| 1 | M | 53.4 | Low | 73.9 | Confident | 226 Ų | 226 | 116.4 Ų | 116.4 | 100% | 1.113 | 59% | 0.593 | S | S | * | * | | | | 0 | 85.3 | 0 | -77.7 | 165.4 | 87.3 | 0 | 0 | 110.2 | K3 | M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.35Å |
| 2 | N | 59.7 | Low | 74.3 | Confident | 99 Ų | 99 | 111.7 Ų | 111.7 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | | | trans | 32.6 | 30.8 | 139.3 | -54.4 | 3 | 0 | 0 | 0 | 120.9 | S4 I5 Y6 | N2-S4 PolarHBondContact O-N 3.44Å; N2-I5 HydrophobicContact CB-CB 4.09Å; N2-I5 HydrophobicContact CB-CD1 3.7Å; N2-I5 HydrophobicContact CB-CG1 3.87Å; N2-I5 WeakPolarHBondContact ND2-CD1 3.36Å; N2-I5 PolarHBondContact O-N 3.27Å; N2-Y6 WeakPolarHBondContact O-CD2 3.47Å; N2-Y6 PolarHBondContact O-N 3.17Å |
| 3 | K | 70.9 | Confident | 74.7 | Confident | 176 Ų | 176 | 109.8 Ų | 109.8 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -52.4 | -35.3 | 169.7 | -71.8 | -175.2 | 177.6 | -178.7 | 0 | 112 | M1 I5 Y6 V7 | M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.35Å; K3-I5 VanDerWaalsContact C-N 3.33Å; K3-I5 PolarHBondContact O-N 3.03Å; K3-Y6 PolarHBondContact O-N 3.25Å; K3-V7 WeakPolarHBondContact O-CG2 3.45Å; K3-V7 PolarHBondContact O-N 3.09Å |
| 4 | S | 71.5 | Confident | 74.9 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -36.5 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | N2 V7 L8 | N2-S4 PolarHBondContact O-N 3.44Å; S4-V7 PolarHBondContact O-N 3.36Å; S4-L8 WeakPolarHBondContact O-CG 3.34Å; S4-L8 PolarHBondContact O-N 2.8Å; S4-L8 VanDerWaalsContact O-N 3.17Å |
| 5 | I | 77.7 | Confident | 75 | Confident | 79 Ų | 79 | 105.3 Ų | 105.3 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.3 | -41.4 | -177.9 | -57.6 | -175 | 0 | 0 | 0 | 110.5 | N2 K3 V7 L8 I9 | N2-I5 HydrophobicContact CB-CB 4.09Å; N2-I5 HydrophobicContact CB-CD1 3.7Å; N2-I5 HydrophobicContact CB-CG1 3.87Å; N2-I5 WeakPolarHBondContact ND2-CD1 3.36Å; N2-I5 PolarHBondContact O-N 3.27Å; K3-I5 VanDerWaalsContact C-N 3.33Å; K3-I5 PolarHBondContact O-N 3.03Å; I5-V7 VanDerWaalsContact C-N 3.31Å; I5-V7 PolarHBondContact O-N 2.96Å; I5-L8 PolarHBondContact O-N 3.42Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.14Å; I5-I9 PolarHBondContact O-N 3.33Å |
| 6 | Y | 79 | Confident | 74.8 | Confident | 168 Ų | 168 | 104.1 Ų | 104.1 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -40 | 176.5 | -73.1 | -71.5 | 0 | 0 | 0 | 112.3 | N2 K3 I9 T10 | N2-Y6 WeakPolarHBondContact O-CD2 3.47Å; N2-Y6 PolarHBondContact O-N 3.17Å; K3-Y6 PolarHBondContact O-N 3.25Å; Y6-I9 PolarHBondContact O-N 3.47Å; Y6-T10 WeakPolarHBondContact O-CG2 3.44Å; Y6-T10 PolarHBondContact O-N 2.87Å; Y6-T10 PolarHBondContact O-OG1 3.21Å |
| 7 | V | 78.9 | Confident | 74.4 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | K3 S4 I5 I9 T10 I11 | K3-V7 WeakPolarHBondContact O-CG2 3.45Å; K3-V7 PolarHBondContact O-N 3.09Å; S4-V7 PolarHBondContact O-N 3.36Å; I5-V7 VanDerWaalsContact C-N 3.31Å; I5-V7 PolarHBondContact O-N 2.96Å; V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 PolarHBondContact O-N 3.35Å; V7-T10 WeakPolarHBondContact CA-OG1 3.1Å; V7-T10 PolarHBondContact O-N 3.16Å; V7-T10 PolarHBondContact O-OG1 2.8Å; V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.44Å; V7-I11 VanDerWaalsContact O-CG1 3.3Å; V7-I11 WeakPolarHBondContact O-CG1 3.25Å; V7-I11 PolarHBondContact O-N 3.26Å |
| 8 | L | 79.1 | Confident | 73.9 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.6 | -41.7 | 177.3 | -69.5 | 171.4 | 0 | 0 | 0 | 112.1 | S4 I5 I11 S12 | S4-L8 WeakPolarHBondContact O-CG 3.34Å; S4-L8 PolarHBondContact O-N 2.8Å; S4-L8 VanDerWaalsContact O-N 3.17Å; I5-L8 PolarHBondContact O-N 3.42Å; L8-I11 PolarHBondContact O-N 3.14Å; L8-S12 PolarHBondContact O-N 2.83Å |
| 9 | I | 81.1 | Confident | 73.3 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 43% | 0.426 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -47.4 | 176.1 | -67 | 167 | 0 | 0 | 0 | 110.3 | I5 Y6 V7 I11 S12 I13 | I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.14Å; I5-I9 PolarHBondContact O-N 3.33Å; Y6-I9 PolarHBondContact O-N 3.47Å; V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 PolarHBondContact O-N 3.35Å; I9-I11 VanDerWaalsContact C-N 3.34Å; I9-I11 PolarHBondContact O-N 3.49Å; I9-S12 PolarHBondContact O-N 2.75Å; I9-S12 PolarHBondContact O-OG 3.31Å; I9-I13 HydrophobicContact CG2-CD1 3.9Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 3.05Å; I9-I13 VanDerWaalsContact O-N 3.09Å |
| 10 | T | 79.7 | Confident | 72.6 | Confident | 80 Ų | 80 | 107.1 Ų | 107.1 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -39.5 | 179.4 | 51 | 0 | 0 | 0 | 0 | 113 | Y6 V7 I13 V14 | Y6-T10 WeakPolarHBondContact O-CG2 3.44Å; Y6-T10 PolarHBondContact O-N 2.87Å; Y6-T10 PolarHBondContact O-OG1 3.21Å; V7-T10 WeakPolarHBondContact CA-OG1 3.1Å; V7-T10 PolarHBondContact O-N 3.16Å; V7-T10 PolarHBondContact O-OG1 2.8Å; T10-I13 PolarHBondContact O-N 3.24Å; T10-V14 WeakPolarHBondContact O-CG2 3.24Å; T10-V14 PolarHBondContact O-N 2.83Å; T10-V14 VanDerWaalsContact O-N 3.13Å |
| 11 | I | 82.1 | Confident | 71.7 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -42.5 | 176.4 | -67.5 | 166 | 0 | 0 | 0 | 110.2 | V7 L8 I9 I13 V14 C15 | V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.44Å; V7-I11 VanDerWaalsContact O-CG1 3.3Å; V7-I11 WeakPolarHBondContact O-CG1 3.25Å; V7-I11 PolarHBondContact O-N 3.26Å; L8-I11 PolarHBondContact O-N 3.14Å; I9-I11 VanDerWaalsContact C-N 3.34Å; I9-I11 PolarHBondContact O-N 3.49Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 2.89Å; I11-V14 PolarHBondContact O-N 2.82Å; I11-C15 PolarHBondContact O-N 2.81Å; I11-C15 PolarHBondContact O-SG 3.4Å; I11-C15 VanDerWaalsContact O-SG 3.36Å |
| 12 | S | 79.1 | Confident | 71.5 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.1 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | L8 I9 C15 V16 | L8-S12 PolarHBondContact O-N 2.83Å; I9-S12 PolarHBondContact O-N 2.75Å; I9-S12 PolarHBondContact O-OG 3.31Å; S12-C15 PolarHBondContact O-N 3.13Å; S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.31Å; S12-V16 PolarHBondContact O-N 2.85Å |
