | | | cis | -175.3 | 159.8 | -17.2 | 30.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1499 | S | 38.9 | Very low | 41 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | cis | -170.5 | -147.8 | -20.1 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1500 | L | 41.4 | Very low | 41.1 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | | | trans | 71.3 | 145.7 | 175.2 | -66.8 | 115.4 | 0 | 0 | 0 | 118.7 | | |
| 1501 | R | 40.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 49% | 0.494 | 70% | 0.696 | S | S | . | * | | | cis | -173.4 | 150.5 | -33 | -131.8 | 164.5 | 165.5 | -93.9 | -7.9 | 114.7 | N346 | N346-R1501 VanDerWaalsContact CG-NH2 3.34Å; N346-R1501 PolarHBondContact OD1-NH2 3.05Å |
| 1502 | R | 38.4 | Very low | 40.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 50% | 0.498 | 70% | 0.703 | S | S | . | * | | | trans | 90.4 | 72.3 | 137.2 | -159.2 | -152.4 | -58.7 | -140.7 | -4.5 | 123.2 | R347 V348 | R347-R1502 VanDerWaalsContact C-NH1 3.32Å; R347-R1502 VanDerWaalsContact O-CZ 3.26Å; R347-R1502 PolarHBondContact O-NH1 2.97Å; R347-R1502 PolarHBondContact O-NH2 3.35Å; V348-R1502 PolarHBondContact O-NH1 3.26Å |
| 1503 | S | 39.5 | Very low | 40.8 | Very low | 93 Ų | 93 | 142 Ų | 142 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | | 44.6 | 135.4 | 106.8 | 78.4 | 0 | 0 | 0 | 0 | 125.3 | | |
| 1504 | R | 42.2 | Very low | 40.6 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | | | trans | 78.6 | 131.8 | 147.8 | -62.9 | 174.8 | -164 | -179.2 | 4.2 | 121.6 | | |
| 1505 | F | 38.9 | Very low | 40.3 | Very low | 206 Ų | 206 | 142 Ų | 142 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | | | | -163.5 | 175.6 | 99.3 | -112.8 | -79.7 | 0 | 0 | 0 | 112.6 | | |
| 1506 | Q | 38.6 | Very low | 40.5 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | | | trans | -140.2 | 154.4 | -172.5 | -82.8 | -176.6 | -39.4 | 0 | 0 | 113.9 | | |
| 1507 | S | 38.3 | Very low | 40.7 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | | | trans | 74.5 | 162 | 162.7 | 84.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1508 | R | 41.4 | Very low | 40.9 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | cis | -165.4 | 166.2 | 26.5 | -141.1 | 177.3 | -156.5 | 159.5 | 3.8 | 112.5 | | |
| 1509 | N | 40.6 | Very low | 40.9 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | | | trans | 74.5 | 168.2 | 159.9 | -56.7 | -13.9 | 0 | 0 | 0 | 120.1 | | |
| 1510 | N | 40.8 | Very low | 41 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | | | | -172.8 | 154 | -60.5 | -138.3 | -9.4 | 0 | 0 | 0 | 113.2 | | |
| 1511 | K | 41.9 | Very low | 41 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | trans | 81.6 | 147.6 | 146.7 | -93.6 | 170.2 | 147.1 | -86.9 | 0 | 124.5 | | |
| 1512 | H | 41.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 63% | 0.625 | 74% | 0.743 | S | S | * | * | | | trans | 77.2 | 123.5 | 165.5 | -63.3 | -56.9 | 0 | 0 | 0 | 117.6 | | |
| 1513 | D | 40.9 | Very low | 41.2 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | cis | 83.9 | 137.7 | 40.2 | -60 | -38.3 | 0 | 0 | 0 | 112.6 | | |
| 1514 | S | 41.9 | Very low | 41.3 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | | | cis | -175 | 170.9 | -12.8 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1515 | F | 40.6 | Very low | 41.3 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | 67.5 | 155.7 | 172.4 | -68 | -91.8 | 0 | 0 | 0 | 118.9 | | |
| 1516 | T | 43.5 | Very low | 41.3 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | cis | -166.1 | 138.5 | -40.1 | 24.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1517 | A | 42.8 | Very low | 41.4 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 67.9 | 160.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 1518 | V | 45.6 | Very low | 41.7 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | trans | 92.1 | 97.9 | 163.8 | -170.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1519 | E | 40.7 | Very low | 41.7 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | trans | 54.1 | 139.8 | 136.5 | -63.5 | 163.8 | -170.8 | 0 | 0 | 123.6 | | |
| 1520 | G | 40.8 | Very low | 41.6 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | 137.4 | 94.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1521 | L | 41.2 | Very low | 41.8 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | | | trans | 61.5 | 120.8 | 147.6 | -62.1 | 168.1 | 0 | 0 | 0 | 122.7 | | |
| 1522 | V | 42.2 | Very low | 41.9 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | | | trans | 69.9 | 121.5 | 131.7 | -178.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1523 | N | 42.4 | Very low | 41.8 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | 40.6 | 105.4 | 153.3 | -57.9 | -0.6 | 0 | 0 | 0 | 120.9 | | |
| 1524 | E | 40.8 | Very low | 42 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | | -173.1 | 162.8 | 104.7 | -104.6 | -153 | 123.6 | 0 | 0 | 113.9 | | |
| 1525 | S | 41.2 | Very low | 41.8 | Very low | 75 Ų | 75 | 141 Ų | 141 | 52% | 0.524 | 78% | 0.779 | S | S | . | * | | | trans | -48.9 | 129.1 | -174 | 60.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1526 | K | 40.3 | Very low | 42.4 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | | 172.9 | 151.7 | 119.3 | -89.8 | 154.3 | -148.9 | 71.9 | 0 | 115.4 | | |
