| 1 | M | 57.6 | Low | 76.7 | Confident | 219 Ų | 219 | 114.1 Ų | 114.1 | 100% | 1.079 | 59% | 0.587 | S | S | * | * | | | | 0 | 116.8 | 0 | -78.3 | -73.4 | -171.5 | 0 | 0 | 107.5 | | |
| 2 | C | 73 | Confident | 76.4 | Confident | 89 Ų | 89 | 109.5 Ų | 109.5 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | | | trans | -83.6 | 145.4 | -178 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | Y4 T5 | C2-Y4 PolarHBondContact O-N 2.85Å; C2-Y4 VanDerWaalsContact O-N 3.08Å; C2-T5 PolarHBondContact N-OG1 2.84Å; C2-T5 PolarHBondContact O-N 3.3Å; C2-T5 PolarHBondContact O-OG1 3.31Å |
| 3 | L | 76.7 | Confident | 75.7 | Confident | 146 Ų | 146 | 107 Ų | 107 | 76% | 0.764 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -51.3 | -35.9 | 176.4 | -79 | 158.3 | 0 | 0 | 0 | 112.8 | T5 I6 V7 | L3-T5 VanDerWaalsContact C-N 3.28Å; L3-T5 PolarHBondContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 3.08Å; L3-I6 VanDerWaalsContact O-N 3.15Å; L3-V7 PolarHBondContact O-N 3.36Å |
| 4 | Y | 78.6 | Confident | 74.7 | Confident | 154 Ų | 154 | 105.1 Ų | 105.1 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56.8 | -37.5 | 175.7 | -176.7 | -102.9 | 0 | 0 | 0 | 113.8 | C2 K8 | C2-Y4 PolarHBondContact O-N 2.85Å; C2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-K8 HydrophobicContact CE1-CD 3.9Å; Y4-K8 PolarHBondContact O-N 2.97Å; Y4-K8 WeakPolarHBondContact OH-CE 3.33Å; Y4-K8 PolarHBondContact OH-NZ 3.08Å |
| 5 | T | 81 | Confident | 73.7 | Confident | 66 Ų | 66 | 107.2 Ų | 107.2 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.7 | -31.9 | 179.1 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | C2 L3 V9 | C2-T5 PolarHBondContact N-OG1 2.84Å; C2-T5 PolarHBondContact O-N 3.3Å; C2-T5 PolarHBondContact O-OG1 3.31Å; L3-T5 VanDerWaalsContact C-N 3.28Å; L3-T5 PolarHBondContact O-N 3.16Å; T5-V9 VanDerWaalsContact O-CG2 3.29Å; T5-V9 WeakPolarHBondContact O-CG2 3.43Å; T5-V9 PolarHBondContact O-N 2.95Å |
| 6 | I | 80.5 | Confident | 72.5 | Confident | 83 Ų | 83 | 107.8 Ų | 107.8 | 43% | 0.426 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.9 | -44.8 | 178.8 | -61.2 | 171.7 | 0 | 0 | 0 | 110.4 | L3 K8 V9 I10 | L3-I6 PolarHBondContact O-N 3.08Å; L3-I6 VanDerWaalsContact O-N 3.15Å; I6-K8 PolarHBondContact O-N 3.27Å; I6-V9 PolarHBondContact O-N 2.85Å; I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 3.1Å; I6-I10 VanDerWaalsContact O-N 3.1Å |
| 7 | V | 82 | Confident | 71.5 | Confident | 75 Ų | 75 | 108.2 Ų | 108.2 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60 | -45.2 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.2 | L3 V9 I10 E11 | L3-V7 PolarHBondContact O-N 3.36Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.91Å; V7-I10 PolarHBondContact O-N 2.87Å; V7-E11 HydrophobicContact CG1-CG 4.33Å; V7-E11 WeakPolarHBondContact O-CG 3.17Å; V7-E11 PolarHBondContact O-N 2.84Å |