| 13 | I | 78.8 | Confident | 71.2 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 45% | 0.451 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 179 | -65.5 | 166.1 | 0 | 0 | 0 | 110.6 | I9 T10 I11 N17 | I9-I13 HydrophobicContact CG2-CD1 3.9Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 3.05Å; I9-I13 VanDerWaalsContact O-N 3.09Å; T10-I13 PolarHBondContact O-N 3.24Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 2.89Å; I13-N17 WeakPolarHBondContact O-CB 3.19Å; I13-N17 PolarHBondContact O-N 2.73Å; I13-N17 PolarHBondContact O-ND2 3.29Å |
| 14 | V | 77.4 | Confident | 70.4 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -44.8 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | T10 I11 N17 W18 | T10-V14 WeakPolarHBondContact O-CG2 3.24Å; T10-V14 PolarHBondContact O-N 2.83Å; T10-V14 VanDerWaalsContact O-N 3.13Å; I11-V14 PolarHBondContact O-N 2.82Å; V14-N17 PolarHBondContact O-N 2.84Å; V14-W18 WeakPolarHBondContact O-CB 3.32Å; V14-W18 PolarHBondContact O-N 2.83Å |
| 15 | C | 76.2 | Confident | 69.4 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 178.5 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | I11 S12 W18 I19 | I11-C15 PolarHBondContact O-N 2.81Å; I11-C15 PolarHBondContact O-SG 3.4Å; I11-C15 VanDerWaalsContact O-SG 3.36Å; S12-C15 PolarHBondContact O-N 3.13Å; C15-W18 PolarHBondContact O-N 2.82Å; C15-I19 WeakPolarHBondContact O-CG1 3.25Å; C15-I19 PolarHBondContact O-N 3.13Å |
| 16 | V | 72.6 | Confident | 68 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | S12 W18 I19 T20 | S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.31Å; S12-V16 PolarHBondContact O-N 2.85Å; V16-W18 VanDerWaalsContact C-N 3.27Å; V16-W18 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 2.78Å; V16-T20 HydrophobicContact CG1-CG2 4.44Å; V16-T20 WeakPolarHBondContact O-CG2 3.36Å; V16-T20 PolarHBondContact O-N 2.65Å; V16-T20 PolarHBondContact O-OG1 3.27Å; V16-T20 VanDerWaalsContact O-OG1 3.1Å |
| 17 | N | 67 | Low | 66.3 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -36.4 | 177.8 | -79.4 | -24.5 | 0 | 0 | 0 | 112.3 | I13 V14 T20 L21 | I13-N17 WeakPolarHBondContact O-CB 3.19Å; I13-N17 PolarHBondContact O-N 2.73Å; I13-N17 PolarHBondContact O-ND2 3.29Å; V14-N17 PolarHBondContact O-N 2.84Å; N17-T20 VanDerWaalsContact C-OG1 3.31Å; N17-T20 VanDerWaalsContact CA-OG1 3.23Å; N17-T20 WeakPolarHBondContact CA-OG1 3.39Å; N17-T20 PolarHBondContact O-N 3.46Å; N17-T20 PolarHBondContact O-OG1 3.25Å; N17-L21 WeakPolarHBondContact O-CB 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.25Å; N17-L21 PolarHBondContact O-N 2.99Å |
| 18 | W | 66.3 | Low | 64.8 | Low | 194 Ų | 194 | 106.9 Ų | 106.9 | 74% | 0.735 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.4 | -46 | 177.4 | -124.8 | -2.2 | 0 | 0 | 0 | 112.2 | V14 C15 V16 T20 L21 D22 | V14-W18 WeakPolarHBondContact O-CB 3.32Å; V14-W18 PolarHBondContact O-N 2.83Å; C15-W18 PolarHBondContact O-N 2.82Å; V16-W18 VanDerWaalsContact C-N 3.27Å; V16-W18 PolarHBondContact O-N 3.47Å; W18-T20 VanDerWaalsContact C-N 3.26Å; W18-T20 PolarHBondContact O-N 2.95Å; W18-L21 PolarHBondContact O-N 3.23Å; W18-L21 VanDerWaalsContact O-N 3.15Å; W18-D22 PolarHBondContact O-N 3Å |
| 19 | I | 61.9 | Low | 63.1 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.3 | -38.5 | 175.6 | -63.4 | 162.6 | 0 | 0 | 0 | 110.2 | C15 V16 D22 A23 | C15-I19 WeakPolarHBondContact O-CG1 3.25Å; C15-I19 PolarHBondContact O-N 3.13Å; V16-I19 PolarHBondContact O-N 2.78Å; I19-D22 PolarHBondContact O-N 2.67Å; I19-A23 WeakPolarHBondContact O-CB 3.35Å; I19-A23 PolarHBondContact O-N 3.22Å |
| 20 | T | 58.8 | Low | 61.1 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 45% | 0.454 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.6 | -25.2 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | V16 N17 W18 | V16-T20 HydrophobicContact CG1-CG2 4.44Å; V16-T20 WeakPolarHBondContact O-CG2 3.36Å; V16-T20 PolarHBondContact O-N 2.65Å; V16-T20 PolarHBondContact O-OG1 3.27Å; V16-T20 VanDerWaalsContact O-OG1 3.1Å; N17-T20 VanDerWaalsContact C-OG1 3.31Å; N17-T20 VanDerWaalsContact CA-OG1 3.23Å; N17-T20 WeakPolarHBondContact CA-OG1 3.39Å; N17-T20 PolarHBondContact O-N 3.46Å; N17-T20 PolarHBondContact O-OG1 3.25Å; W18-T20 VanDerWaalsContact C-N 3.26Å; W18-T20 PolarHBondContact O-N 2.95Å |
| 21 | L | 53.7 | Low | 59.4 | Low | 112 Ų | 112 | 116 Ų | 116 | 59% | 0.586 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.1 | -37.9 | 172.1 | -82.8 | 164 | 0 | 0 | 0 | 111 | N17 W18 | N17-L21 WeakPolarHBondContact O-CB 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.25Å; N17-L21 PolarHBondContact O-N 2.99Å; W18-L21 PolarHBondContact O-N 3.23Å; W18-L21 VanDerWaalsContact O-N 3.15Å |
| 22 | D | 49.9 | Very low | 57.6 | Low | 154 Ų | 154 | 117.4 Ų | 117.4 | 82% | 0.824 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -24.3 | 177.1 | -130.9 | 13.4 | 0 | 0 | 0 | 112.5 | W18 I19 | W18-D22 PolarHBondContact O-N 3Å; I19-D22 PolarHBondContact O-N 2.67Å |
| 23 | A | 53.4 | Low | 55.6 | Low | 70 Ų | 70 | 118.9 Ų | 118.9 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 4.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I19 P25 | I19-A23 WeakPolarHBondContact O-CB 3.35Å; I19-A23 PolarHBondContact O-N 3.22Å; A23-P25 WeakPolarHBondContact O-CD 3.47Å |
| 24 | K | 54.6 | Low | 53.8 | Low | 149 Ų | 149 | 124.3 Ų | 124.3 | 65% | 0.648 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.7 | 111.4 | 167.3 | -77.5 | -172.7 | 179.9 | -179.4 | 0 | 107.5 | V26 | K24-V26 PolarHBondContact O-N 2.89Š|
| 25 | P | 50.9 | Low | 52.2 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | | | trans | -59.6 | 119.3 | 172.6 | 26.5 | -31.8 | 0 | 0 | 0 | 106.3 | A23 H27 | A23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-H27 PolarHBondContact O-N 3.1Å |
| 26 | V | 48.6 | Very low | 50.3 | Low | 123 Ų | 123 | 124.9 Ų | 124.9 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | | | trans | -55.7 | 100.5 | 160.7 | -179.6 | 0 | 0 | 0 | 0 | 104.1 | K24 L28 | K24-V26 PolarHBondContact O-N 2.89Å; V26-L28 HydrophobicContact CG1-CD2 4.24Å; V26-L28 HydrophobicContact CG1-CG 3.96Å; V26-L28 PolarHBondContact O-N 2.91Å |
| 27 | H | 42.8 | Very low | 48.6 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | | | trans | -65.7 | 80.2 | 164.2 | -73.9 | -80.6 | 0 | 0 | 0 | 105.3 | P25 K29 | P25-H27 PolarHBondContact O-N 3.1Å; H27-K29 PolarHBondContact O-N 2.95Å |