| 1527 | S | 40.2 | Very low | 43.6 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | -38.1 | 142 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1528 | N | 44.1 | Very low | 45.1 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | 176 | 103.1 | 108.6 | -91.9 | -59.8 | 0 | 0 | 0 | 115.8 | | |
| 1529 | K | 42.7 | Very low | 46.4 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | | 46.2 | 103.3 | 122.9 | -166.6 | 172 | -169.9 | 164.1 | 0 | 120.2 | T1531 | K1529-T1531 HydrophobicContact CG-CG2 4.25Š|
| 1530 | S | 38.3 | Very low | 48.1 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -144.4 | 74.3 | 156.2 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1531 | T | 44.7 | Very low | 50.1 | Low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | | 47.3 | 85.7 | 105.8 | 62.3 | 0 | 0 | 0 | 0 | 116.4 | K1529 | K1529-T1531 HydrophobicContact CG-CG2 4.25Š|
| 1532 | N | 43 | Very low | 51.9 | Low | 173 Ų | 173 | 138.6 Ų | 138.6 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | | | trans | -119.5 | 134.9 | 138.2 | -110.9 | -29.4 | 0 | 0 | 0 | 107.1 | | |
| 1533 | S | 39 | Very low | 53.8 | Low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | trans | -111.4 | 103.1 | -164.4 | 65.7 | 0 | 0 | 0 | 0 | 114 | | |
| 1534 | M | 45.1 | Very low | 55.8 | Low | 187 Ų | 187 | 135 Ų | 135 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | | | trans | -86.5 | 155.9 | 146.5 | -74 | -169.5 | 168.7 | 0 | 0 | 109.7 | | |
| 1535 | K | 39.5 | Very low | 58 | Low | 202 Ų | 202 | 130.4 Ų | 130.4 | 88% | 0.878 | 69% | 0.688 | S | S | * | * | | | trans | -102.7 | 88 | -164.4 | -66.6 | 175.5 | -177.3 | 169.3 | 0 | 112 | | |
| 1536 | T | 53.3 | Low | 60.1 | Low | 107 Ų | 107 | 134.9 Ų | 134.9 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | | | trans | -67.5 | 132.6 | 177 | -22.4 | 0 | 0 | 0 | 0 | 111.6 | A1538 | T1536-A1538 PolarHBondContact O-N 3.32Å; T1536-A1538 VanDerWaalsContact O-N 3.08Å |
| 1537 | P | 68.6 | Low | 62.3 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -58 | -24.3 | -175.1 | -29.5 | 36.4 | 0 | 0 | 0 | 116.1 | I1539 Q1540 K1541 | P1537-I1539 VanDerWaalsContact C-N 3.3Å; P1537-I1539 PolarHBondContact O-N 3.39Å; P1537-Q1540 CarbonylContact O-C 3.56Å; P1537-Q1540 WeakPolarHBondContact O-CA 2.9Å; P1537-Q1540 WeakPolarHBondContact O-CB 3Å; P1537-Q1540 PolarHBondContact O-N 3.3Å; P1537-K1541 PolarHBondContact O-N 3.4Å |
| 1538 | A | 73 | Confident | 64.6 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -55.2 | -37.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1536 Q1540 R1542 | T1536-A1538 PolarHBondContact O-N 3.32Å; T1536-A1538 VanDerWaalsContact O-N 3.08Å; A1538-Q1540 VanDerWaalsContact C-N 3.32Å; A1538-Q1540 PolarHBondContact O-N 2.98Å; A1538-R1542 VanDerWaalsContact O-CB 3.3Å; A1538-R1542 WeakPolarHBondContact O-CB 3.12Å; A1538-R1542 PolarHBondContact O-N 3.45Å |
| 1539 | I | 72.9 | Confident | 66.8 | Low | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.9 | -34 | 176.4 | -63.9 | 179.5 | 0 | 0 | 0 | 110.8 | P1537 L1543 | P1537-I1539 VanDerWaalsContact C-N 3.3Å; P1537-I1539 PolarHBondContact O-N 3.39Å; I1539-L1543 WeakPolarHBondContact O-CB 3.43Å; I1539-L1543 PolarHBondContact O-N 3.19Å |
| 1540 | Q | 77.1 | Confident | 68.9 | Low | 142 Ų | 142 | 132.5 Ų | 132.5 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.8 | -49.3 | 175.7 | -167.5 | 159.7 | -53.7 | 0 | 0 | 111 | P1537 A1538 R1542 L1543 E1544 | P1537-Q1540 CarbonylContact O-C 3.56Å; P1537-Q1540 WeakPolarHBondContact O-CA 2.9Å; P1537-Q1540 WeakPolarHBondContact O-CB 3Å; P1537-Q1540 PolarHBondContact O-N 3.3Å; A1538-Q1540 VanDerWaalsContact C-N 3.32Å; A1538-Q1540 PolarHBondContact O-N 2.98Å; Q1540-R1542 PolarHBondContact O-N 3.38Å; Q1540-L1543 PolarHBondContact O-N 3.4Å; Q1540-L1543 VanDerWaalsContact O-N 3.11Å; Q1540-E1544 VanDerWaalsContact O-CB 3.27Å; Q1540-E1544 WeakPolarHBondContact O-CB 3.32Å; Q1540-E1544 PolarHBondContact O-N 2.94Å |
| 1541 | K | 81.6 | Confident | 71.2 | Confident | 170 Ų | 170 | 131.4 Ų | 131.4 | 74% | 0.739 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -51.2 | -43.2 | 170.7 | -83.5 | -170.1 | 175 | -177.4 | 0 | 111.1 | P1537 E1544 L1545 | P1537-K1541 PolarHBondContact O-N 3.4Å; K1541-E1544 PolarHBondContact O-N 3.3Å; K1541-L1545 WeakPolarHBondContact O-CB 3.12Å; K1541-L1545 PolarHBondContact O-N 2.65Å |
| 1542 | R | 79.3 | Confident | 73.2 | Confident | 174 Ų | 174 | 133.5 Ų | 133.5 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.2 | -32.4 | 179.4 | -158.6 | 173.7 | -165 | 179.4 | 6.8 | 114.2 | A1538 Q1540 R1546 | A1538-R1542 VanDerWaalsContact O-CB 3.3Å; A1538-R1542 WeakPolarHBondContact O-CB 3.12Å; A1538-R1542 PolarHBondContact O-N 3.45Å; Q1540-R1542 PolarHBondContact O-N 3.38Å; R1542-R1546 WeakPolarHBondContact O-CG 3.01Å; R1542-R1546 PolarHBondContact O-N 3.02Å; R1542-R1546 VanDerWaalsContact O-N 3.1Å |
| 1543 | L | 83.8 | Confident | 75 | Confident | 92 Ų | 92 | 128 Ų | 128 | 48% | 0.482 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.6 | -37.5 | 172.9 | -157.3 | 89.9 | 0 | 0 | 0 | 111.2 | I1539 Q1540 R1546 R1547 | I1539-L1543 WeakPolarHBondContact O-CB 3.43Å; I1539-L1543 PolarHBondContact O-N 3.19Å; Q1540-L1543 PolarHBondContact O-N 3.4Å; Q1540-L1543 VanDerWaalsContact O-N 3.11Å; L1543-R1546 PolarHBondContact O-N 2.95Å; L1543-R1547 WeakPolarHBondContact O-CG 3.26Å; L1543-R1547 PolarHBondContact O-N 3.07Å |
