| 1 | M | 59.4 | Low | 77 | Confident | 243 Ų | 243 | 119.2 Ų | 119.2 | 100% | 1.197 | 63% | 0.626 | S | S | * | * | | | | 0 | 110.1 | 0 | -65.6 | 176.4 | 163.6 | 0 | 0 | 108.2 | | |
| 2 | T | 60.2 | Low | 77.4 | Confident | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 62% | 0.621 | S | S | * | * | | | trans | -75 | 128.5 | 174.8 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | S | 74.3 | Confident | 77.7 | Confident | 88 Ų | 88 | 119.4 Ų | 119.4 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | | | trans | -63.1 | 139.6 | -176.3 | -37.8 | 0 | 0 | 0 | 0 | 111.1 | A5 A6 Q7 | S3-A5 PolarHBondContact O-N 2.94Å; S3-A6 WeakPolarHBondContact O-CB 3.3Å; S3-A6 PolarHBondContact O-N 3.27Å; S3-Q7 PolarHBondContact O-N 3.4Å |
| 4 | S | 75.1 | Confident | 78.1 | Confident | 99 Ų | 99 | 120.1 Ų | 120.1 | 69% | 0.692 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -52.6 | -32.5 | -178.8 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | A6 Q7 A8 | S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 2.94Å; S4-Q7 PolarHBondContact O-N 3.29Å; S4-A8 PolarHBondContact O-N 3.16Å |
| 5 | A | 78.1 | Confident | 78.3 | Confident | 54 Ų | 54 | 118.4 Ų | 118.4 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.3 | -36.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S3 R9 | S3-A5 PolarHBondContact O-N 2.94Å; A5-R9 VanDerWaalsContact O-CG 3.3Å; A5-R9 WeakPolarHBondContact O-CG 3.5Å; A5-R9 PolarHBondContact O-N 3.31Å; A5-R9 VanDerWaalsContact O-N 3.09Å |
| 6 | A | 79.2 | Confident | 78.5 | Confident | 41 Ų | 41 | 120.3 Ų | 120.3 | 34% | 0.339 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.5 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S3 S4 R9 R10 | S3-A6 WeakPolarHBondContact O-CB 3.3Å; S3-A6 PolarHBondContact O-N 3.27Å; S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 2.94Å; A6-R9 PolarHBondContact O-N 3.05Å; A6-R10 WeakPolarHBondContact O-CG 3.37Å; A6-R10 PolarHBondContact O-N 3.35Å |
| 7 | Q | 83.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 176.2 | -165 | 176.5 | 29.6 | 0 | 0 | 111.7 | S3 S4 R9 R10 R11 | S3-Q7 PolarHBondContact O-N 3.4Å; S4-Q7 PolarHBondContact O-N 3.29Å; Q7-R9 PolarHBondContact O-N 3.48Å; Q7-R10 PolarHBondContact O-N 3.09Å; Q7-R11 WeakPolarHBondContact O-CG 3.41Å; Q7-R11 PolarHBondContact O-N 2.88Å |
| 8 | A | 83.9 | Confident | 78.5 | Confident | 48 Ų | 48 | 117.8 Ų | 117.8 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S4 R11 Q12 | S4-A8 PolarHBondContact O-N 3.16Å; A8-R11 PolarHBondContact O-N 3.07Å; A8-Q12 WeakPolarHBondContact O-CG 3.32Å; A8-Q12 PolarHBondContact O-N 2.8Å |
| 9 | R | 84.5 | Confident | 78.8 | Confident | 159 Ų | 159 | 115.6 Ų | 115.6 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -43.3 | 175.8 | -71 | 173 | -168.3 | -115.4 | 5.1 | 112 | A5 A6 Q7 R11 Q12 Q13 | A5-R9 VanDerWaalsContact O-CG 3.3Å; A5-R9 WeakPolarHBondContact O-CG 3.5Å; A5-R9 PolarHBondContact O-N 3.31Å; A5-R9 VanDerWaalsContact O-N 3.09Å; A6-R9 PolarHBondContact O-N 3.05Å; Q7-R9 PolarHBondContact O-N 3.48Å; R9-R11 VanDerWaalsContact C-N 3.35Å; R9-R11 PolarHBondContact O-N 3.38Å; R9-Q12 PolarHBondContact O-N 2.67Å; R9-Q13 WeakPolarHBondContact O-CB 3.38Å; R9-Q13 WeakPolarHBondContact O-CG 3.11Å; R9-Q13 PolarHBondContact O-N 2.97Å |
| 10 | R | 84.1 | Confident | 79.2 | Confident | 175 Ų | 175 | 116.4 Ų | 116.4 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.2 | -42.9 | 176.1 | -74.3 | 178.8 | -176.8 | -120.7 | 2.2 | 111.8 | A6 Q7 Q13 Q14 | A6-R10 WeakPolarHBondContact O-CG 3.37Å; A6-R10 PolarHBondContact O-N 3.35Å; Q7-R10 PolarHBondContact O-N 3.09Å; R10-Q13 PolarHBondContact O-N 2.73Å; R10-Q14 WeakPolarHBondContact O-CB 3Å; R10-Q14 VanDerWaalsContact O-CG 3.32Å; R10-Q14 WeakPolarHBondContact O-CG 3.48Å; R10-Q14 PolarHBondContact O-N 2.85Å |
| 11 | R | 84.9 | Confident | 79.5 | Confident | 158 Ų | 158 | 111 Ų | 111 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -45.5 | 174.2 | -74.8 | -178.7 | 172.8 | -152.1 | -0.4 | 111.6 | Q7 A8 R9 Q13 Q14 I15 | Q7-R11 WeakPolarHBondContact O-CG 3.41Å; Q7-R11 PolarHBondContact O-N 2.88Å; A8-R11 PolarHBondContact O-N 3.07Å; R9-R11 VanDerWaalsContact C-N 3.35Å; R9-R11 PolarHBondContact O-N 3.38Å; R11-Q13 VanDerWaalsContact C-N 3.34Å; R11-Q13 PolarHBondContact O-N 3.45Å; R11-Q14 PolarHBondContact O-N 2.92Å; R11-I15 WeakPolarHBondContact O-CD1 3.38Å; R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.05Å |
| 12 | Q | 80.9 | Confident | 80.6 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 176.5 | -73.4 | 179.1 | -2 | 0 | 0 | 112.4 | A8 R9 I15 R16 | A8-Q12 WeakPolarHBondContact O-CG 3.32Å; A8-Q12 PolarHBondContact O-N 2.8Å; R9-Q12 PolarHBondContact O-N 2.67Å; Q12-I15 PolarHBondContact O-N 2.97Å; Q12-R16 WeakPolarHBondContact O-CG 3.49Å; Q12-R16 PolarHBondContact O-N 3.1Å |
| 13 | Q | 82.1 | Confident | 81.7 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -45.9 | 174.6 | -74.5 | 173.4 | -15.5 | 0 | 0 | 111.2 | R9 R10 R11 I15 R16 L17 | R9-Q13 WeakPolarHBondContact O-CB 3.38Å; R9-Q13 WeakPolarHBondContact O-CG 3.11Å; R9-Q13 PolarHBondContact O-N 2.97Å; R10-Q13 PolarHBondContact O-N 2.73Å; R11-Q13 VanDerWaalsContact C-N 3.34Å; R11-Q13 PolarHBondContact O-N 3.45Å; Q13-I15 VanDerWaalsContact C-N 3.32Å; Q13-I15 PolarHBondContact O-N 3.34Å; Q13-R16 PolarHBondContact O-N 3.01Å; Q13-R16 VanDerWaalsContact O-N 3.15Å; Q13-L17 VanDerWaalsContact O-CG 3.29Å; Q13-L17 WeakPolarHBondContact O-CG 3.45Å; Q13-L17 PolarHBondContact O-N 3.15Å |