| 28 | L | 46.3 | Very low | 47.6 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | trans | -56.1 | 99.6 | 156.7 | -75.1 | 167.3 | 0 | 0 | 0 | 103.9 | V26 S30 | V26-L28 HydrophobicContact CG1-CD2 4.24Å; V26-L28 HydrophobicContact CG1-CG 3.96Å; V26-L28 PolarHBondContact O-N 2.91Å; L28-S30 PolarHBondContact O-N 2.75Å |
| 29 | K | 44.3 | Very low | 46.5 | Very low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -56.2 | 94.5 | 161 | -81.3 | 178.8 | 171.1 | -178.3 | 0 | 105.2 | H27 E31 | H27-K29 PolarHBondContact O-N 2.95Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.94Å; K29-E31 VanDerWaalsContact O-N 3.13Å |
| 30 | S | 39.8 | Very low | 46.2 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | | | trans | -67.4 | 106.1 | 153.6 | 53.5 | 0 | 0 | 0 | 0 | 104.8 | L28 T32 | L28-S30 PolarHBondContact O-N 2.75Å; S30-T32 PolarHBondContact O-N 3.03Å; S30-T32 PolarHBondContact O-OG1 3.44Å |
| 31 | E | 43.4 | Very low | 45.2 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | -60 | 79.8 | 153 | -79 | 179.3 | 159.2 | 0 | 0 | 106.5 | K29 S33 | K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 2.94Å; K29-E31 VanDerWaalsContact O-N 3.13Å; E31-S33 PolarHBondContact O-N 2.9Å |
| 32 | T | 43.3 | Very low | 45 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | -75 | 90.8 | 161.6 | 30 | 0 | 0 | 0 | 0 | 104.7 | S30 E34 | S30-T32 PolarHBondContact O-N 3.03Å; S30-T32 PolarHBondContact O-OG1 3.44Å; T32-E34 PolarHBondContact O-N 3.04Å |
| 33 | S | 37.9 | Very low | 44.7 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | trans | -52.6 | 128.4 | 175.3 | 58.1 | 0 | 0 | 0 | 0 | 109.6 | E31 S35 | E31-S33 PolarHBondContact O-N 2.9Å; S33-S35 PolarHBondContact O-N 3.35Å |
| 34 | E | 41.1 | Very low | 44.4 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -68.5 | 64.6 | 172.9 | -164.8 | 179.7 | -165.8 | 0 | 0 | 110.1 | T32 | T32-E34 PolarHBondContact O-N 3.04Š|
| 35 | S | 43.5 | Very low | 44.1 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -168.5 | 114.7 | 169.8 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | S33 | S33-S35 PolarHBondContact O-N 3.35Š|
| 36 | G | 35.8 | Very low | 44.2 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -58.1 | 152.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | D | 36.9 | Very low | 44.2 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | trans | 60.6 | 75.9 | 168.9 | -78.5 | -16.4 | 0 | 0 | 0 | 116.5 | | |
| 38 | E | 46.5 | Very low | 44.4 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -151.6 | 101.8 | 143.4 | -120.5 | 171.5 | -169.5 | 0 | 0 | 111.6 | L40 | E38-L40 HydrophobicContact CB-CG 4.44Å; E38-L40 PolarHBondContact O-N 3.35Å |
| 39 | L | 43.9 | Very low | 44.5 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 96% | 0.963 | 76% | 0.759 | S | S | * | * | | | trans | -61.9 | 80.3 | 164.1 | -102.1 | 149.6 | 0 | 0 | 0 | 109 | D41 | L39-D41 PolarHBondContact O-N 2.97Å; L39-D41 VanDerWaalsContact O-N 3.16Å |
| 40 | L | 54 | Low | 45.4 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | | | trans | -82.5 | 90.1 | 171.8 | -76.2 | 167.3 | 0 | 0 | 0 | 109.6 | E38 I42 | E38-L40 HydrophobicContact CB-CG 4.44Å; E38-L40 PolarHBondContact O-N 3.35Å; L40-I42 WeakPolarHBondContact O-CG1 3.42Å; L40-I42 PolarHBondContact O-N 2.87Å |
| 41 | D | 39.7 | Very low | 46 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | | 11.4 | 89.5 | 127.1 | -158.1 | 13.5 | 0 | 0 | 0 | 115.9 | L39 | L39-D41 PolarHBondContact O-N 2.97Å; L39-D41 VanDerWaalsContact O-N 3.16Å |
| 42 | I | 49.2 | Very low | 46.8 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | -116.9 | 54.6 | 163.9 | -41.6 | 177 | 0 | 0 | 0 | 108.5 | L40 K44 | L40-I42 WeakPolarHBondContact O-CG1 3.42Å; L40-I42 PolarHBondContact O-N 2.87Å; I42-K44 PolarHBondContact O-N 2.82Å |
| 43 | N | 43.3 | Very low | 47.5 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | trans | -82.3 | 75 | 152.5 | -158.4 | 23.2 | 0 | 0 | 0 | 107.1 | | |
| 44 | K | 46.6 | Very low | 48.5 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | | | trans | -130.6 | 110.4 | 170.8 | -76.7 | -163.3 | 176.4 | -178.6 | 0 | 109.7 | I42 D46 | I42-K44 PolarHBondContact O-N 2.82Å; K44-D46 PolarHBondContact O-N 3.1Å |
| 45 | D | 48.4 | Very low | 49.6 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -57.6 | 30.9 | 174.8 | -76.1 | -47.3 | 0 | 0 | 0 | 115.5 | | |
| 46 | D | 52.5 | Low | 50.4 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | | | trans | -116.3 | 37 | -179 | -81.5 | -33 | 0 | 0 | 0 | 111.9 | K44 Y48 | K44-D46 PolarHBondContact O-N 3.1Å; D46-Y48 PolarHBondContact O-N 2.83Å |
| 47 | Q | 48.2 | Very low | 51.7 | Low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 67% | 0.669 | S | S | * | * | | | trans | -76.5 | 69.5 | 171.1 | -144.9 | 176.4 | 49 | 0 | 0 | 109.3 | S49 | Q47-S49 PolarHBondContact O-N 3.38Š|
| 48 | Y | 48.2 | Very low | 52.8 | Low | 169 Ų | 169 | 136 Ų | 136 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | | | trans | -55.9 | 109.2 | 157.6 | -77.7 | -81.5 | 0 | 0 | 0 | 106.5 | D46 D50 | D46-Y48 PolarHBondContact O-N 2.83Å; Y48-D50 PolarHBondContact O-N 2.98Å |
| 49 | S | 49 | Very low | 53.4 | Low | 74 Ų | 74 | 135 Ų | 135 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | | | trans | -49.7 | 126.3 | 174 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | Q47 Y51 D52 | Q47-S49 PolarHBondContact O-N 3.38Å; S49-Y51 PolarHBondContact O-N 2.94Å; S49-D52 PolarHBondContact O-N 3.34Å |
| 50 | D | 61.7 | Low | 53.9 | Low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -42.9 | -23.3 | 176.8 | -88.5 | -32.3 | 0 | 0 | 0 | 113 | Y48 L54 | Y48-D50 PolarHBondContact O-N 2.98Å; D50-L54 WeakPolarHBondContact O-CB 3.4Å; D50-L54 VanDerWaalsContact O-CD1 3.31Å; D50-L54 WeakPolarHBondContact O-CD1 3.32Å; D50-L54 WeakPolarHBondContact O-CG 3.04Å; D50-L54 PolarHBondContact O-N 3.37Å |
| 51 | Y | 53.9 | Low | 53.7 | Low | 175 Ų | 175 | 129.5 Ų | 129.5 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -36.3 | 176.2 | -143.5 | -92.8 | 0 | 0 | 0 | 115.2 | S49 K55 | S49-Y51 PolarHBondContact O-N 2.94Å; Y51-K55 VanDerWaalsContact O-CB 3.25Å; Y51-K55 WeakPolarHBondContact O-CB 3.3Å; Y51-K55 PolarHBondContact O-N 3.3Å |