| 1544 | E | 83.2 | Confident | 77.2 | Confident | 96 Ų | 96 | 129.9 Ų | 129.9 | 45% | 0.449 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.8 | -45.7 | 175 | -166.6 | 114.7 | -118.2 | 0 | 0 | 111.3 | Q1540 K1541 R1546 R1547 K1548 | Q1540-E1544 VanDerWaalsContact O-CB 3.27Å; Q1540-E1544 WeakPolarHBondContact O-CB 3.32Å; Q1540-E1544 PolarHBondContact O-N 2.94Å; K1541-E1544 PolarHBondContact O-N 3.3Å; E1544-R1546 VanDerWaalsContact C-N 3.34Å; E1544-R1546 PolarHBondContact O-N 3.5Å; E1544-R1547 CarbonylContact O-C 3.57Å; E1544-R1547 WeakPolarHBondContact O-CA 3.34Å; E1544-R1547 WeakPolarHBondContact O-CB 3.33Å; E1544-R1547 PolarHBondContact O-N 3.21Å; E1544-R1547 VanDerWaalsContact O-N 3.09Å; E1544-K1548 PolarHBondContact O-N 3.33Å |
| 1545 | L | 86.2 | Confident | 79 | Confident | 93 Ų | 93 | 125.8 Ų | 125.8 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.9 | -44.3 | 172.8 | -168.8 | 73.4 | 0 | 0 | 0 | 111.1 | K1541 R1547 K1548 Q1549 | K1541-L1545 WeakPolarHBondContact O-CB 3.12Å; K1541-L1545 PolarHBondContact O-N 2.65Å; L1545-R1547 VanDerWaalsContact C-N 3.33Å; L1545-R1547 PolarHBondContact O-N 2.79Å; L1545-K1548 PolarHBondContact O-N 3.05Å; L1545-Q1549 WeakPolarHBondContact O-CB 3.19Å; L1545-Q1549 VanDerWaalsContact O-CG 3.32Å; L1545-Q1549 WeakPolarHBondContact O-CG 3.14Å; L1545-Q1549 PolarHBondContact O-N 3.43Å |
| 1546 | R | 86.4 | Confident | 80.9 | Confident | 168 Ų | 168 | 120.9 Ų | 120.9 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64 | -34.1 | 174.1 | -77.9 | -178.2 | 174 | -170.3 | -1.1 | 112.9 | R1542 L1543 E1544 H1550 | R1542-R1546 WeakPolarHBondContact O-CG 3.01Å; R1542-R1546 PolarHBondContact O-N 3.02Å; R1542-R1546 VanDerWaalsContact O-N 3.1Å; L1543-R1546 PolarHBondContact O-N 2.95Å; E1544-R1546 VanDerWaalsContact C-N 3.34Å; E1544-R1546 PolarHBondContact O-N 3.5Å; R1546-H1550 VanDerWaalsContact O-CB 3.26Å; R1546-H1550 WeakPolarHBondContact O-CB 3.23Å; R1546-H1550 PolarHBondContact O-N 3.16Å |
| 1547 | R | 86.4 | Confident | 82 | Confident | 160 Ų | 160 | 118.2 Ų | 118.2 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.4 | -48.7 | 171.9 | -75.5 | 173.2 | 176.8 | -175 | -0.1 | 111.3 | L1543 E1544 L1545 Q1549 H1550 V1551 | L1543-R1547 WeakPolarHBondContact O-CG 3.26Å; L1543-R1547 PolarHBondContact O-N 3.07Å; E1544-R1547 CarbonylContact O-C 3.57Å; E1544-R1547 WeakPolarHBondContact O-CA 3.34Å; E1544-R1547 WeakPolarHBondContact O-CB 3.33Å; E1544-R1547 PolarHBondContact O-N 3.21Å; E1544-R1547 VanDerWaalsContact O-N 3.09Å; L1545-R1547 VanDerWaalsContact C-N 3.33Å; L1545-R1547 PolarHBondContact O-N 2.79Å; R1547-Q1549 PolarHBondContact O-N 3.38Å; R1547-H1550 PolarHBondContact O-N 3.33Å; R1547-V1551 WeakPolarHBondContact O-CB 3.42Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.24Å; R1547-V1551 PolarHBondContact O-N 3.39Å |
| 1548 | K | 89.3 | Confident | 82.2 | Confident | 148 Ų | 148 | 119.5 Ų | 119.5 | 64% | 0.643 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.6 | -46 | 175.4 | -72.7 | -176 | 177.6 | -176 | 0 | 111.1 | E1544 L1545 V1551 K1552 | E1544-K1548 PolarHBondContact O-N 3.33Å; L1545-K1548 PolarHBondContact O-N 3.05Å; K1548-V1551 PolarHBondContact O-N 2.85Å; K1548-K1552 WeakPolarHBondContact O-CB 3.34Å; K1548-K1552 PolarHBondContact O-N 2.65Å |
| 1549 | Q | 88.7 | Confident | 82.2 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -45.2 | 175.6 | -74.9 | 176.6 | -15.4 | 0 | 0 | 112.6 | L1545 R1547 V1551 K1552 A1553 | L1545-Q1549 WeakPolarHBondContact O-CB 3.19Å; L1545-Q1549 VanDerWaalsContact O-CG 3.32Å; L1545-Q1549 WeakPolarHBondContact O-CG 3.14Å; L1545-Q1549 PolarHBondContact O-N 3.43Å; R1547-Q1549 PolarHBondContact O-N 3.38Å; Q1549-V1551 VanDerWaalsContact C-N 3.32Å; Q1549-V1551 PolarHBondContact O-N 3.35Å; Q1549-K1552 PolarHBondContact O-N 3.07Å; Q1549-A1553 VanDerWaalsContact O-CB 3.27Å; Q1549-A1553 WeakPolarHBondContact O-CB 3.41Å; Q1549-A1553 PolarHBondContact O-N 3.14Å |
| 1550 | H | 86.7 | Confident | 82.2 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.1 | -34.3 | 177.6 | -167.8 | -31.7 | 0 | 0 | 0 | 111.8 | R1546 R1547 K1554 | R1546-H1550 VanDerWaalsContact O-CB 3.26Å; R1546-H1550 WeakPolarHBondContact O-CB 3.23Å; R1546-H1550 PolarHBondContact O-N 3.16Å; R1547-H1550 PolarHBondContact O-N 3.33Å; H1550-K1554 WeakPolarHBondContact O-CB 3.22Å; H1550-K1554 PolarHBondContact O-N 3.07Å |
| 1551 | V | 87.1 | Confident | 81.6 | Confident | 86 Ų | 86 | 116.6 Ų | 116.6 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68 | -48.7 | 172.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | R1547 K1548 Q1549 A1553 K1554 I1555 | R1547-V1551 WeakPolarHBondContact O-CB 3.42Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.24Å; R1547-V1551 PolarHBondContact O-N 3.39Å; K1548-V1551 PolarHBondContact O-N 2.85Å; Q1549-V1551 VanDerWaalsContact C-N 3.32Å; Q1549-V1551 PolarHBondContact O-N 3.35Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; V1551-A1553 PolarHBondContact O-N 3.29Å; V1551-K1554 PolarHBondContact O-N 3.26Å; V1551-K1554 VanDerWaalsContact O-N 3.13Å; V1551-I1555 HydrophobicContact CG1-CD1 3.74Å; V1551-I1555 HydrophobicContact CG1-CG1 4.4Å; V1551-I1555 WeakPolarHBondContact O-CG1 3.14Å; V1551-I1555 PolarHBondContact O-N 2.84Å |