| 14 | Q | 82.2 | Confident | 82.3 | Confident | 130 Ų | 130 | 99.8 Ų | 99.8 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 175 | -76.6 | 176 | -15.1 | 0 | 0 | 111.8 | R10 R11 R16 L17 A18 | R10-Q14 WeakPolarHBondContact O-CB 3Å; R10-Q14 VanDerWaalsContact O-CG 3.32Å; R10-Q14 WeakPolarHBondContact O-CG 3.48Å; R10-Q14 PolarHBondContact O-N 2.85Å; R11-Q14 PolarHBondContact O-N 2.92Å; Q14-R16 PolarHBondContact O-N 3.46Å; Q14-L17 PolarHBondContact O-N 3.2Å; Q14-A18 VanDerWaalsContact O-CB 3.24Å; Q14-A18 WeakPolarHBondContact O-CB 3.44Å; Q14-A18 PolarHBondContact O-N 3.21Å |
| 15 | I | 82.2 | Confident | 82.7 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.1 | -67.1 | 162.2 | 0 | 0 | 0 | 110.1 | R11 Q12 Q13 L17 A18 Q19 | R11-I15 WeakPolarHBondContact O-CD1 3.38Å; R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.05Å; Q12-I15 PolarHBondContact O-N 2.97Å; Q13-I15 VanDerWaalsContact C-N 3.32Å; Q13-I15 PolarHBondContact O-N 3.34Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.04Å; I15-A18 PolarHBondContact O-N 2.81Å; I15-Q19 HydrophobicContact CG2-CG 3.78Å; I15-Q19 WeakPolarHBondContact O-CB 2.98Å; I15-Q19 WeakPolarHBondContact O-CG 3.47Å; I15-Q19 PolarHBondContact O-N 3.01Å |
| 16 | R | 80.4 | Confident | 83 | Confident | 148 Ų | 148 | 96 Ų | 96 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -37.4 | 177.1 | -74.1 | -175.5 | -178.8 | -169.3 | -1.2 | 113.3 | Q12 Q13 Q14 G28 F30 | Q12-R16 WeakPolarHBondContact O-CG 3.49Å; Q12-R16 PolarHBondContact O-N 3.1Å; Q13-R16 PolarHBondContact O-N 3.01Å; Q13-R16 VanDerWaalsContact O-N 3.15Å; Q14-R16 PolarHBondContact O-N 3.46Å; R16-G28 CarbonylContact O-C 3.59Å; R16-G28 VanDerWaalsContact O-CA 3.29Å; R16-G28 WeakPolarHBondContact O-CA 3.33Å; R16-F30 HydrophobicContact CG-CE2 3.79Å; R16-F30 HydrophobicContact CG-CZ 4.14Å |
| 17 | L | 78.2 | Confident | 83.3 | Confident | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.1 | -34.9 | 178.4 | -66.1 | 172.6 | 0 | 0 | 0 | 112.4 | Q13 Q14 I15 | Q13-L17 VanDerWaalsContact O-CG 3.29Å; Q13-L17 WeakPolarHBondContact O-CG 3.45Å; Q13-L17 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 3.2Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.04Å |
| 18 | A | 79.9 | Confident | 83.3 | Confident | 78 Ų | 78 | 96 Ų | 96 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -84.2 | -20.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q14 I15 | Q14-A18 VanDerWaalsContact O-CB 3.24Å; Q14-A18 WeakPolarHBondContact O-CB 3.44Å; Q14-A18 PolarHBondContact O-N 3.21Å; I15-A18 PolarHBondContact O-N 2.81Å |
| 19 | Q | 83.2 | Confident | 83.5 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 128.5 | 177.4 | -75.8 | -82.8 | -54.3 | 0 | 0 | 110.4 | I15 F30 | I15-Q19 HydrophobicContact CG2-CG 3.78Å; I15-Q19 WeakPolarHBondContact O-CB 2.98Å; I15-Q19 WeakPolarHBondContact O-CG 3.47Å; I15-Q19 PolarHBondContact O-N 3.01Å; Q19-F30 HydrophobicContact CB-CE1 4.11Å; Q19-F30 HydrophobicContact CG-CE1 4.17Å |
| 20 | K | 86.8 | Confident | 83.5 | Confident | 132 Ų | 132 | 91.6 Ų | 91.6 | 57% | 0.574 | 46% | 0.463 | S | S | * | . | B | Isolated β-bridge | trans | -82.5 | 143.7 | 169.3 | 68 | -178.9 | -178.5 | -179 | 0 | 110.8 | F22 G26 L27 | K20-F22 PolarHBondContact O-N 3.25Å; K20-G26 CarbonylContact C-O 3.56Å; K20-G26 WeakPolarHBondContact CA-O 3.2Å; K20-L27 HydrophobicContact CB-CD2 3.89Å |
| 21 | C | 86 | Confident | 83.5 | Confident | 2 Ų | 2 | 85.5 Ų | 85.5 | 1% | 0.014 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 126.6 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | S23 C24 G25 G26 H29 A31 C34 | C21-S23 PolarHBondContact O-N 2.84Å; C21-S23 PolarHBondContact SG-N 3.48Å; C21-S23 VanDerWaalsContact SG-N 3.38Å; C21-C24 VanDerWaalsContact SG-SG 3.69Å; C21-G25 WeakPolarHBondContact O-CA 3.32Å; C21-G25 PolarHBondContact O-N 2.91Å; C21-G26 VanDerWaalsContact CB-O 3.24Å; C21-G26 WeakPolarHBondContact CB-O 3.41Å; C21-G26 PolarHBondContact N-O 3.37Å; C21-H29 VanDerWaalsContact CB-NE2 3.34Å; C21-H29 WeakPolarHBondContact CB-NE2 3.36Å; C21-H29 PolarHBondContact SG-NE2 2.93Å; C21-H29 VanDerWaalsContact SG-NE2 3.37Å; C21-A31 VanDerWaalsContact SG-CA 3.58Å; C21-C34 VanDerWaalsContact SG-SG 3.61Å |
| 22 | F | 83.5 | Confident | 83.3 | Confident | 148 Ų | 148 | 89.2 Ų | 89.2 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.4 | 177.1 | -66.4 | -84.3 | 0 | 0 | 0 | 113.9 | K20 A31 | K20-F22 PolarHBondContact O-N 3.25Å; F22-A31 HydrophobicContact CB-CB 4.17Å |
| 23 | S | 83.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 24% | 0.238 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -58.3 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | C21 H38 | C21-S23 PolarHBondContact O-N 2.84Å; C21-S23 PolarHBondContact SG-N 3.48Å; C21-S23 VanDerWaalsContact SG-N 3.38Å; S23-H38 VanDerWaalsContact O-CB 3.24Å; S23-H38 WeakPolarHBondContact O-CB 3.39Å; S23-H38 PolarHBondContact OG-N 3.41Å; S23-H38 PolarHBondContact OG-O 3.3Å |