| 52 | D | 59.3 | Low | 54 | Low | 93 Ų | 93 | 127.3 Ų | 127.3 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.8 | -30.6 | 178.7 | -78.1 | -28.2 | 0 | 0 | 0 | 111.8 | S49 R56 | S49-D52 PolarHBondContact O-N 3.34Å; D52-R56 WeakPolarHBondContact O-CB 3.34Å; D52-R56 PolarHBondContact O-N 3.36Å |
| 53 | E | 57.7 | Low | 54 | Low | 83 Ų | 83 | 126.9 Ų | 126.9 | 39% | 0.388 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.6 | -41.5 | 169.4 | -88.5 | -154.6 | 136.3 | 0 | 0 | 112.4 | K55 R56 I57 | E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.9Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 3.43Å; E53-R56 IonicContact OE1-CZ 3.67Å; E53-R56 IonicContact OE1-NH1 3.86Å; E53-R56 IonicContact OE1-NH2 2.84Å; E53-R56 PolarHBondContact OE1-NH2 3Å; E53-I57 WeakPolarHBondContact O-CD1 3.47Å; E53-I57 VanDerWaalsContact O-CG1 3.25Å; E53-I57 WeakPolarHBondContact O-CG1 3.4Å; E53-I57 PolarHBondContact O-N 3.15Å |
| 54 | L | 59.9 | Low | 54.3 | Low | 89 Ų | 89 | 126.4 Ų | 126.4 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.6 | -43.3 | 171.7 | -77.8 | 164.7 | 0 | 0 | 0 | 110.8 | D50 R56 I57 F58 | D50-L54 WeakPolarHBondContact O-CB 3.4Å; D50-L54 VanDerWaalsContact O-CD1 3.31Å; D50-L54 WeakPolarHBondContact O-CD1 3.32Å; D50-L54 WeakPolarHBondContact O-CG 3.04Å; D50-L54 PolarHBondContact O-N 3.37Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.41Å; L54-I57 PolarHBondContact O-N 3.32Å; L54-F58 HydrophobicContact CD2-CE2 4.3Å; L54-F58 VanDerWaalsContact O-CD2 3.24Å; L54-F58 WeakPolarHBondContact O-CD2 3.39Å; L54-F58 PolarHBondContact O-N 2.91Å |
| 55 | K | 63.4 | Low | 54.3 | Low | 104 Ų | 104 | 126 Ų | 126 | 45% | 0.452 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.5 | -36.2 | 176.4 | -167.5 | 176.5 | 178.4 | -172.4 | 0 | 112.3 | Y51 E53 Q59 | Y51-K55 VanDerWaalsContact O-CB 3.25Å; Y51-K55 WeakPolarHBondContact O-CB 3.3Å; Y51-K55 PolarHBondContact O-N 3.3Å; E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.9Å; K55-Q59 HydrophobicContact CG-CG 4.3Å; K55-Q59 VanDerWaalsContact O-CB 3.25Å; K55-Q59 WeakPolarHBondContact O-CB 3.4Å; K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.41Å |
| 56 | R | 61.2 | Low | 54.2 | Low | 123 Ų | 123 | 129 Ų | 129 | 46% | 0.464 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -48.8 | 171.6 | -173 | -177.8 | 71.5 | -158.9 | -8 | 111.3 | D52 E53 L54 F58 Q59 E60 | D52-R56 WeakPolarHBondContact O-CB 3.34Å; D52-R56 PolarHBondContact O-N 3.36Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 3.43Å; E53-R56 IonicContact OE1-CZ 3.67Å; E53-R56 IonicContact OE1-NH1 3.86Å; E53-R56 IonicContact OE1-NH2 2.84Å; E53-R56 PolarHBondContact OE1-NH2 3Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.41Å; R56-F58 VanDerWaalsContact C-N 3.31Å; R56-F58 PolarHBondContact O-N 2.92Å; R56-Q59 PolarHBondContact O-N 3.3Å; R56-E60 HydrophobicContact CG-CG 4.17Å; R56-E60 WeakPolarHBondContact CG-OE2 3.43Å; R56-E60 WeakPolarHBondContact O-CB 3.3Å; R56-E60 PolarHBondContact O-N 3.06Å |
| 57 | I | 62.7 | Low | 54 | Low | 106 Ų | 106 | 131.2 Ų | 131.2 | 54% | 0.544 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.4 | -38.6 | -179 | -66 | 161.6 | 0 | 0 | 0 | 111.7 | E53 L54 | E53-I57 WeakPolarHBondContact O-CD1 3.47Å; E53-I57 VanDerWaalsContact O-CG1 3.25Å; E53-I57 WeakPolarHBondContact O-CG1 3.4Å; E53-I57 PolarHBondContact O-N 3.15Å; L54-I57 PolarHBondContact O-N 3.32Å |
| 58 | F | 59.4 | Low | 53.9 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -86.6 | -18.5 | -178.9 | -76.9 | -75.5 | 0 | 0 | 0 | 114.7 | L54 R56 | L54-F58 HydrophobicContact CD2-CE2 4.3Å; L54-F58 VanDerWaalsContact O-CD2 3.24Å; L54-F58 WeakPolarHBondContact O-CD2 3.39Å; L54-F58 PolarHBondContact O-N 2.91Å; R56-F58 VanDerWaalsContact C-N 3.31Å; R56-F58 PolarHBondContact O-N 2.92Å |
| 59 | Q | 59.3 | Low | 53.7 | Low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -104.8 | -23.1 | 179.5 | -65.6 | -173.9 | -19 | 0 | 0 | 114.3 | K55 R56 G61 | K55-Q59 HydrophobicContact CG-CG 4.3Å; K55-Q59 VanDerWaalsContact O-CB 3.25Å; K55-Q59 WeakPolarHBondContact O-CB 3.4Å; K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.41Å; R56-Q59 PolarHBondContact O-N 3.3Å; Q59-G61 VanDerWaalsContact C-N 3.27Å |
| 60 | E | 55.2 | Low | 53.8 | Low | 148 Ų | 148 | 130.6 Ų | 130.6 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -83.5 | -4.5 | 168.4 | -71.9 | -176.6 | 156.1 | 0 | 0 | 112.8 | R56 S62 | R56-E60 HydrophobicContact CG-CG 4.17Å; R56-E60 WeakPolarHBondContact CG-OE2 3.43Å; R56-E60 WeakPolarHBondContact O-CB 3.3Å; R56-E60 PolarHBondContact O-N 3.06Å; E60-S62 PolarHBondContact O-N 3.42Å |
| 61 | G | 48.2 | Very low | 53 | Low | 46 Ų | 46 | 130.9 Ų | 130.9 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | | | trans | -74.8 | 49.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | Q59 I63 | Q59-G61 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 2.99Å |
| 62 | S | 46.9 | Very low | 52.9 | Low | 91 Ų | 91 | 128.3 Ų | 128.3 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | | | trans | -61.9 | 98.6 | 148.9 | 171 | 0 | 0 | 0 | 0 | 105.4 | E60 N64 | E60-S62 PolarHBondContact O-N 3.42Å; S62-N64 PolarHBondContact O-N 2.94Å |
| 63 | I | 48.9 | Very low | 52.1 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | | | trans | -57.8 | 84.2 | 174.3 | -62 | 162.3 | 0 | 0 | 0 | 106.6 | G61 D65 | G61-I63 PolarHBondContact O-N 2.99Å; I63-D65 PolarHBondContact O-N 3.28Å; I63-D65 VanDerWaalsContact O-N 3.13Å |
| 64 | N | 50.3 | Low | 51.1 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 68% | 0.684 | S | S | * | * | | | trans | -63.5 | 112.4 | 157.8 | -78 | -43.2 | 0 | 0 | 0 | 103.8 | S62 R66 | S62-N64 PolarHBondContact O-N 2.94Å; N64-R66 PolarHBondContact O-N 3.13Å |
| 65 | D | 45.3 | Very low | 50.3 | Low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | | | trans | -55.7 | 60.9 | 169.4 | -73.1 | -40.9 | 0 | 0 | 0 | 111.6 | I63 | I63-D65 PolarHBondContact O-N 3.28Å; I63-D65 VanDerWaalsContact O-N 3.13Å |
| 66 | R | 47.7 | Very low | 49.5 | Very low | 226 Ų | 226 | 132.6 Ų | 132.6 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | | | trans | -105.8 | 79.8 | 170.3 | -76.6 | -170.5 | 173.2 | -174.9 | -0.7 | 106.3 | N64 | N64-R66 PolarHBondContact O-N 3.13Š|