| 1552 | K | 87.4 | Confident | 80.9 | Confident | 150 Ų | 150 | 114.9 Ų | 114.9 | 65% | 0.652 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.2 | -42.9 | 177.2 | -168.8 | 170.8 | -176.3 | 174.1 | 0 | 111.8 | K1548 Q1549 I1555 L1556 | K1548-K1552 WeakPolarHBondContact O-CB 3.34Å; K1548-K1552 PolarHBondContact O-N 2.65Å; Q1549-K1552 PolarHBondContact O-N 3.07Å; K1552-I1555 PolarHBondContact O-N 3.26Å; K1552-L1556 HydrophobicContact CG-CD1 4.17Å; K1552-L1556 WeakPolarHBondContact O-CB 3.27Å; K1552-L1556 WeakPolarHBondContact O-CG 3.48Å; K1552-L1556 PolarHBondContact O-N 3.3Å |
| 1553 | A | 81.5 | Confident | 80 | Confident | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1549 V1551 L1556 A1557 | Q1549-A1553 VanDerWaalsContact O-CB 3.27Å; Q1549-A1553 WeakPolarHBondContact O-CB 3.41Å; Q1549-A1553 PolarHBondContact O-N 3.14Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; V1551-A1553 PolarHBondContact O-N 3.29Å; A1553-L1556 PolarHBondContact O-N 3.34Å; A1553-A1557 VanDerWaalsContact O-CB 3.31Å; A1553-A1557 WeakPolarHBondContact O-CB 3.11Å; A1553-A1557 PolarHBondContact O-N 3.1Å |
| 1554 | K | 85.1 | Confident | 78.4 | Confident | 150 Ų | 150 | 111.6 Ų | 111.6 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.4 | -34.7 | 177 | -166.2 | 175.1 | -174.8 | -177.7 | 0 | 112.2 | H1550 V1551 H1558 | H1550-K1554 WeakPolarHBondContact O-CB 3.22Å; H1550-K1554 PolarHBondContact O-N 3.07Å; V1551-K1554 PolarHBondContact O-N 3.26Å; V1551-K1554 VanDerWaalsContact O-N 3.13Å; K1554-H1558 WeakPolarHBondContact O-CB 3.5Å; K1554-H1558 PolarHBondContact O-N 3.44Å; K1554-H1558 VanDerWaalsContact O-N 3.11Å |
| 1555 | I | 82.1 | Confident | 76.5 | Confident | 101 Ų | 101 | 114.1 Ų | 114.1 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.2 | -48.5 | 172.1 | -68.4 | 169.2 | 0 | 0 | 0 | 110.2 | V1551 K1552 A1557 H1558 E1559 | V1551-I1555 HydrophobicContact CG1-CD1 3.74Å; V1551-I1555 HydrophobicContact CG1-CG1 4.4Å; V1551-I1555 WeakPolarHBondContact O-CG1 3.14Å; V1551-I1555 PolarHBondContact O-N 2.84Å; K1552-I1555 PolarHBondContact O-N 3.26Å; I1555-A1557 VanDerWaalsContact C-N 3.34Å; I1555-A1557 PolarHBondContact O-N 3.09Å; I1555-H1558 CarbonylContact O-C 3.54Å; I1555-H1558 WeakPolarHBondContact O-CA 3.3Å; I1555-H1558 PolarHBondContact O-N 3.33Å; I1555-E1559 PolarHBondContact O-N 2.86Å |
| 1556 | L | 80 | Confident | 74.5 | Confident | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.4 | -39.1 | 177.8 | -76.3 | 168.3 | 0 | 0 | 0 | 112.6 | K1552 A1553 H1558 E1559 A1560 | K1552-L1556 HydrophobicContact CG-CD1 4.17Å; K1552-L1556 WeakPolarHBondContact O-CB 3.27Å; K1552-L1556 WeakPolarHBondContact O-CG 3.48Å; K1552-L1556 PolarHBondContact O-N 3.3Å; A1553-L1556 PolarHBondContact O-N 3.34Å; L1556-H1558 VanDerWaalsContact C-N 3.32Å; L1556-H1558 PolarHBondContact O-N 3.07Å; L1556-E1559 PolarHBondContact O-N 2.75Å; L1556-A1560 VanDerWaalsContact O-CB 3.22Å; L1556-A1560 WeakPolarHBondContact O-CB 3.23Å; L1556-A1560 PolarHBondContact O-N 3.43Å |
| 1557 | A | 75.7 | Confident | 72.2 | Confident | 52 Ų | 52 | 114.6 Ų | 114.6 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.1 | -38.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1553 I1555 L1561 | A1553-A1557 VanDerWaalsContact O-CB 3.31Å; A1553-A1557 WeakPolarHBondContact O-CB 3.11Å; A1553-A1557 PolarHBondContact O-N 3.1Å; I1555-A1557 VanDerWaalsContact C-N 3.34Å; I1555-A1557 PolarHBondContact O-N 3.09Å; A1557-L1561 WeakPolarHBondContact O-CB 3.28Å; A1557-L1561 WeakPolarHBondContact O-CD1 3.48Å; A1557-L1561 VanDerWaalsContact O-CG 3.23Å; A1557-L1561 WeakPolarHBondContact O-CG 3.11Å; A1557-L1561 PolarHBondContact O-N 2.75Å |
| 1558 | H | 73.8 | Confident | 70.2 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.9 | -32.5 | 178.4 | -155 | -54.4 | 0 | 0 | 0 | 113 | K1554 I1555 L1556 L1562 | K1554-H1558 WeakPolarHBondContact O-CB 3.5Å; K1554-H1558 PolarHBondContact O-N 3.44Å; K1554-H1558 VanDerWaalsContact O-N 3.11Å; I1555-H1558 CarbonylContact O-C 3.54Å; I1555-H1558 WeakPolarHBondContact O-CA 3.3Å; I1555-H1558 PolarHBondContact O-N 3.33Å; L1556-H1558 VanDerWaalsContact C-N 3.32Å; L1556-H1558 PolarHBondContact O-N 3.07Å; H1558-L1562 VanDerWaalsContact ND1-CD1 3.34Å; H1558-L1562 WeakPolarHBondContact ND1-CD1 3.44Å; H1558-L1562 WeakPolarHBondContact O-CB 3.03Å; H1558-L1562 WeakPolarHBondContact O-CG 3.39Å; H1558-L1562 PolarHBondContact O-N 3.49Å |
| 1559 | E | 73 | Confident | 67.9 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 42% | 0.416 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.9 | -36.1 | 173.9 | -168.8 | 174.9 | -169.4 | 0 | 0 | 111.2 | R4 I1555 L1556 L1562 S1563 | R4-E1559 IonicContact NH2-OE1 3.7Å; R4-E1559 PolarHBondContact NH2-OE1 2.8Å; I1555-E1559 PolarHBondContact O-N 2.86Å; L1556-E1559 PolarHBondContact O-N 2.75Å; E1559-L1562 CarbonylContact O-C 3.6Å; E1559-L1562 PolarHBondContact O-N 3.38Å; E1559-S1563 WeakPolarHBondContact O-CB 3.3Å; E1559-S1563 PolarHBondContact O-N 2.82Å |
| 1560 | A | 71.4 | Confident | 65.5 | Low | 63 Ų | 63 | 111.1 Ų | 111.1 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1556 L1562 S1563 | L1556-A1560 VanDerWaalsContact O-CB 3.22Å; L1556-A1560 WeakPolarHBondContact O-CB 3.23Å; L1556-A1560 PolarHBondContact O-N 3.43Å; A1560-L1562 VanDerWaalsContact C-N 3.34Å; A1560-S1563 WeakPolarHBondContact O-CB 3.03Å; A1560-S1563 PolarHBondContact O-N 3.29Å |