| 24 | C | 85.2 | Confident | 83.6 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 31% | 0.311 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -8.2 | -176.2 | 72.5 | 0 | 0 | 0 | 0 | 115.4 | C21 G26 H29 C34 H38 | C21-C24 VanDerWaalsContact SG-SG 3.69Å; C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.47Å; C24-G26 PolarHBondContact SG-N 3.09Å; C24-H29 PolarHBondContact SG-NE2 3.05Å; C24-H29 VanDerWaalsContact SG-NE2 3.39Å; C24-C34 PolarHBondContact SG-SG 3.39Å; C24-H38 HydrophobicContact CB-CB 4.34Å |
| 25 | G | 84.5 | Confident | 83.6 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | | | trans | 79.6 | -6.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C21 | C21-G25 WeakPolarHBondContact O-CA 3.32Å; C21-G25 PolarHBondContact O-N 2.91Å |
| 26 | G | 83.1 | Confident | 83.2 | Confident | 27 Ų | 27 | 85 Ų | 85 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | | | trans | -68.6 | 157 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K20 C21 C24 | K20-G26 CarbonylContact C-O 3.56Å; K20-G26 WeakPolarHBondContact CA-O 3.2Å; C21-G26 VanDerWaalsContact CB-O 3.24Å; C21-G26 WeakPolarHBondContact CB-O 3.41Å; C21-G26 PolarHBondContact N-O 3.37Å; C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.47Å; C24-G26 PolarHBondContact SG-N 3.09Å |
| 27 | L | 86.2 | Confident | 82.6 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | B | Isolated β-bridge | trans | -93 | 162.4 | 179.5 | -62.3 | 174.5 | 0 | 0 | 0 | 112 | K20 H29 | K20-L27 HydrophobicContact CB-CD2 3.89Å; L27-H29 PolarHBondContact O-N 3.49Å; L27-H29 PolarHBondContact O-ND1 3.35Å |
| 28 | G | 84 | Confident | 81.8 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 85.2 | 0.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116 | R16 | R16-G28 CarbonylContact O-C 3.59Å; R16-G28 VanDerWaalsContact O-CA 3.29Å; R16-G28 WeakPolarHBondContact O-CA 3.33Å |
| 29 | H | 88 | Confident | 80.8 | Confident | 46 Ų | 46 | 87.4 Ų | 87.4 | 21% | 0.213 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -149.4 | 158.1 | 177.2 | 66.5 | -78.2 | 0 | 0 | 0 | 111.6 | C21 C24 L27 D33 C34 | C21-H29 VanDerWaalsContact CB-NE2 3.34Å; C21-H29 WeakPolarHBondContact CB-NE2 3.36Å; C21-H29 PolarHBondContact SG-NE2 2.93Å; C21-H29 VanDerWaalsContact SG-NE2 3.37Å; C24-H29 PolarHBondContact SG-NE2 3.05Å; C24-H29 VanDerWaalsContact SG-NE2 3.39Å; L27-H29 PolarHBondContact O-N 3.49Å; L27-H29 PolarHBondContact O-ND1 3.35Å; H29-D33 HydrophobicContact CB-CB 4.43Å; H29-C34 PolarHBondContact NE2-SG 3.35Å |
| 30 | F | 84.4 | Confident | 79.4 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 30% | 0.303 | 48% | 0.484 | S | S | . | . | | | trans | -90.9 | 163 | 173.2 | -65.9 | -72.3 | 0 | 0 | 0 | 111 | R16 Q19 R32 D33 C34 | R16-F30 HydrophobicContact CG-CE2 3.79Å; R16-F30 HydrophobicContact CG-CZ 4.14Å; Q19-F30 HydrophobicContact CB-CE1 4.11Å; Q19-F30 HydrophobicContact CG-CE1 4.17Å; F30-R32 PolarHBondContact O-N 3.5Å; F30-D33 PolarHBondContact O-N 2.83Å; F30-C34 PolarHBondContact O-N 3.32Å |
| 31 | A | 83.4 | Confident | 77.9 | Confident | 46 Ų | 46 | 92.3 Ų | 92.3 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -54.8 | -22.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | C21 F22 | C21-A31 VanDerWaalsContact SG-CA 3.58Å; F22-A31 HydrophobicContact CB-CB 4.17Å |
| 32 | R | 82.1 | Confident | 76.5 | Confident | 236 Ų | 236 | 96.7 Ų | 96.7 | 89% | 0.891 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -73.5 | -26.4 | 175.9 | -58.6 | -171.4 | 70.9 | -178.9 | 2.2 | 113.8 | F30 | F30-R32 PolarHBondContact O-N 3.5Š|
| 33 | D | 83.9 | Confident | 75.2 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -109.8 | 13.7 | -175.9 | -55.6 | -52.2 | 0 | 0 | 0 | 111.4 | H29 F30 L35 | H29-D33 HydrophobicContact CB-CB 4.43Å; F30-D33 PolarHBondContact O-N 2.83Å; D33-L35 PolarHBondContact O-N 2.98Å |
| 34 | C | 84.9 | Confident | 74 | Confident | 19 Ų | 19 | 99.7 Ų | 99.7 | 13% | 0.128 | 55% | 0.549 | C | S | . | . | | | trans | -74.8 | 121.6 | -176.2 | -162.8 | 0 | 0 | 0 | 0 | 110.7 | C21 C24 H29 F30 T36 | C21-C34 VanDerWaalsContact SG-SG 3.61Å; C24-C34 PolarHBondContact SG-SG 3.39Å; H29-C34 PolarHBondContact NE2-SG 3.35Å; F30-C34 PolarHBondContact O-N 3.32Å; C34-T36 PolarHBondContact O-N 2.89Å; C34-T36 PolarHBondContact SG-O 2.85Å |
| 35 | L | 81.7 | Confident | 72.7 | Confident | 167 Ų | 167 | 99.3 Ų | 99.3 | 87% | 0.874 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -66.8 | -24.1 | 176.2 | -68.9 | 106.7 | 0 | 0 | 0 | 112.3 | D33 P37 | D33-L35 PolarHBondContact O-N 2.98Å; L35-P37 WeakPolarHBondContact O-CD 3.18Å |
| 36 | T | 75.4 | Confident | 71.5 | Confident | 83 Ų | 83 | 102.8 Ų | 102.8 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -113.5 | 94.8 | 174 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | C34 H38 | C34-T36 PolarHBondContact O-N 2.89Å; C34-T36 PolarHBondContact SG-O 2.85Å; T36-H38 PolarHBondContact O-N 3.41Å |
| 37 | P | 66.1 | Low | 70.4 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | | | trans | -65.9 | 88.2 | 170.5 | 27.8 | -32.4 | 0 | 0 | 0 | 107.7 | L35 Q39 | L35-P37 WeakPolarHBondContact O-CD 3.18Å; P37-Q39 PolarHBondContact O-N 3.45Å |