| 67 | Q | 47.1 | Very low | 48.8 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -36 | 126.1 | 156.1 | -166.3 | 180 | 13.9 | 0 | 0 | 108.6 | T69 | Q67-T69 VanDerWaalsContact C-N 3.32Å; Q67-T69 PolarHBondContact O-N 3.39Å |
| 68 | P | 47.1 | Very low | 48 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | trans | -68.3 | 95.9 | 177.8 | 25.9 | -30.6 | 0 | 0 | 0 | 108.3 | K70 | P68-K70 PolarHBondContact O-N 3.39Š|
| 69 | T | 42.7 | Very low | 47.5 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -67 | 71.4 | 158.9 | 20.9 | 0 | 0 | 0 | 0 | 108 | Q67 T71 | Q67-T69 VanDerWaalsContact C-N 3.32Å; Q67-T69 PolarHBondContact O-N 3.39Å; T69-T71 PolarHBondContact O-N 3.06Å |
| 70 | K | 50.9 | Low | 46.7 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -88.9 | 92.1 | 165.3 | -80.6 | -171 | 177.1 | -179.1 | 0 | 108 | P68 T72 | P68-K70 PolarHBondContact O-N 3.39Å; K70-T72 PolarHBondContact O-N 3.13Å; K70-T72 VanDerWaalsContact O-N 3.14Å |
| 71 | T | 46.5 | Very low | 46.4 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | -40.5 | 106.4 | 156.4 | 33.4 | 0 | 0 | 0 | 0 | 111.2 | T69 | T69-T71 PolarHBondContact O-N 3.06Š|
| 72 | T | 50.7 | Low | 46.1 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -68.7 | 129.2 | 163.1 | -32.5 | 0 | 0 | 0 | 0 | 107.8 | K70 S74 | K70-T72 PolarHBondContact O-N 3.13Å; K70-T72 VanDerWaalsContact O-N 3.14Å; T72-S74 PolarHBondContact O-N 3Å |
| 73 | P | 42.1 | Very low | 45.9 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | -59.2 | 137 | 169.2 | 25 | -31.8 | 0 | 0 | 0 | 108.9 | M75 | P73-M75 VanDerWaalsContact C-N 3.34Å; P73-M75 PolarHBondContact O-N 3.49Å |
| 74 | S | 38 | Very low | 45.8 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -56.4 | 91.6 | 174.7 | 155.3 | 0 | 0 | 0 | 0 | 110.2 | T72 A76 | T72-S74 PolarHBondContact O-N 3Å; S74-A76 PolarHBondContact O-N 3.24Å |
| 75 | M | 42.5 | Very low | 45.5 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -80.3 | 96.5 | 159.8 | -86.1 | -168.1 | -73.3 | 0 | 0 | 107.5 | P73 T77 | P73-M75 VanDerWaalsContact C-N 3.34Å; P73-M75 PolarHBondContact O-N 3.49Å; M75-T77 VanDerWaalsContact C-N 3.35Å; M75-T77 PolarHBondContact O-N 2.97Å |
| 76 | A | 47.1 | Very low | 45.7 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -63.8 | 96.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S74 T78 | S74-A76 PolarHBondContact O-N 3.24Å; A76-T78 PolarHBondContact O-N 3.4Å |
| 77 | T | 45.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | trans | -86.1 | 99.3 | 169.9 | -52.8 | 0 | 0 | 0 | 0 | 106.9 | M75 T79 | M75-T77 VanDerWaalsContact C-N 3.35Å; M75-T77 PolarHBondContact O-N 2.97Å; T77-T79 PolarHBondContact O-N 2.84Å; T77-T79 VanDerWaalsContact O-N 3.09Å |
| 78 | T | 47.1 | Very low | 45.8 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 93.4 | 175.8 | -48.9 | 0 | 0 | 0 | 0 | 108.9 | A76 Q80 | A76-T78 PolarHBondContact O-N 3.4Å; T78-Q80 PolarHBondContact O-N 3.49Å |
| 79 | T | 47.6 | Very low | 46 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | -79.1 | 102.9 | 170.6 | -46.8 | 0 | 0 | 0 | 0 | 108.6 | T77 R81 | T77-T79 PolarHBondContact O-N 2.84Å; T77-T79 VanDerWaalsContact O-N 3.09Å; T79-R81 PolarHBondContact O-N 2.68Å |
| 80 | Q | 42.1 | Very low | 46.3 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | -65.5 | 109.8 | 171.4 | -147.2 | 175.7 | 21 | 0 | 0 | 108 | T78 | T78-Q80 PolarHBondContact O-N 3.49Š|
| 81 | R | 49.4 | Very low | 46.2 | Very low | 221 Ų | 221 | 139.5 Ų | 139.5 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -72.6 | 144.2 | 173.8 | -78.8 | -174.9 | 177.1 | -176.3 | -0.8 | 110 | T79 I83 | T79-R81 PolarHBondContact O-N 2.68Å; R81-I83 PolarHBondContact O-N 3.2Å |
| 82 | P | 43 | Very low | 46.5 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | -62.7 | 133.2 | 174.6 | 26.1 | -31.7 | 0 | 0 | 0 | 109.9 | T84 | P82-T84 PolarHBondContact O-N 3.27Å; P82-T84 PolarHBondContact O-OG1 2.97Å |
| 83 | I | 42.1 | Very low | 46.5 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | -61 | 108.3 | 178 | -54.4 | 162.1 | 0 | 0 | 0 | 106.9 | R81 | R81-I83 PolarHBondContact O-N 3.2Š|
| 84 | T | 46.9 | Very low | 46.6 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | trans | -119.1 | 108.3 | 169.5 | -33.8 | 0 | 0 | 0 | 0 | 106 | P82 S86 | P82-T84 PolarHBondContact O-N 3.27Å; P82-T84 PolarHBondContact O-OG1 2.97Å; T84-S86 PolarHBondContact O-N 3.39Å |
| 85 | E | 43.1 | Very low | 47.2 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -60.5 | 116.9 | 168.6 | -74.8 | 173.9 | 137.6 | 0 | 0 | 108.9 | | |
| 86 | S | 51.3 | Low | 47.4 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -175.1 | 99.8 | 150.8 | 48 | 0 | 0 | 0 | 0 | 110.2 | T84 | T84-S86 PolarHBondContact O-N 3.39Š|
| 87 | D | 44.5 | Very low | 47.4 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | 19 | 121.6 | 139.2 | -76.2 | -44.8 | 0 | 0 | 0 | 120 | | |
| 88 | K | 51.7 | Low | 47.2 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | | 78.6 | 132.1 | 128.1 | -72.1 | 176.8 | -179.6 | 171.1 | 0 | 121 | | |
| 89 | E | 51.7 | Low | 47.4 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 86.1 | 96.6 | 148.3 | -73.6 | 171 | -167.3 | 0 | 0 | 118 | | |
| 90 | D | 47.5 | Very low | 47.2 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | | 33.6 | 105.8 | 118.9 | -61.3 | -18.5 | 0 | 0 | 0 | 116.9 | | |
| 91 | N | 50.7 | Low | 47.4 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | | 172.8 | 131.2 | 107.7 | -87.9 | -44.7 | 0 | 0 | 0 | 112.7 | | |
| 92 | E | 50.9 | Low | 46.9 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | 39.1 | 108.6 | 138 | -57.2 | -173.4 | 168 | 0 | 0 | 120.3 | | |
| 93 | E | 52.3 | Low | 47 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | 14.9 | 153.4 | 147.1 | -78.1 | -163 | 171.7 | 0 | 0 | 124.1 | | |
| 94 | P | 42.8 | Very low | 47.2 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 145.4 | -137.2 | 37.8 | -31.5 | 0 | 0 | 0 | 113.9 | | |
| 95 | I | 51.6 | Low | 46.8 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 120.5 | 168.5 | -60.3 | 171.7 | 0 | 0 | 0 | 108 | D97 | I95-D97 PolarHBondContact O-N 3.09Š|