| 1561 | L | 65.5 | Low | 63.2 | Low | 136 Ų | 136 | 112 Ų | 112 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.1 | -25.1 | 175.3 | -72.2 | 169.2 | 0 | 0 | 0 | 113.4 | A1557 S1563 | A1557-L1561 WeakPolarHBondContact O-CB 3.28Å; A1557-L1561 WeakPolarHBondContact O-CD1 3.48Å; A1557-L1561 VanDerWaalsContact O-CG 3.23Å; A1557-L1561 WeakPolarHBondContact O-CG 3.11Å; A1557-L1561 PolarHBondContact O-N 2.75Å; L1561-S1563 VanDerWaalsContact C-N 3.3Å |
| 1562 | L | 66.1 | Low | 60.9 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 5 | 171.8 | -72.4 | 172.3 | 0 | 0 | 0 | 113.4 | H1558 E1559 A1560 | H1558-L1562 VanDerWaalsContact ND1-CD1 3.34Å; H1558-L1562 WeakPolarHBondContact ND1-CD1 3.44Å; H1558-L1562 WeakPolarHBondContact O-CB 3.03Å; H1558-L1562 WeakPolarHBondContact O-CG 3.39Å; H1558-L1562 PolarHBondContact O-N 3.49Å; E1559-L1562 CarbonylContact O-C 3.6Å; E1559-L1562 PolarHBondContact O-N 3.38Å; A1560-L1562 VanDerWaalsContact C-N 3.34Å |
| 1563 | S | 60.6 | Low | 58.5 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -4.9 | -175.1 | -125.8 | 0 | 0 | 0 | 0 | 114.9 | E1559 A1560 L1561 | E1559-S1563 WeakPolarHBondContact O-CB 3.3Å; E1559-S1563 PolarHBondContact O-N 2.82Å; A1560-S1563 WeakPolarHBondContact O-CB 3.03Å; A1560-S1563 PolarHBondContact O-N 3.29Å; L1561-S1563 VanDerWaalsContact C-N 3.3Å |
| 1564 | T | 50.2 | Low | 56.2 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | | | trans | -134.1 | 46.5 | -164.6 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1565 | D | 44.5 | Very low | 54 | Low | 149 Ų | 149 | 115.4 Ų | 115.4 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -140.6 | 141.1 | 154.7 | -71.1 | -54.9 | 0 | 0 | 0 | 106.4 | | |
| 1566 | D | 42.9 | Very low | 51.8 | Low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | | | cis | -119.3 | 154.5 | 3.1 | -100.3 | -67.1 | 0 | 0 | 0 | 111.6 | | |
| 1567 | C | 39.4 | Very low | 50 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 93% | 0.926 | 72% | 0.721 | S | S | * | * | | | trans | -134.1 | 86.6 | 166.2 | -85.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1568 | S | 43 | Very low | 48.3 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -136 | 52.2 | -171.8 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1569 | S | 41.8 | Very low | 47 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | trans | -151.9 | 90.6 | 160.1 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1570 | C | 37.2 | Very low | 45.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -104.7 | 129.5 | 168.9 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1571 | D | 38.1 | Very low | 44.2 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | -157.2 | 157.4 | 133.6 | -139.1 | -27.1 | 0 | 0 | 0 | 112.9 | | |
| 1572 | C | 40.3 | Very low | 43.4 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 31.4 | 114 | 161.1 | -69.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1573 | G | 36.6 | Very low | 41.8 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | cis | 125.2 | 110 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1574 | F | 33.9 | Very low | 40.6 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -150.1 | 144.1 | 166 | -112.8 | -80.8 | 0 | 0 | 0 | 110.5 | | |
| 1575 | T | 37.4 | Very low | 39.7 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -140.1 | 131 | -172.9 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1576 | F | 36.1 | Very low | 39.3 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -157 | 101.9 | 157.9 | -90.9 | -79.2 | 0 | 0 | 0 | 106.9 | | |
| 1577 | K | 42.8 | Very low | 38.9 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | | 61.9 | 93.5 | 69.7 | -78.7 | -169.4 | 170.1 | 179.2 | 0 | 116.3 | | |
| 1578 | S | 40.5 | Very low | 38.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | | -165.3 | 157.2 | 127.1 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1579 | P | 45.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -134.1 | 164.9 | -138.4 | 42 | -27.5 | 0 | 0 | 0 | 119.2 | | |
| 1580 | S | 43.2 | Very low | 38.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 67.2 | 159 | 150.3 | 63.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1581 | P | 43.4 | Very low | 38.6 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | cis | -111.7 | -172 | -1.4 | 46 | -35.5 | 0 | 0 | 0 | 111.2 | | |
| 1582 | E | 47.1 | Very low | 38.8 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | cis | -149.9 | -166.9 | -11.4 | -137.9 | -6.5 | 93.4 | 0 | 0 | 110.2 | | |
| 1583 | R | 33.9 | Very low | 39 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -137.9 | 148.9 | 172.1 | -73.5 | -178.1 | 168 | -173.6 | -5.6 | 115.3 | | |
| 1584 | L | 34.3 | Very low | 38.9 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | | | trans | -120.6 | 135.2 | 148.3 | -86 | 169.8 | 0 | 0 | 0 | 109 | | |
| 1585 | C | 31.5 | Very low | 39.4 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | | | trans | -144.7 | 130.9 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1586 | L | 36.2 | Very low | 39.2 | Very low | 179 Ų | 179 | 145 Ų | 145 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -137.7 | 148.5 | 161.6 | -79.6 | 176.7 | 0 | 0 | 0 | 108.8 | | |