| 38 | H | 61.9 | Low | 68.7 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | | | trans | -71.1 | 121.3 | 175.3 | -135.3 | -69.1 | 0 | 0 | 0 | 106.7 | S23 C24 T36 | S23-H38 VanDerWaalsContact O-CB 3.24Å; S23-H38 WeakPolarHBondContact O-CB 3.39Å; S23-H38 PolarHBondContact OG-N 3.41Å; S23-H38 PolarHBondContact OG-O 3.3Å; C24-H38 HydrophobicContact CB-CB 4.34Å; T36-H38 PolarHBondContact O-N 3.41Å |
| 39 | Q | 58.7 | Low | 67.4 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | | | trans | -48.9 | 139.5 | 175.3 | -64.1 | 175.5 | 5.5 | 0 | 0 | 108 | P37 | P37-Q39 PolarHBondContact O-N 3.45Š|
| 40 | R | 53.5 | Low | 66 | Low | 186 Ų | 186 | 120.6 Ų | 120.6 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | | | trans | -17.7 | 135.9 | 175.3 | -62.5 | 165.9 | 137.9 | -116.9 | 5.6 | 112.4 | D42 A43 | R40-D42 HydrophobicContact CB-CB 4.12Å; R40-D42 WeakPolarHBondContact CB-OD2 3.29Å; R40-D42 IonicContact CZ-OD2 3.81Å; R40-D42 IonicContact NH1-OD2 2.84Å; R40-D42 PolarHBondContact NH1-OD2 2.93Å; R40-D42 PolarHBondContact O-N 2.83Å; R40-A43 PolarHBondContact O-N 3.32Å |
| 41 | P | 56.9 | Low | 64.7 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 22 | 172.2 | 27.1 | -34.4 | 0 | 0 | 0 | 114.6 | | |
| 42 | D | 54.8 | Low | 63.1 | Low | 94 Ų | 94 | 132.5 Ų | 132.5 | 50% | 0.503 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.6 | 1.3 | 177.3 | -54.4 | -46.9 | 0 | 0 | 0 | 112.7 | R40 D44 | R40-D42 HydrophobicContact CB-CB 4.12Å; R40-D42 WeakPolarHBondContact CB-OD2 3.29Å; R40-D42 IonicContact CZ-OD2 3.81Å; R40-D42 IonicContact NH1-OD2 2.84Å; R40-D42 PolarHBondContact NH1-OD2 2.93Å; R40-D42 PolarHBondContact O-N 2.83Å; D42-D44 VanDerWaalsContact C-N 3.34Å; D42-D44 PolarHBondContact O-N 3.33Å |
| 43 | A | 56.6 | Low | 61.5 | Low | 76 Ų | 76 | 132.7 Ų | 132.7 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -75.6 | -18.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R40 | R40-A43 PolarHBondContact O-N 3.32Š|
| 44 | D | 59 | Low | 60.2 | Low | 169 Ų | 169 | 138.9 Ų | 138.9 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -120.8 | 11.5 | 176.9 | -67.5 | -77.5 | 0 | 0 | 0 | 112.8 | D42 | D42-D44 VanDerWaalsContact C-N 3.34Å; D42-D44 PolarHBondContact O-N 3.33Å |
| 45 | G | 56.8 | Low | 58.8 | Low | 39 Ų | 39 | 145 Ų | 145 | 40% | 0.402 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -102.2 | 134.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 46 | P | 59.8 | Low | 57.5 | Low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142 | 176 | 23.9 | -32.5 | 0 | 0 | 0 | 109.5 | R48 | P46-R48 PolarHBondContact O-N 2.84Š|
| 47 | P | 59.4 | Low | 56.5 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 132.9 | 176.1 | 23.7 | -33 | 0 | 0 | 0 | 107.8 | A49 | P47-A49 PolarHBondContact O-N 3.33Š|
| 48 | R | 50.9 | Low | 55.9 | Low | 257 Ų | 257 | 139.6 Ų | 139.6 | 97% | 0.97 | 76% | 0.764 | S | S | * | * | | | trans | -61.4 | 89.7 | 170.3 | -72 | -169.1 | 174.5 | 177.2 | -0.9 | 107.7 | P46 D50 | P46-R48 PolarHBondContact O-N 2.84Å; R48-D50 PolarHBondContact O-N 3.38Å |
| 49 | A | 57.1 | Low | 55.5 | Low | 81 Ų | 81 | 137 Ų | 137 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 124.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P47 | P47-A49 PolarHBondContact O-N 3.33Š|
| 50 | D | 59.2 | Low | 55.6 | Low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 46.4 | 102.6 | 150.8 | -70.1 | -75.6 | 0 | 0 | 0 | 119 | R48 | R48-D50 PolarHBondContact O-N 3.38Š|
| 51 | V | 55.8 | Low | 55.7 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | | -150.1 | 101.4 | 129 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 52 | R | 49.7 | Very low | 55.6 | Low | 228 Ų | 228 | 129 Ų | 129 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 64 | 103.7 | 149.4 | -54.6 | -82.5 | 177.7 | 176.5 | -2.9 | 118.2 | R54 | R52-R54 PolarHBondContact O-N 3.44Š|
| 53 | R | 50.2 | Low | 55.6 | Low | 239 Ų | 239 | 128.7 Ų | 128.7 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -40.8 | 118.2 | 149.4 | -74.8 | -173.3 | 178.1 | -164.9 | 1.2 | 110 | | |
| 54 | R | 54.9 | Low | 55.6 | Low | 239 Ų | 239 | 128.5 Ų | 128.5 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | trans | -117.1 | 100.3 | 159.6 | -160.9 | 175 | -156.1 | -171.9 | 5.2 | 106.9 | R52 X56 | R52-R54 PolarHBondContact O-N 3.44Å; R54-G56 PolarHBondContact O-N 3.4Å; R54-G56 VanDerWaalsContact O-N 3.15Å |
| 55 | D | 57.3 | Low | 55.7 | Low | 149 Ų | 149 | 125 Ų | 125 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -45.5 | 114.6 | 164.6 | -57.6 | -88.7 | 0 | 0 | 0 | 108.8 | | |
| 56 | X | 52.6 | Low | 56 | Low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | -175.2 | 99.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R54 | R54-G56 PolarHBondContact O-N 3.4Å; R54-G56 VanDerWaalsContact O-N 3.15Å |