| 96 | V | 46.3 | Very low | 47 | Very low | 133 Ų | 133 | 141 Ų | 141 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123.7 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 97 | D | 47.2 | Very low | 46.5 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -126.8 | 108.7 | 168.4 | -161.6 | 16.7 | 0 | 0 | 0 | 109.3 | I95 S99 | I95-D97 PolarHBondContact O-N 3.09Å; D97-S99 PolarHBondContact O-N 3.43Å |
| 98 | D | 40.7 | Very low | 46.4 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -60.8 | 112.5 | 164.3 | -90.8 | -38.1 | 0 | 0 | 0 | 108 | | |
| 99 | S | 51.3 | Low | 46.1 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | trans | -141.3 | 113.4 | 162.8 | 26.5 | 0 | 0 | 0 | 0 | 110.8 | D97 D101 | D97-S99 PolarHBondContact O-N 3.43Å; S99-D101 PolarHBondContact O-N 3.35Å |
| 100 | D | 43.5 | Very low | 46.2 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -36.3 | 123.2 | 159.9 | -74 | -54.4 | 0 | 0 | 0 | 111.8 | | |
| 101 | D | 46.5 | Very low | 46.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -150.3 | 100.9 | 150.2 | -96.5 | -31.3 | 0 | 0 | 0 | 110.9 | S99 | S99-D101 PolarHBondContact O-N 3.35Š|
| 102 | Q | 39.5 | Very low | 46.2 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | 29.4 | 103.5 | 128.1 | -61.5 | -176.5 | 8.5 | 0 | 0 | 116.6 | | |
| 103 | S | 44.4 | Very low | 46.9 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | | 167.6 | 131.4 | 118.3 | -80 | 0 | 0 | 0 | 0 | 109.7 | C105 | S103-C105 PolarHBondContact O-N 3.03Š|
| 104 | P | 46 | Very low | 46.9 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | | | trans | -76 | 63.9 | 163.6 | 35.1 | -31.3 | 0 | 0 | 0 | 107.9 | | |
| 105 | C | 40 | Very low | 47.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 68% | 0.676 | 77% | 0.771 | S | S | * | * | | | trans | -71.1 | 147.4 | 163.8 | -86.4 | 0 | 0 | 0 | 0 | 108.5 | S103 | S103-C105 PolarHBondContact O-N 3.03Š|
| 106 | S | 46 | Very low | 47.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | 83.7 | 34.5 | 135.3 | -172.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 107 | Y | 41 | Very low | 47.6 | Very low | 235 Ų | 235 | 135.6 Ų | 135.6 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | | | trans | -103.1 | 88.9 | 145.1 | -100.9 | -90 | 0 | 0 | 0 | 109.2 | G109 | Y107-G109 PolarHBondContact O-N 2.99Š|
| 108 | G | 42.5 | Very low | 47.4 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | -65 | 84.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 109 | G | 45.1 | Very low | 47.4 | Very low | 61 Ų | 61 | 133 Ų | 133 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | -92.3 | 113.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y107 V111 | Y107-G109 PolarHBondContact O-N 2.99Å; G109-V111 PolarHBondContact O-N 3.41Å |
| 110 | T | 54.6 | Low | 46.7 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | -64.6 | 117.6 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 111 | V | 49.5 | Very low | 46.7 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -96.1 | 114.9 | 168.3 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | G109 T113 | G109-V111 PolarHBondContact O-N 3.41Å; V111-T113 HydrophobicContact CG1-CG2 4.05Å |
| 112 | F | 49.2 | Very low | 46.5 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -91.8 | 115.9 | 169.9 | -66.8 | -82.3 | 0 | 0 | 0 | 108.9 | | |
| 113 | T | 64.2 | Low | 46.7 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -113.8 | 138 | 167.4 | 54.5 | 0 | 0 | 0 | 0 | 107.9 | V111 | V111-T113 HydrophobicContact CG1-CG2 4.05Š|
| 114 | Y | 53.8 | Low | 46.8 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -118.7 | 139 | 170.5 | 61.9 | -90.3 | 0 | 0 | 0 | 109.1 | I116 | Y114-I116 HydrophobicContact CD2-CD1 4.32Å; Y114-I116 HydrophobicContact CD2-CG1 4.02Å; Y114-I116 HydrophobicContact CE2-CD1 4.09Å; Y114-I116 HydrophobicContact CE2-CG1 4.28Å |
| 115 | T | 59.4 | Low | 46.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | trans | -115.5 | 123 | 176.1 | -48.3 | 0 | 0 | 0 | 0 | 107 | | |
| 116 | I | 48.2 | Very low | 46.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -94.2 | 118.7 | 177.3 | -56.7 | 177.1 | 0 | 0 | 0 | 107.7 | Y114 | Y114-I116 HydrophobicContact CD2-CD1 4.32Å; Y114-I116 HydrophobicContact CD2-CG1 4.02Å; Y114-I116 HydrophobicContact CE2-CD1 4.09Å; Y114-I116 HydrophobicContact CE2-CG1 4.28Å |
| 117 | H | 47.2 | Very low | 46.5 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -108.2 | 121.2 | 168.3 | -65.4 | -69 | 0 | 0 | 0 | 107.9 | | |
| 118 | G | 42.7 | Very low | 46.4 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | -112.8 | 114.9 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 119 | D | 40.6 | Very low | 46.3 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -65 | 138.9 | -176.5 | -83.2 | -33 | 0 | 0 | 0 | 112.7 | | |
| 120 | I | 36.7 | Very low | 45.9 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | -82.5 | 120.8 | 169.8 | -67.6 | 159.6 | 0 | 0 | 0 | 106.9 | | |
| 121 | D | 44.4 | Very low | 45.5 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | | | trans | 162.7 | 139.8 | 137.8 | -87.5 | -25.6 | 0 | 0 | 0 | 112.8 | | |
| 122 | G | 41.5 | Very low | 45.1 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 120 | 72.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 123 | N | 43.7 | Very low | 45.1 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | | 49.8 | 98.8 | 82.8 | -164.3 | 62.9 | 0 | 0 | 0 | 112.1 | | |
| 124 | D | 47.3 | Very low | 43.9 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | | -176.8 | 121.7 | 121 | -89.7 | -28.7 | 0 | 0 | 0 | 113.5 | | |
| 125 | H | 44.8 | Very low | 43.5 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 59.8 | 103 | 144.1 | -81.3 | -66.8 | 0 | 0 | 0 | 122.1 | | |
| 126 | M | 39.1 | Very low | 42.8 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -59.9 | 134.6 | 143.3 | -67.2 | -176.6 | -175.9 | 0 | 0 | 110.6 | | |
| 127 | E | 40.9 | Very low | 42.6 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -140.3 | 119.9 | 145.5 | -108.5 | 176.9 | -170.8 | 0 | 0 | 109.9 | | |
| 128 | S | 39.3 | Very low | 42.4 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -70.7 | 139.9 | 174.7 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 129 | N | 39.6 | Very low | 42.4 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -129.9 | 111.2 | 154.3 | -135.1 | 21.9 | 0 | 0 | 0 | 110.2 | | |