| 1587 | T | 33.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | -149.6 | 135.6 | -159.2 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1588 | S | 35.7 | Very low | 39.2 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | 68.4 | 161.2 | 161.5 | 81.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1589 | N | 37 | Very low | 39.1 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | -153.7 | 144.4 | 15.4 | -145.2 | -0.3 | 0 | 0 | 0 | 114.2 | D1591 | N1589-D1591 PolarHBondContact O-N 3.13Š|
| 1590 | L | 40 | Very low | 38.6 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 19.1 | 82.6 | 153.1 | -66.6 | 163.6 | 0 | 0 | 0 | 119.9 | | |
| 1591 | D | 42.2 | Very low | 38.4 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | | 179.1 | 101.6 | 126.7 | -105.7 | -14.1 | 0 | 0 | 0 | 111 | N1589 | N1589-D1591 PolarHBondContact O-N 3.13Š|
| 1592 | N | 43 | Very low | 38.2 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 61.3 | 163.2 | -176.8 | -57.2 | -57.5 | 0 | 0 | 0 | 116.9 | | |
| 1593 | D | 45.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 43.5 | 77.5 | 165 | -57.4 | -14.6 | 0 | 0 | 0 | 118.7 | I1595 | D1593-I1595 HydrophobicContact CB-CG1 4.41Å; D1593-I1595 PolarHBondContact O-N 2.81Å |
| 1594 | V | 34.5 | Very low | 38 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -77 | 87.9 | 161.7 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1595 | I | 43.1 | Very low | 38.4 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | trans | -78.9 | 118.5 | 174.4 | -59 | 175.8 | 0 | 0 | 0 | 109.5 | D1593 T1597 | D1593-I1595 HydrophobicContact CB-CG1 4.41Å; D1593-I1595 PolarHBondContact O-N 2.81Å; I1595-T1597 HydrophobicContact CG2-CG2 3.78Å; I1595-T1597 PolarHBondContact O-N 3.34Å |
| 1596 | L | 33.7 | Very low | 39.2 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -90.6 | 70.8 | 179 | -149.4 | 101.8 | 0 | 0 | 0 | 112 | G1598 | L1596-G1598 PolarHBondContact O-N 3.23Š|
| 1597 | T | 42.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -89.5 | 78.2 | 178.6 | 29.5 | 0 | 0 | 0 | 0 | 112.9 | I1595 | I1595-T1597 HydrophobicContact CG2-CG2 3.78Å; I1595-T1597 PolarHBondContact O-N 3.34Å |
| 1598 | G | 35.4 | Very low | 40 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | -93.7 | 100.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1596 W1600 | L1596-G1598 PolarHBondContact O-N 3.23Å; G1598-W1600 PolarHBondContact O-N 3.39Å |
| 1599 | A | 38.2 | Very low | 40.7 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -75.8 | 113.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | R1601 | A1599-R1601 PolarHBondContact O-N 3.29Š|
| 1600 | W | 36 | Very low | 41 | Very low | 231 Ų | 231 | 148.7 Ų | 148.7 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | | | trans | -79.5 | 112.2 | 162.5 | -109.3 | 64.6 | 0 | 0 | 0 | 109.6 | G1598 | G1598-W1600 PolarHBondContact O-N 3.39Š|
| 1601 | R | 38.2 | Very low | 41.4 | Very low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -107.8 | 89.2 | 179.8 | -174.9 | -170.8 | -121.5 | -123.8 | 0.1 | 109.8 | A1599 | A1599-R1601 PolarHBondContact O-N 3.29Š|
| 1602 | R | 41.1 | Very low | 41.4 | Very low | 223 Ų | 223 | 147.9 Ų | 147.9 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 141.4 | 160.4 | -76.6 | -167.4 | 176.4 | -145.7 | 2.6 | 108.5 | | |
| 1603 | Q | 37.5 | Very low | 41.4 | Very low | 159 Ų | 159 | 150 Ų | 150 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -101.3 | 114.6 | -178.4 | -64.4 | 174.3 | -105.4 | 0 | 0 | 109.4 | | |
| 1604 | S | 38.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -71.5 | 141.9 | 147.1 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1605 | S | 42.8 | Very low | 41.5 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -145.6 | 72.5 | -175.6 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1606 | D | 48.8 | Very low | 41.3 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | | | trans | -127.6 | 135.2 | 155.8 | -162.1 | -5.1 | 0 | 0 | 0 | 109.4 | | |
| 1607 | S | 39.8 | Very low | 41.6 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -167.7 | 103.4 | -177.1 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1608 | G | 47.8 | Very low | 41.3 | Very low | 74 Ų | 74 | 153.5 Ų | 153.5 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -164.5 | 145.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1609 | D | 49.4 | Very low | 41.5 | Very low | 156 Ų | 156 | 156 Ų | 156 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | cis | -146.9 | 161.2 | -7.2 | -171.6 | 13.5 | 0 | 0 | 0 | 109.4 | | |
| 1610 | R | 43.7 | Very low | 41.7 | Very low | 228 Ų | 228 | 157.8 Ų | 157.8 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -114.8 | 122.2 | -169.5 | -89.4 | -178.4 | 165.9 | -178.7 | -2.6 | 114.2 | | |
| 1611 | K | 48.3 | Very low | 41.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -141.9 | 128 | 152.3 | -64.6 | 177.5 | -174.2 | 153.6 | 0 | 109.6 | | |
| 1612 | S | 42.4 | Very low | 41.9 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | cis | 103.4 | 80 | 14 | -174.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1613 | Q | 42.2 | Very low | 41.9 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | -170.5 | 129.2 | 140.3 | -103.3 | 162.5 | 26.6 | 0 | 0 | 107.8 | | |