| 57 | X | 54.6 | Low | 55.9 | Low | 88 Ų | 88 | 137.9 Ų | 137.9 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | trans | -58.9 | 149.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 58 | X | 54.1 | Low | 55.8 | Low | 83 Ų | 83 | 136.3 Ų | 136.3 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | | | trans | -145 | 76.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | X | 54.2 | Low | 56.4 | Low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -85 | 131.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 60 | X | 60 | Low | 56.6 | Low | 131 Ų | 131 | 135.5 Ų | 135.5 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | 160.2 | 99.9 | 152.5 | -80.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 61 | X | 55.9 | Low | 56.7 | Low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | | 135.1 | 132.2 | 79.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 62 | X | 54.5 | Low | 56.8 | Low | 88 Ų | 88 | 136 Ų | 136 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | cis | 100 | 95.5 | 47.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 63 | X | 55.4 | Low | 57.2 | Low | 86 Ų | 86 | 131.8 Ų | 131.8 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | 105.9 | 130.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 64 | X | 56.7 | Low | 57.4 | Low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | cis | 172.1 | 133.5 | 7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 65 | X | 60.5 | Low | 57.5 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | | | trans | -18.2 | 124.9 | 164.2 | -171.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 66 | R | 62 | Low | 57.6 | Low | 241 Ų | 241 | 118.5 Ų | 118.5 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -154.9 | 81.4 | 141.8 | -109 | 179.3 | -81.3 | -137.3 | 6.2 | 110.8 | | |
| 67 | R | 58.9 | Low | 57.8 | Low | 186 Ų | 186 | 124 Ų | 124 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | | | trans | 22.2 | 102.5 | 139.9 | -51.8 | -178 | -139 | -134.8 | 5.2 | 115.4 | R69 | R67-R69 VanDerWaalsContact C-N 3.34Å; R67-R69 HydrophobicContact CB-CG 4.44Å; R67-R69 PolarHBondContact O-N 3.29Å |
| 68 | G | 57.4 | Low | 57.7 | Low | 86 Ų | 86 | 126.7 Ų | 126.7 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -64 | 99 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 69 | R | 62.1 | Low | 57.7 | Low | 191 Ų | 191 | 128.1 Ų | 128.1 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -90 | 113.4 | 163.3 | -78.1 | -178 | -177.2 | 167.7 | 0.3 | 106.5 | R67 | R67-R69 VanDerWaalsContact C-N 3.34Å; R67-R69 HydrophobicContact CB-CG 4.44Å; R67-R69 PolarHBondContact O-N 3.29Å |
| 70 | T | 63 | Low | 57.8 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | trans | -55.1 | 135.1 | 158.9 | 40.7 | 0 | 0 | 0 | 0 | 108.5 | A72 | T70-A72 VanDerWaalsContact C-N 3.32Å; T70-A72 PolarHBondContact O-N 2.92Å |
| 71 | F | 61.4 | Low | 57.6 | Low | 209 Ų | 209 | 133.5 Ų | 133.5 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -71.9 | 90.9 | 172 | -67.4 | -89.1 | 0 | 0 | 0 | 107.9 | | |
| 72 | A | 58.2 | Low | 57.2 | Low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -85.9 | 118.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T70 A74 | T70-A72 VanDerWaalsContact C-N 3.32Å; T70-A72 PolarHBondContact O-N 2.92Å; A72-A74 PolarHBondContact O-N 3.49Å |
| 73 | V | 56.8 | Low | 57.2 | Low | 138 Ų | 138 | 134.4 Ų | 134.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -74 | 115.1 | 170.4 | -26.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 74 | A | 55.1 | Low | 57.4 | Low | 75 Ų | 75 | 136.5 Ų | 136.5 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | | | trans | -122.1 | 103.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A72 L76 | A72-A74 PolarHBondContact O-N 3.49Å; A74-L76 HydrophobicContact CB-CD1 4.45Å; A74-L76 PolarHBondContact O-N 3.15Å |
| 75 | T | 57.1 | Low | 57.3 | Low | 138 Ų | 138 | 138.9 Ų | 138.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -73.4 | 105.4 | 171 | -42.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 76 | L | 59.5 | Low | 57 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | | | trans | -115.6 | 101.3 | 178.8 | -83.6 | 163.9 | 0 | 0 | 0 | 108.5 | A74 M78 | A74-L76 HydrophobicContact CB-CD1 4.45Å; A74-L76 PolarHBondContact O-N 3.15Å; L76-M78 HydrophobicContact CB-CE 3.52Å; L76-M78 HydrophobicContact CD1-CE 4.37Å; L76-M78 HydrophobicContact CD2-CE 3.46Å; L76-M78 VanDerWaalsContact CD2-CE 3.46Å; L76-M78 HydrophobicContact CG-CE 3.91Å |
| 77 | Q | 55.8 | Low | 56.5 | Low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -85.4 | 115.6 | 176.6 | 169.4 | -175.5 | -37.7 | 0 | 0 | 109.3 | | |
| 78 | M | 53.5 | Low | 56.5 | Low | 145 Ų | 145 | 134.5 Ų | 134.5 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | | | trans | -141 | 140.4 | 169.7 | -18.4 | -74.5 | -176.1 | 0 | 0 | 112.2 | L76 | L76-M78 HydrophobicContact CB-CE 3.52Å; L76-M78 HydrophobicContact CD1-CE 4.37Å; L76-M78 HydrophobicContact CD2-CE 3.46Å; L76-M78 VanDerWaalsContact CD2-CE 3.46Å; L76-M78 HydrophobicContact CG-CE 3.91Å |
| 79 | S | 54.6 | Low | 56.1 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | 164.1 | -164.5 | -50.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 80 | P | 55.2 | Low | 55.5 | Low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -83 | 136.4 | 179 | 33.5 | -31.8 | 0 | 0 | 0 | 111.8 | | |