| 130 | S | 37.3 | Very low | 42.4 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | | | trans | -72 | 136.4 | 170.3 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 131 | H | 46 | Very low | 42.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -168.8 | 110.5 | 137.6 | -91.1 | -35.8 | 0 | 0 | 0 | 105.4 | | |
| 132 | D | 41.2 | Very low | 42.3 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | | 58.3 | 96.2 | 96.3 | -65.7 | -37.5 | 0 | 0 | 0 | 109.7 | | |
| 133 | E | 48.1 | Very low | 42.3 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | | 163.5 | 108.9 | 120.1 | -83.8 | -173.2 | -164.9 | 0 | 0 | 108.9 | | |
| 134 | D | 41.1 | Very low | 42.3 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | 42.9 | 83.8 | 124.2 | -53.9 | -18.6 | 0 | 0 | 0 | 116.7 | | |
| 135 | D | 44.1 | Very low | 42.3 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | | 169 | 114.9 | 114.7 | -99.4 | -30.8 | 0 | 0 | 0 | 110.5 | | |
| 136 | Y | 45 | Very low | 42.5 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | 22.9 | 98.5 | 143.7 | -98.7 | -98.9 | 0 | 0 | 0 | 118.6 | | |
| 137 | M | 44.5 | Very low | 43 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | | | trans | 48.5 | 102.6 | 154 | -75.4 | -151.1 | 97.5 | 0 | 0 | 118.2 | A139 | M137-A139 PolarHBondContact O-N 3.19Š|
| 138 | P | 43 | Very low | 42.9 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | trans | -75.1 | 107.5 | 151 | 31.4 | -24.7 | 0 | 0 | 0 | 107 | D140 | P138-D140 HydrophobicContact CB-CB 4.3Å; P138-D140 PolarHBondContact O-N 2.77Å |
| 139 | A | 41.5 | Very low | 43 | Very low | 102 Ų | 102 | 147 Ų | 147 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | -72.9 | 59 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | M137 | M137-A139 PolarHBondContact O-N 3.19Š|
| 140 | D | 40.2 | Very low | 43.5 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | trans | -80.5 | 118.7 | 159.4 | -84.1 | -31.2 | 0 | 0 | 0 | 105.8 | P138 | P138-D140 HydrophobicContact CB-CB 4.3Å; P138-D140 PolarHBondContact O-N 2.77Å |
| 141 | D | 40.3 | Very low | 43.9 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 150.5 | 130 | 130.5 | -75.6 | -28.5 | 0 | 0 | 0 | 109.8 | | |
| 142 | Y | 40.3 | Very low | 43.6 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | 89.2 | 49.8 | 171 | -48.4 | -76.2 | 0 | 0 | 0 | 119.2 | F144 | Y142-F144 PolarHBondContact O-N 2.91Š|
| 143 | D | 41.6 | Very low | 43.3 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -79.6 | 64.9 | 146 | -86.4 | -19.4 | 0 | 0 | 0 | 109.7 | H145 | D143-H145 VanDerWaalsContact C-N 3.35Å; D143-H145 PolarHBondContact O-N 3.22Å; D143-H145 VanDerWaalsContact O-N 3.13Å |
| 144 | F | 42.8 | Very low | 43 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | | | trans | -74.9 | 94.4 | 162.4 | -151.9 | -88.3 | 0 | 0 | 0 | 106.3 | Y142 P146 | Y142-F144 PolarHBondContact O-N 2.91Å; F144-P146 WeakPolarHBondContact O-CD 3.4Å |
| 145 | H | 48.5 | Very low | 42.8 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 63% | 0.634 | 78% | 0.775 | S | S | * | * | | | trans | -75 | 107.2 | 166.8 | -68.8 | -37.9 | 0 | 0 | 0 | 107.9 | D143 I147 | D143-H145 VanDerWaalsContact C-N 3.35Å; D143-H145 PolarHBondContact O-N 3.22Å; D143-H145 VanDerWaalsContact O-N 3.13Å; H145-I147 PolarHBondContact O-N 2.99Å |
| 146 | P | 48.6 | Very low | 42.7 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | -58.7 | 133.4 | 166.8 | 25.8 | -32.4 | 0 | 0 | 0 | 107.9 | F144 Y148 | F144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-Y148 PolarHBondContact O-N 3.36Å |
| 147 | I | 48.4 | Very low | 42.4 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -45.2 | 114.3 | 172.9 | -65.4 | 166.1 | 0 | 0 | 0 | 107.4 | H145 S149 | H145-I147 PolarHBondContact O-N 2.99Å; I147-S149 PolarHBondContact O-N 3.4Å |
| 148 | Y | 39.9 | Very low | 42.5 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -49.7 | 110.1 | 176.5 | -83.2 | -89.5 | 0 | 0 | 0 | 109.3 | P146 W150 | P146-Y148 PolarHBondContact O-N 3.36Å; Y148-W150 PolarHBondContact O-N 3.16Å |
| 149 | S | 40.4 | Very low | 42.5 | Very low | 96 Ų | 96 | 156 Ų | 156 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | trans | -63.5 | 130.3 | 166.6 | 71.6 | 0 | 0 | 0 | 0 | 107.7 | I147 L151 | I147-S149 PolarHBondContact O-N 3.4Å; S149-L151 PolarHBondContact O-N 3.49Å |
| 150 | W | 50.8 | Low | 42.9 | Very low | 258 Ų | 258 | 161.9 Ų | 161.9 | 98% | 0.977 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -68 | 23.4 | -176.8 | -80.1 | 9.2 | 0 | 0 | 0 | 114.5 | Y148 | Y148-W150 PolarHBondContact O-N 3.16Š|
| 151 | L | 45.4 | Very low | 43.7 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -127.4 | 23.6 | -161.7 | -94.9 | 150.2 | 0 | 0 | 0 | 115.1 | S149 | S149-L151 PolarHBondContact O-N 3.49Š|
| 152 | G | 40.4 | Very low | 44.4 | Very low | 66 Ų | 66 | 167.1 Ų | 167.1 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | -147.3 | 40 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D154 | G152-D154 VanDerWaalsContact C-N 3.34Å; G152-D154 PolarHBondContact O-N 3.29Å; G152-D154 VanDerWaalsContact O-N 3.16Å |
| 153 | R | 34.3 | Very low | 45.7 | Very low | 240 Ų | 240 | 166.7 Ų | 166.7 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | -88.4 | 71.3 | -177.4 | -159.9 | -175.1 | -165.7 | 177.8 | 3.8 | 110.6 | | |
| 154 | D | 41.4 | Very low | 47 | Very low | 147 Ų | 147 | 165.4 Ų | 165.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -154.2 | 143.3 | 156 | -83.9 | -38.4 | 0 | 0 | 0 | 108.9 | G152 | G152-D154 VanDerWaalsContact C-N 3.34Å; G152-D154 PolarHBondContact O-N 3.29Å; G152-D154 VanDerWaalsContact O-N 3.16Å |
| 155 | D | 38.3 | Very low | 48.1 | Very low | 144 Ų | 144 | 168.2 Ų | 168.2 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 75.4 | 70.9 | 167.3 | -55.2 | -22.9 | 0 | 0 | 0 | 118.7 | | |
| 156 | S | 42.1 | Very low | 48.9 | Very low | 110 Ų | 110 | 170.4 Ų | 170.4 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | | -172.4 | 99.5 | 123 | 36 | 0 | 0 | 0 | 0 | 111.6 | H158 | S156-H158 PolarHBondContact O-N 3.17Š|
| 157 | F | 38.5 | Very low | 50 | Low | 205 Ų | 205 | 174.4 Ų | 174.4 | 90% | 0.899 | 83% | 0.827 | S | S | * | * | | | trans | -65.4 | 69.4 | 165.2 | -80.1 | -97.9 | 0 | 0 | 0 | 111.4 | | |