| 1614 | I | 41.7 | Very low | 42.1 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | cis | 104.3 | 115.8 | 18.4 | -62.6 | 175.3 | 0 | 0 | 0 | 114.4 | | |
| 1615 | N | 41.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 68.2 | 101.8 | 159.7 | -67.9 | -10.2 | 0 | 0 | 0 | 121.4 | | |
| 1616 | Q | 37.5 | Very low | 42.6 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | | | | 33.1 | 143.9 | 110.9 | -66 | -169.5 | -5.3 | 0 | 0 | 121.5 | | |
| 1617 | N | 40.7 | Very low | 42.4 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | 107.4 | 131.6 | 130.5 | -106.5 | -50 | 0 | 0 | 0 | 119.9 | | |
| 1618 | R | 37.2 | Very low | 42.5 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | | | trans | 85.8 | 112.3 | 148.7 | -74.7 | -175.6 | 157.2 | -165.3 | -5.6 | 122.7 | | |
| 1619 | I | 39.7 | Very low | 42.3 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | 86.5 | 116.3 | 116.4 | -71.8 | 173.3 | 0 | 0 | 0 | 119.7 | | |
| 1620 | N | 41.3 | Very low | 42.2 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | trans | 73.2 | 112.6 | 141.2 | -71 | 20.3 | 0 | 0 | 0 | 123.5 | | |
| 1621 | T | 39.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | | 86.8 | 132.7 | 108.4 | -58 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1622 | A | 39.6 | Very low | 41.8 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | | | trans | 78.8 | 120.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1623 | E | 40.8 | Very low | 41.9 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | trans | 67 | 149.8 | 134.7 | -59.1 | 165.6 | -168.7 | 0 | 0 | 117.2 | | |
| 1624 | H | 41.4 | Very low | 41.9 | Very low | 146 Ų | 146 | 138 Ų | 138 | 68% | 0.676 | 70% | 0.702 | S | S | * | * | | | cis | -165.1 | 120.4 | 31 | -154.6 | -92.6 | 0 | 0 | 0 | 111.2 | | |
| 1625 | I | 46.4 | Very low | 41.9 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | 75.1 | 136.9 | 139.1 | -104.1 | 178.6 | 0 | 0 | 0 | 123.7 | | |
| 1626 | N | 44.8 | Very low | 42 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | 69.8 | 145.9 | 157.7 | -67.4 | 34.8 | 0 | 0 | 0 | 120 | | |
| 1627 | D | 44.2 | Very low | 42.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | | | cis | -163.6 | 163.6 | -7 | -106.7 | -13.5 | 0 | 0 | 0 | 112 | | |
| 1628 | R | 41.6 | Very low | 42.1 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | | | trans | 75.3 | 115.6 | 171.5 | -55.9 | -149.6 | 107.5 | 86 | 15.6 | 116.1 | | |
| 1629 | E | 44.9 | Very low | 42.3 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 62% | 0.617 | 71% | 0.705 | S | S | * | * | | | | 83.8 | 131.2 | 59.5 | -74.1 | 168 | -158.4 | 0 | 0 | 112.9 | | |
| 1630 | D | 46 | Very low | 42.3 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | | | cis | 177 | 158.7 | -34.1 | -97.7 | -36.7 | 0 | 0 | 0 | 106.1 | | |
| 1631 | E | 44.1 | Very low | 42.2 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | | | cis | -109.1 | -169.6 | -1.3 | -90.5 | -154.3 | 66.7 | 0 | 0 | 109.8 | | |
| 1632 | L | 40.1 | Very low | 42.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | cis | 68.5 | 158.7 | 27.6 | -78.8 | 171.7 | 0 | 0 | 0 | 114.7 | V1634 | L1632-V1634 HydrophobicContact CD2-CG2 4.42Š|
| 1633 | P | 43.9 | Very low | 42 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | | | cis | -135.9 | 144.9 | -4.5 | 31.8 | -10.2 | 0 | 0 | 0 | 118.4 | | |
| 1634 | V | 42.4 | Very low | 42 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | | | | 67.8 | 131.3 | 126.9 | 179.2 | 0 | 0 | 0 | 0 | 123 | L1632 | L1632-V1634 HydrophobicContact CD2-CG2 4.42Š|
| 1635 | V | 43.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | -77.2 | 150.4 | 166.4 | -155.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1636 | P | 43.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | | | | -142.7 | 162 | 120.1 | 37.9 | -24.6 | 0 | 0 | 0 | 115.8 | | |
| 1637 | S | 39.8 | Very low | 41.2 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | -93.8 | 156.1 | -168 | 55.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1638 | I | 40.2 | Very low | 40.8 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | | | trans | 91.3 | 117.1 | 139 | -77.7 | 160.3 | 0 | 0 | 0 | 120.9 | | |
| 1639 | N | 41.7 | Very low | 40.6 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | 89.6 | 132.2 | 139.7 | -92.2 | -7.2 | 0 | 0 | 0 | 125.9 | | |
| 1640 | I | 39.4 | Very low | 40 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 68% | 0.677 | 72% | 0.724 | S | S | * | * | | | trans | 93 | 96.6 | 134.6 | -73.5 | 166.3 | 0 | 0 | 0 | 119.7 | | |
| 1641 | T | 38 | Very low | 39.7 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | 75.3 | 140.1 | 138.8 | 57.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1642 | N | 40.7 | Very low | 39.3 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | 84.6 | 101.4 | 149 | -67.7 | -0.9 | 0 | 0 | 0 | 120.5 | | |
| 1643 | F | 34.4 | Very low | 39 | Very low | 190 Ų | 190 | 131 Ų | 131 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | | | | 68.8 | 156.7 | 123.2 | -89.7 | -85.6 | 0 | 0 | 0 | 121.1 | | |
| 1644 | I | 41 | Very low | 38.7 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | | | trans | 85.5 | 100.8 | 159.4 | -71.8 | 157.5 | 0 | 0 | 0 | 117.1 | | |