| 81 | M | 57.2 | Low | 55.2 | Low | 193 Ų | 193 | 136.8 Ų | 136.8 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | | | trans | -107.6 | 115.1 | 164 | -78.4 | -174.4 | 71.3 | 0 | 0 | 109.9 | | |
| 82 | S | 47.5 | Very low | 54.8 | Low | 125 Ų | 125 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -70 | 148.7 | 165.3 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 83 | G | 53.6 | Low | 54.1 | Low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | trans | 139.3 | 131 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 84 | T | 59.7 | Low | 53.9 | Low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | 73.9 | 93.9 | 159.6 | 66.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 85 | T | 54.5 | Low | 53.8 | Low | 124 Ų | 124 | 149.3 Ų | 149.3 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | | | | 60.2 | 154.9 | 80.7 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 86 | E | 53.7 | Low | 53.6 | Low | 167 Ų | 167 | 153.8 Ų | 153.8 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | 97.8 | 84.6 | 176.5 | -47.5 | -83.4 | 85.9 | 0 | 0 | 112.9 | | |
| 87 | T | 52.1 | Low | 53.5 | Low | 119 Ų | 119 | 153 Ų | 153 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | | 86.9 | 131.1 | 84.2 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 88 | L | 58.3 | Low | 53.5 | Low | 144 Ų | 144 | 149.9 Ų | 149.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | 91.7 | 120.4 | 158 | -123.8 | 68.5 | 0 | 0 | 0 | 119.3 | | |
| 89 | M | 48.7 | Very low | 54 | Low | 177 Ų | 177 | 147.9 Ų | 147.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | 70.2 | 113.3 | 147.4 | -78 | 161.1 | 120.8 | 0 | 0 | 119.1 | | |
| 90 | G | 49.5 | Very low | 54 | Low | 68 Ų | 68 | 148.8 Ų | 148.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | | 110 | 106.8 | 116.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 91 | K | 56.4 | Low | 53.9 | Low | 210 Ų | 210 | 148.6 Ų | 148.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | 63.9 | 106.8 | 136 | -62.1 | 179.3 | -179.2 | -176.2 | 0 | 117.3 | | |
| 92 | R | 53.5 | Low | 53.6 | Low | 247 Ų | 247 | 146.3 Ų | 146.3 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -40.8 | 160.3 | 158.3 | -95.3 | -178.7 | 150.5 | -133.1 | -0 | 114.9 | | |
| 93 | P | 44.8 | Very low | 53.8 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | | | | -109.3 | 152 | -125.1 | 38.8 | -32.4 | 0 | 0 | 0 | 112.4 | | |
| 94 | Q | 50.6 | Low | 53.9 | Low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -134.5 | 100.8 | 161.1 | -68.1 | -68.6 | -3.2 | 0 | 0 | 107.7 | R96 | Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 2.95Å |
| 95 | R | 54.2 | Low | 53.5 | Low | 243 Ų | 243 | 153 Ų | 153 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -57.7 | 105 | 158.4 | -90.7 | -174.2 | 172.1 | -153.5 | -0.3 | 106.1 | P97 | R95-P97 VanDerWaalsContact O-CD 3.3Å; R95-P97 WeakPolarHBondContact O-CD 3.29Å |
| 96 | R | 53.2 | Low | 53.7 | Low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -86.1 | 108.3 | 160.3 | -115.1 | 177.1 | 172.5 | -125.6 | 0.5 | 106.4 | Q94 T98 | Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 2.95Å; R96-T98 PolarHBondContact O-N 2.84Å |
| 97 | P | 57.1 | Low | 54.2 | Low | 118 Ų | 118 | 148.6 Ų | 148.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 117.7 | 159.1 | -4.8 | 23.3 | 0 | 0 | 0 | 106.1 | R95 | R95-P97 VanDerWaalsContact O-CD 3.3Å; R95-P97 WeakPolarHBondContact O-CD 3.29Å |
| 98 | T | 56.2 | Low | 55.2 | Low | 123 Ų | 123 | 147 Ų | 147 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.4 | 169.6 | 44.9 | 0 | 0 | 0 | 0 | 109 | R96 | R96-T98 PolarHBondContact O-N 2.84Š|
| 99 | P | 62.9 | Low | 56.1 | Low | 103 Ų | 103 | 143.3 Ų | 143.3 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134.6 | 173.2 | 26.8 | -32.3 | 0 | 0 | 0 | 108.4 | T101 | P99-T101 VanDerWaalsContact C-N 3.35Å; P99-T101 PolarHBondContact O-N 3.34Å |
| 100 | P | 55.2 | Low | 57.6 | Low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | | | trans | -64.7 | 102.6 | 164.2 | 26.5 | -29.7 | 0 | 0 | 0 | 107.5 | D102 | P100-D102 PolarHBondContact O-N 3.22Å; P100-D102 VanDerWaalsContact O-N 3.16Å |
| 101 | T | 52.9 | Low | 59.2 | Low | 122 Ų | 122 | 146 Ų | 146 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 105.5 | 152.2 | 39.9 | 0 | 0 | 0 | 0 | 106.7 | P99 | P99-T101 VanDerWaalsContact C-N 3.35Å; P99-T101 PolarHBondContact O-N 3.34Å |
| 102 | D | 50.7 | Low | 60.5 | Low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 173.2 | 100.6 | 145.6 | -93.4 | -51.3 | 0 | 0 | 0 | 110.1 | P100 N104 | P100-D102 PolarHBondContact O-N 3.22Å; P100-D102 VanDerWaalsContact O-N 3.16Å; D102-N104 VanDerWaalsContact C-N 3.29Å; D102-N104 PolarHBondContact O-N 2.96Å |
| 103 | A | 52.2 | Low | 62 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 43.5 | 30.9 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 104 | N | 54.7 | Low | 63.8 | Low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | -132.5 | 119.4 | 157.4 | -160.4 | -21.8 | 0 | 0 | 0 | 108.6 | D102 A106 | D102-N104 VanDerWaalsContact C-N 3.29Å; D102-N104 PolarHBondContact O-N 2.96Å; N104-A106 PolarHBondContact O-N 2.95Å |