| 158 | H | 44.9 | Very low | 50.9 | Low | 164 Ų | 164 | 170.7 Ų | 170.7 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | -125.6 | 91.9 | 158.5 | -70.5 | -39.7 | 0 | 0 | 0 | 108.1 | S156 R160 | S156-H158 PolarHBondContact O-N 3.17Å; H158-R160 PolarHBondContact O-N 2.98Å |
| 159 | Q | 43.1 | Very low | 52.2 | Low | 198 Ų | 198 | 165.9 Ų | 165.9 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | -49.8 | 87.7 | 160.6 | -79.2 | 173.3 | -12.5 | 0 | 0 | 108.7 | | |
| 160 | R | 51.1 | Low | 53.1 | Low | 224 Ų | 224 | 171 Ų | 171 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -65.1 | 127.5 | 165.1 | -71.4 | -175 | 177.4 | -170.5 | -0.4 | 106.3 | H158 R162 | H158-R160 PolarHBondContact O-N 2.98Å; R160-R162 PolarHBondContact O-N 3.41Å; R160-R162 VanDerWaalsContact O-N 3.1Å |
| 161 | P | 56 | Low | 53.6 | Low | 120 Ų | 120 | 165.6 Ų | 165.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -56.3 | 122.9 | 177.4 | 20.8 | -29.8 | 0 | 0 | 0 | 108.3 | K163 | P161-K163 PolarHBondContact O-N 3.43Š|
| 162 | R | 56.1 | Low | 54.2 | Low | 248 Ų | 248 | 161.4 Ų | 161.4 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -57.6 | 110 | 177.7 | -76.4 | -179.9 | 156.4 | 138.9 | -4.2 | 108 | R160 | R160-R162 PolarHBondContact O-N 3.41Å; R160-R162 VanDerWaalsContact O-N 3.1Å |
| 163 | K | 66.7 | Low | 55 | Low | 194 Ų | 194 | 165.4 Ų | 165.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 138.5 | 167.1 | -78.8 | -175.7 | 177.6 | -179.8 | 0 | 108.1 | P161 Y165 | P161-K163 PolarHBondContact O-N 3.43Å; K163-Y165 PolarHBondContact O-N 3.33Å |
| 164 | P | 70.3 | Confident | 55.8 | Low | 120 Ų | 120 | 164.4 Ų | 164.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.9 | 173.6 | 23.6 | -30.7 | 0 | 0 | 0 | 110 | H166 | P164-H166 PolarHBondContact O-N 3.1Š|
| 165 | Y | 64.5 | Low | 56.3 | Low | 234 Ų | 234 | 162.2 Ų | 162.2 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.6 | 174.3 | -76.7 | -84.7 | 0 | 0 | 0 | 109.8 | K163 K167 | K163-Y165 PolarHBondContact O-N 3.33Å; Y165-K167 PolarHBondContact O-N 2.74Å |
| 166 | H | 65.2 | Low | 57 | Low | 183 Ų | 183 | 165.8 Ų | 165.8 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.6 | 171.5 | -131.2 | -62.7 | 0 | 0 | 0 | 108.9 | P164 | P164-H166 PolarHBondContact O-N 3.1Š|
| 167 | K | 73.2 | Confident | 57.3 | Low | 182 Ų | 182 | 169.2 Ų | 169.2 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.4 | 174.6 | -71.8 | -179 | 178.5 | 178.7 | 0 | 109.1 | Y165 T169 | Y165-K167 PolarHBondContact O-N 2.74Å; K167-T169 PolarHBondContact O-N 2.82Å |
| 168 | P | 65.5 | Low | 57.8 | Low | 89 Ų | 89 | 167.1 Ų | 167.1 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.2 | 174.6 | 24.8 | -32.3 | 0 | 0 | 0 | 109.8 | | |
| 169 | T | 68.2 | Low | 57.9 | Low | 96 Ų | 96 | 165.4 Ų | 165.4 | 59% | 0.589 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.8 | 172 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | K167 N171 T172 | K167-T169 PolarHBondContact O-N 2.82Å; T169-N171 PolarHBondContact O-N 2.99Å; T169-T172 PolarHBondContact O-N 3.45Å; T169-T172 PolarHBondContact O-OG1 2.79Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å |
| 170 | R | 59.1 | Low | 57.8 | Low | 204 Ų | 204 | 163.6 Ų | 163.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -9.1 | -168.6 | -160 | 173.5 | 169.2 | 171.5 | -4.2 | 114.9 | W173 | R170-W173 HydrophobicContact CG-CH2 3.98Å; R170-W173 HydrophobicContact CG-CZ3 3.89Å |
| 171 | N | 61.9 | Low | 57.7 | Low | 145 Ų | 145 | 158 Ų | 158 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -5.4 | -175.2 | -67.1 | 1.1 | 0 | 0 | 0 | 114.3 | T169 | T169-N171 PolarHBondContact O-N 2.99Š|
| 172 | T | 57.4 | Low | 56.8 | Low | 77 Ų | 77 | 165.5 Ų | 165.5 | 47% | 0.472 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -92.6 | 2.4 | -177.8 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | T169 | T169-T172 PolarHBondContact O-N 3.45Å; T169-T172 PolarHBondContact O-OG1 2.79Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å |
| 173 | W | 56.5 | Low | 56.9 | Low | 150 Ų | 150 | 161.4 Ų | 161.4 | 57% | 0.568 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -21.4 | -178.7 | -57.7 | -26.7 | 0 | 0 | 0 | 114.2 | R170 | R170-W173 HydrophobicContact CG-CH2 3.98Å; R170-W173 HydrophobicContact CG-CZ3 3.89Å |
| 174 | Y | 52.8 | Low | 56.4 | Low | 219 Ų | 219 | 159.7 Ų | 159.7 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 3.4 | -174.3 | -70.7 | -76.2 | 0 | 0 | 0 | 114.7 | | |
| 175 | S | 51.2 | Low | 55.6 | Low | 101 Ų | 101 | 161.9 Ų | 161.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -110.5 | 9.9 | -163.9 | -175.9 | 0 | 0 | 0 | 0 | 116 | | |
| 176 | R | 51.9 | Low | 55.1 | Low | 218 Ų | 218 | 157.6 Ų | 157.6 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -135.1 | 17.4 | -172.2 | -66.6 | -161.1 | -167.1 | -167.6 | 4.5 | 117.3 | | |
| 177 | Y | 48.7 | Very low | 54.4 | Low | 182 Ų | 182 | 156.1 Ų | 156.1 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | trans | -116.4 | 9.7 | -175.8 | -73.9 | -70.1 | 0 | 0 | 0 | 116.9 | T179 F180 | Y177-T179 PolarHBondContact O-N 3.17Å; Y177-F180 HydrophobicContact CD1-CD2 4.42Å; Y177-F180 HydrophobicContact CD1-CE2 4.14Å; Y177-F180 HydrophobicContact CE1-CE2 4.17Å |
| 178 | D | 50.3 | Low | 53.2 | Low | 161 Ų | 161 | 154.3 Ų | 154.3 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -91.4 | 10.4 | -178.9 | -70.4 | -18.6 | 0 | 0 | 0 | 114.8 | | |
| 179 | T | 46.1 | Very low | 52.3 | Low | 128 Ų | 128 | 159 Ų | 159 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -150.9 | 70.1 | 178 | -31.6 | 0 | 0 | 0 | 0 | 111.9 | Y177 | Y177-T179 PolarHBondContact O-N 3.17Š|
| 180 | F | 40.5 | Very low | 51.1 | Low | 160 Ų | 160 | 163.8 Ų | 163.8 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | -95.1 | 110.4 | 153.7 | -95.7 | -87 | 0 | 0 | 0 | 107.5 | Y177 | Y177-F180 HydrophobicContact CD1-CD2 4.42Å; Y177-F180 HydrophobicContact CD1-CE2 4.14Å; Y177-F180 HydrophobicContact CE1-CE2 4.17Å |
| 181 | P | 49.4 | Very low | 50.4 | Low | 107 Ų | 107 | 160.5 Ų | 160.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | -75.8 | 132.3 | 166.3 | 31.9 | -28 | 0 | 0 | 0 | 107.8 | | |
| 182 | F | 37.9 | Very low | 49.3 | Very low | 278 Ų | 278 | 161.9 Ų | 161.9 | 100% | 1.219 | 76% | 0.764 | S | S | * | * | | | trans | -54.4 | 0 | 160.9 | -52.3 | -86.6 | 0 | 0 | 0 | 110.7 | | |