| 1645 | D | 39.4 | Very low | 38.2 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | | | | 80.5 | 122.2 | 126.4 | -63.2 | 16.9 | 0 | 0 | 0 | 123.4 | | |
| 1646 | N | 41.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | | 64.6 | 98.6 | 123.7 | -56.3 | -23.3 | 0 | 0 | 0 | 121.1 | | |
| 1647 | N | 35.1 | Very low | 37.8 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | | | | 79.4 | 151.7 | 106.9 | -160 | 29.1 | 0 | 0 | 0 | 120.6 | | |
| 1648 | E | 35.5 | Very low | 37.8 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | 83.5 | 145.7 | 147 | -112.7 | 169.2 | -113.2 | 0 | 0 | 122.9 | | |
| 1649 | T | 37 | Very low | 37.7 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | 71.4 | 91.7 | 157.6 | 58 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1650 | S | 33.8 | Very low | 37.5 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | | 110.6 | 126.5 | 93.5 | -168.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1651 | S | 38.4 | Very low | 37.6 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | trans | 70.3 | 152.7 | 153 | 84.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1652 | H | 35.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | | | cis | -161.3 | 145.1 | 7.2 | -153.2 | 43.8 | 0 | 0 | 0 | 110.8 | | |
| 1653 | Y | 35.4 | Very low | 37.5 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | | | trans | 61.3 | 126.5 | 138.8 | -89.3 | -153.4 | 0 | 0 | 0 | 124 | | |
| 1654 | Q | 36.3 | Very low | 37.4 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | | 107.7 | 98 | 123.8 | -81.1 | 178.6 | -5.3 | 0 | 0 | 121.6 | | |
| 1655 | D | 33.2 | Very low | 37 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | | | | 49.7 | 100 | 113.5 | -65.7 | -35.8 | 0 | 0 | 0 | 120.4 | | |
| 1656 | M | 42.1 | Very low | 36.7 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | | | | -157.3 | 93.3 | 128.8 | -65 | -158.4 | -171 | 0 | 0 | 108.6 | | |
| 1657 | N | 34.2 | Very low | 36.3 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | | | | 45.8 | 97.2 | 72.6 | -170.6 | -5.6 | 0 | 0 | 0 | 115 | N1659 | N1657-N1659 PolarHBondContact OD1-ND2 3.12Š|
| 1658 | M | 40.6 | Very low | 36.1 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | | | trans | -171.8 | 105.8 | 134.6 | -78.9 | -128.6 | -176.9 | 0 | 0 | 110 | | |
| 1659 | N | 38.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | | 68.9 | 98.7 | 86 | -88.6 | -68.1 | 0 | 0 | 0 | 117.7 | N1657 | N1657-N1659 PolarHBondContact OD1-ND2 3.12Š|
| 1660 | K | 36.5 | Very low | 36.3 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | | 62.7 | 165.1 | 122.1 | -82 | 174.7 | -177.4 | 154.6 | 0 | 120 | | |
| 1661 | P | 42.5 | Very low | 36.7 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | cis | -130.2 | 153.6 | 1.4 | 38.3 | -21.8 | 0 | 0 | 0 | 116.8 | R1663 | P1661-R1663 PolarHBondContact O-N 3.34Š|
| 1662 | N | 42.8 | Very low | 37 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -52 | 130 | 147.3 | 164.4 | -17.8 | 0 | 0 | 0 | 110 | N1664 | N1662-N1664 PolarHBondContact OD1-N 3.48Š|
| 1663 | R | 33.4 | Very low | 37.3 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | | | trans | -135.9 | 95.6 | 154.2 | -82.2 | -158.1 | 171.1 | -178.8 | -0.4 | 114.7 | P1661 | P1661-R1663 PolarHBondContact O-N 3.34Š|
| 1664 | N | 32.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | | 51.2 | 97.6 | 111.7 | -97.7 | -77.4 | 0 | 0 | 0 | 117.6 | N1662 | N1662-N1664 PolarHBondContact OD1-N 3.48Š|
| 1665 | S | 31.8 | Very low | 37.9 | Very low | 85 Ų | 85 | 157.2 Ų | 157.2 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | | 63.3 | 153.7 | 109.1 | 76.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1666 | K | 33 | Very low | 38.1 | Very low | 189 Ų | 189 | 158.4 Ų | 158.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 89.8 | 88.3 | 169.6 | -59.1 | 173.6 | -178.6 | 170.7 | 0 | 117.8 | | |
| 1667 | A | 33.7 | Very low | 37.9 | Very low | 81 Ų | 81 | 156.6 Ų | 156.6 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | | 69.4 | 136.4 | 100.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1668 | W | 31.6 | Very low | 38.1 | Very low | 238 Ų | 238 | 158.4 Ų | 158.4 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | 69.2 | 95.7 | 160.2 | -61.8 | 20.6 | 0 | 0 | 0 | 116.8 | | |
| 1669 | K | 38.1 | Very low | 38 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | | 172.6 | 127.8 | 96.3 | -94.6 | -171.8 | 175.3 | -173.7 | 0 | 114.9 | | |
| 1670 | Y | 39.1 | Very low | 37.9 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | | 45.6 | 129.7 | 108.6 | -108.8 | -44.4 | 0 | 0 | 0 | 120.1 | | |
| 1671 | I | 41.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 158.4 Ų | 158.4 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | trans | 99.4 | 123.3 | 144 | -64.9 | -178.2 | 0 | 0 | 0 | 118.4 | | |
| 1672 | D | 44.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 162.9 Ų | 162.9 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | trans | 64 | 103.6 | 155.2 | -55.5 | -4 | 0 | 0 | 0 | 121.9 | | |
| 1673 | E | 41.4 | Very low | 37.3 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | | 45 | 118.5 | 106.1 | -61.1 | 174.1 | 178.9 | 0 | 0 | 118.7 | | |
| 1674 | N | 46.6 | Very low | 37.6 | Very low | 229 Ų | 229 | 160 Ų | 160 | 100% | 1.225 | 78% | 0.782 | S | S | * | * | | | | -153.8 | 0 | 99.4 | -156.5 | 115.6 | 0 | 0 | 0 | 109.9 | | |