| 105 | K | 51.8 | Low | 65.3 | Low | 206 Ų | 206 | 134.2 Ų | 134.2 | 90% | 0.896 | 70% | 0.704 | S | S | * | * | | | trans | -60.6 | 69.3 | 178.9 | -71.1 | 178.5 | 173.6 | -168.6 | 0 | 110.9 | L107 | K105-L107 PolarHBondContact O-N 2.71Š|
| 106 | A | 59.7 | Low | 66.3 | Low | 89 Ų | 89 | 128.2 Ų | 128.2 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | | | trans | -72.2 | 98 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | N104 | N104-A106 PolarHBondContact O-N 2.95Š|
| 107 | L | 63.2 | Low | 67.7 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 58% | 0.576 | 68% | 0.68 | S | S | * | * | | | trans | -43.6 | 138.1 | 169.5 | -71.4 | 163.2 | 0 | 0 | 0 | 109.3 | K105 S109 L122 | K105-L107 PolarHBondContact O-N 2.71Å; L107-S109 PolarHBondContact O-N 3.33Å; L107-S109 VanDerWaalsContact O-N 3.09Å; L107-L122 HydrophobicContact CB-CD2 3.98Å; L107-L122 HydrophobicContact CD1-CD1 3.91Å |
| 108 | P | 74 | Confident | 69 | Low | 86 Ų | 86 | 120.5 Ų | 120.5 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | | | trans | -55.7 | 124.9 | -177.7 | 21.6 | -28.9 | 0 | 0 | 0 | 108 | V123 | P108-V123 HydrophobicContact CB-CB 4.45Å; P108-V123 HydrophobicContact CG-CB 4.37Å; P108-V123 WeakPolarHBondContact CG-O 3.24Å; P108-V123 WeakPolarHBondContact O-CB 3.34Å; P108-V123 PolarHBondContact O-N 3.24Å |
| 109 | S | 77.1 | Confident | 70.3 | Confident | 67 Ų | 67 | 118.8 Ų | 118.8 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.8 | -176.6 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | L107 V121 | L107-S109 PolarHBondContact O-N 3.33Å; L107-S109 VanDerWaalsContact O-N 3.09Å; S109-V121 CarbonylContact C-O 3.46Å; S109-V121 WeakPolarHBondContact CA-O 3.24Å; S109-V121 WeakPolarHBondContact CB-O 3.17Å |
| 110 | I | 80.8 | Confident | 71.3 | Confident | 93 Ų | 93 | 119.1 Ų | 119.1 | 48% | 0.477 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.2 | 178.2 | -62.3 | 174.3 | 0 | 0 | 0 | 108 | L112 V121 V123 | I110-L112 HydrophobicContact CB-CD1 4.1Å; I110-L112 HydrophobicContact CG2-CD1 3.96Å; I110-L112 HydrophobicContact CG2-CG 3.98Å; I110-L112 PolarHBondContact O-N 3Å; I110-V121 PolarHBondContact N-O 2.64Å; I110-V121 PolarHBondContact O-N 3.37Å; I110-V123 HydrophobicContact CB-CG2 4.32Å; I110-V123 HydrophobicContact CD1-CG2 3.5Å; I110-V123 VanDerWaalsContact CD1-CG2 3.5Å; I110-V123 HydrophobicContact CG1-CG2 3.61Å |
| 111 | R | 81.4 | Confident | 72.6 | Confident | 208 Ų | 208 | 115.7 Ų | 115.7 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 112 | 169.5 | -77.8 | 180 | -167.3 | -149.4 | 8 | 109.1 | R119 N120 | R111-R119 WeakPolarHBondContact CA-O 3.48Å; R111-N120 WeakPolarHBondContact CG-OD1 3.24Å |
| 112 | L | 84 | Confident | 74.1 | Confident | 81 Ų | 81 | 115.1 Ų | 115.1 | 42% | 0.424 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.4 | 175.3 | -69.6 | 127.1 | 0 | 0 | 0 | 109.3 | I110 I114 R119 V121 | I110-L112 HydrophobicContact CB-CD1 4.1Å; I110-L112 HydrophobicContact CG2-CD1 3.96Å; I110-L112 HydrophobicContact CG2-CG 3.98Å; I110-L112 PolarHBondContact O-N 3Å; L112-I114 HydrophobicContact CB-CG1 4.43Å; L112-R119 PolarHBondContact N-O 3.39Å; L112-R119 PolarHBondContact O-N 3.22Å; L112-V121 HydrophobicContact CB-CG2 4.4Å; L112-V121 HydrophobicContact CD1-CB 3.71Å; L112-V121 HydrophobicContact CD1-CG1 4.47Å; L112-V121 HydrophobicContact CD1-CG2 3.58Å |
| 113 | R | 85.1 | Confident | 75.6 | Confident | 213 Ų | 213 | 111 Ų | 111 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.8 | 168.6 | -71.7 | -177.3 | 173.7 | 178 | -2.5 | 107.7 | | |
| 114 | I | 82.3 | Confident | 76.9 | Confident | 69 Ų | 69 | 113.8 Ų | 113.8 | 35% | 0.354 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.5 | 174.4 | -51.2 | 178.5 | 0 | 0 | 0 | 106 | L112 S116 I117 R119 | L112-I114 HydrophobicContact CB-CG1 4.43Å; I114-S116 PolarHBondContact O-N 3.27Å; I114-I117 PolarHBondContact N-O 2.69Å; I114-I117 PolarHBondContact O-N 3.45Å; I114-I117 VanDerWaalsContact O-N 3.1Å; I114-R119 VanDerWaalsContact CG2-NH1 3.27Å |
| 115 | D | 81.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 112.7 Ų | 112.7 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 43.3 | -176.5 | -43.9 | -54.5 | 0 | 0 | 0 | 113.2 | I117 R119 | D115-I117 PolarHBondContact O-N 3.41Å; D115-R119 IonicContact OD2-NH1 3.77Å; D115-R119 IonicContact OD2-NH2 3.8Å |
| 116 | S | 76 | Confident | 79 | Confident | 117 Ų | 117 | 111 Ų | 111 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 0.6 | -174.3 | -56.5 | 0 | 0 | 0 | 0 | 115.8 | I114 | I114-S116 PolarHBondContact O-N 3.27Š|
| 117 | I | 82.6 | Confident | 79.5 | Confident | 91 Ų | 91 | 112 Ų | 112 | 47% | 0.467 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.1 | 177.7 | -58.7 | 167.9 | 0 | 0 | 0 | 109.2 | I114 D115 R119 | I114-I117 PolarHBondContact N-O 2.69Å; I114-I117 PolarHBondContact O-N 3.45Å; I114-I117 VanDerWaalsContact O-N 3.1Å; D115-I117 PolarHBondContact O-N 3.41Å; I117-R119 HydrophobicContact CG2-CG 4.35Å; I117-R119 PolarHBondContact O-N 3.49Å |
| 118 | P | 83.8 | Confident | 79.6 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.5 | 173.4 | 27.9 | -32.3 | 0 | 0 | 0 | 110.4 | | |
| 119 | R | 84.6 | Confident | 78.9 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 33% | 0.332 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.5 | 176.2 | -63.3 | -178 | -175.8 | 141.6 | 7.6 | 109.7 | R111 L112 I114 D115 I117 | R111-R119 WeakPolarHBondContact CA-O 3.48Å; L112-R119 PolarHBondContact N-O 3.39Å; L112-R119 PolarHBondContact O-N 3.22Å; I114-R119 VanDerWaalsContact CG2-NH1 3.27Å; D115-R119 IonicContact OD2-NH1 3.77Å; D115-R119 IonicContact OD2-NH2 3.8Å; I117-R119 HydrophobicContact CG2-CG 4.35Å; I117-R119 PolarHBondContact O-N 3.49Å |
| 120 | N | 82.6 | Confident | 78.1 | Confident | 109 Ų | 109 | 119.1 Ų | 119.1 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.4 | 168.6 | -69 | -52.4 | 0 | 0 | 0 | 108.3 | R111 | R111-N120 WeakPolarHBondContact CG-OD1 3.24Å |
| 121 | V | 83 | Confident | 77.4 | Confident | 58 Ų | 58 | 120.9 Ų | 120.9 | 35% | 0.352 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 131 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | S109 I110 L112 | S109-V121 CarbonylContact C-O 3.46Å; S109-V121 WeakPolarHBondContact CA-O 3.24Å; S109-V121 WeakPolarHBondContact CB-O 3.17Å; I110-V121 PolarHBondContact N-O 2.64Å; I110-V121 PolarHBondContact O-N 3.37Å; L112-V121 HydrophobicContact CB-CG2 4.4Å; L112-V121 HydrophobicContact CD1-CB 3.71Å; L112-V121 HydrophobicContact CD1-CG1 4.47Å; L112-V121 HydrophobicContact CD1-CG2 3.58Å |
| 122 | L | 84.3 | Confident | 76.5 | Confident | 111 Ų | 111 | 120.5 Ų | 120.5 | 58% | 0.581 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.6 | 173 | -58.9 | 179.8 | 0 | 0 | 0 | 109.2 | L107 | L107-L122 HydrophobicContact CB-CD2 3.98Å; L107-L122 HydrophobicContact CD1-CD1 3.91Å |
| 123 | V | 81.8 | Confident | 76 | Confident | 59 Ų | 59 | 118.9 Ų | 118.9 | 36% | 0.358 | 65% | 0.648 | S | S | . | * | | | trans | -90.7 | 116.2 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | P108 I110 | P108-V123 HydrophobicContact CB-CB 4.45Å; P108-V123 HydrophobicContact CG-CB 4.37Å; P108-V123 WeakPolarHBondContact CG-O 3.24Å; P108-V123 WeakPolarHBondContact O-CB 3.34Å; P108-V123 PolarHBondContact O-N 3.24Å; I110-V123 HydrophobicContact CB-CG2 4.32Å; I110-V123 HydrophobicContact CD1-CG2 3.5Å; I110-V123 VanDerWaalsContact CD1-CG2 3.5Å; I110-V123 HydrophobicContact CG1-CG2 3.61Å |
| 124 | Q | 79.6 | Confident | 75.5 | Confident | 168 Ų | 168 | 114.6 Ų | 114.6 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | | | trans | -106.2 | 106.6 | 171.2 | -172.9 | 164 | -12.7 | 0 | 0 | 108.2 | F126 | Q124-F126 PolarHBondContact O-N 2.91Š|
| 125 | C | 77.1 | Confident | 75 | Confident | 119 Ų | 119 | 120.7 Ų | 120.7 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | | | trans | -78.8 | 109.5 | 168.4 | -170.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 126 | F | 74 | Confident | 74.7 | Confident | 171 Ų | 171 | 120.4 Ų | 120.4 | 75% | 0.75 | 69% | 0.692 | S | S | * | * | | | trans | -91.7 | 115.7 | 167.5 | 53.1 | -88.6 | 0 | 0 | 0 | 107.6 | Q124 S128 | Q124-F126 PolarHBondContact O-N 2.91Å; F126-S128 PolarHBondContact O-N 2.72Å |
| 127 | S | 69.5 | Low | 74.6 | Confident | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | | | trans | -84.4 | 110.9 | 170.1 | 65.6 | 0 | 0 | 0 | 0 | 108.6 | G129 | S127-G129 PolarHBondContact O-N 2.85Š|
| 128 | S | 65.6 | Low | 74.1 | Confident | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | -80.5 | 64.3 | 162.2 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | F126 R130 | F126-S128 PolarHBondContact O-N 2.72Å; S128-R130 PolarHBondContact O-N 3.39Å |
| 129 | G | 59.3 | Low | 73.6 | Confident | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | | | trans | -79 | 103.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | S127 | S127-G129 PolarHBondContact O-N 2.85Š|
| 130 | R | 61.9 | Low | 72.9 | Confident | 233 Ų | 233 | 125.9 Ų | 125.9 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | | | trans | -73.4 | 133.2 | 156.4 | -65.7 | -178.9 | -176.4 | -99.1 | 0.9 | 106.4 | S128 F132 | S128-R130 PolarHBondContact O-N 3.39Å; R130-F132 PolarHBondContact O-N 3.31Å; R130-F132 VanDerWaalsContact O-N 3.07Å |
| 131 | P | 65.7 | Low | 72.2 | Confident | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | | | trans | -62.2 | 114.9 | 168.3 | 25.8 | -30.7 | 0 | 0 | 0 | 107.7 | G133 | P131-G133 PolarHBondContact O-N 3.35Š|
| 132 | F | 62.7 | Low | 71.5 | Confident | 201 Ų | 201 | 131.9 Ų | 131.9 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | | | trans | -81.2 | 105.1 | 164 | -162.8 | -92.5 | 0 | 0 | 0 | 105.8 | R130 | R130-F132 PolarHBondContact O-N 3.31Å; R130-F132 VanDerWaalsContact O-N 3.07Å |
| 133 | G | 73.3 | Confident | 70.5 | Confident | 46 Ų | 46 | 133.5 Ų | 133.5 | 47% | 0.474 | 78% | 0.776 | S | S | . | * | | | trans | -69 | 162.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | P131 | P131-G133 PolarHBondContact O-N 3.35Š|
| 134 | P | 73.5 | Confident | 69.5 | Low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | trans | -60.5 | 160.2 | 174.5 | 27.2 | -33.7 | 0 | 0 | 0 | 111.8 | | |
| 135 | P | 72.4 | Confident | 68.6 | Low | 198 Ų | 198 | 137.2 Ų | 137.2 | 100% | 1.286 | 81% | 0.813 | S | S | * | * | | | trans | -60.5 | 0 | -176.7 | 28.2 | -37.3 | 0 | 0 | 0 | 113.9 | | |