| 8 | K | 81.3 | Confident | 70.5 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.4 | -36.1 | 178 | -86.4 | -164.2 | 161.3 | 178.3 | 0 | 114.3 | Y4 I6 A12 | Y4-K8 HydrophobicContact CE1-CD 3.9Å; Y4-K8 PolarHBondContact O-N 2.97Å; Y4-K8 WeakPolarHBondContact OH-CE 3.33Å; Y4-K8 PolarHBondContact OH-NZ 3.08Å; I6-K8 PolarHBondContact O-N 3.27Å; K8-A12 WeakPolarHBondContact O-CB 3.3Å; K8-A12 PolarHBondContact O-N 2.9Å; K8-A12 VanDerWaalsContact O-N 3.1Å |
| 9 | V | 80.7 | Confident | 69.6 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.1 | -38.6 | 178 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | T5 I6 V7 D13 | T5-V9 VanDerWaalsContact O-CG2 3.29Å; T5-V9 WeakPolarHBondContact O-CG2 3.43Å; T5-V9 PolarHBondContact O-N 2.95Å; I6-V9 PolarHBondContact O-N 2.85Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.91Å; V9-D13 WeakPolarHBondContact O-CB 3.49Å; V9-D13 PolarHBondContact O-N 2.93Å |
| 10 | I | 77.3 | Confident | 68.6 | Low | 100 Ų | 100 | 107.3 Ų | 107.3 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -46 | 176.2 | -64.3 | 167.8 | 0 | 0 | 0 | 110.6 | I6 V7 A12 D13 T14 | I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 3.1Å; I6-I10 VanDerWaalsContact O-N 3.1Å; V7-I10 PolarHBondContact O-N 2.87Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 2.73Å; I10-D13 PolarHBondContact O-N 2.8Å; I10-T14 HydrophobicContact CG2-CG2 4.25Å; I10-T14 WeakPolarHBondContact O-CG2 3.47Å; I10-T14 PolarHBondContact O-N 2.69Å; I10-T14 PolarHBondContact O-OG1 3.47Å |
| 11 | E | 75.3 | Confident | 67.8 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 50% | 0.495 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.4 | -47.5 | 177.5 | -75.9 | 176 | 170.5 | 0 | 0 | 111.2 | V7 D13 T14 E15 | V7-E11 HydrophobicContact CG1-CG 4.33Å; V7-E11 WeakPolarHBondContact O-CG 3.17Å; V7-E11 PolarHBondContact O-N 2.84Å; E11-D13 PolarHBondContact O-N 3.3Å; E11-T14 WeakPolarHBondContact CA-OG1 3.33Å; E11-T14 PolarHBondContact O-N 2.89Å; E11-T14 PolarHBondContact O-OG1 2.83Å; E11-E15 PolarHBondContact O-N 2.73Å; E11-E15 VanDerWaalsContact O-N 3.07Å |
| 12 | A | 72.4 | Confident | 67.1 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K8 I10 D16 | K8-A12 WeakPolarHBondContact O-CB 3.3Å; K8-A12 PolarHBondContact O-N 2.9Å; K8-A12 VanDerWaalsContact O-N 3.1Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 2.73Å; A12-D16 PolarHBondContact O-N 3.36Å |
| 13 | D | 67.4 | Low | 65.9 | Low | 77 Ų | 77 | 105 Ų | 105 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -28.9 | 177.6 | -171.8 | 57.4 | 0 | 0 | 0 | 112.4 | V9 I10 E11 K17 | V9-D13 WeakPolarHBondContact O-CB 3.49Å; V9-D13 PolarHBondContact O-N 2.93Å; I10-D13 PolarHBondContact O-N 2.8Å; E11-D13 PolarHBondContact O-N 3.3Å; D13-K17 WeakPolarHBondContact O-CG 3.43Å; D13-K17 PolarHBondContact O-N 3.15Å; D13-K17 IonicContact OD1-NZ 3.36Å; D13-K17 PolarHBondContact OD1-NZ 3.5Å; D13-K17 IonicContact OD2-NZ 2.73Å; D13-K17 PolarHBondContact OD2-NZ 3.35Å |
| 14 | T | 62.4 | Low | 64.5 | Low | 80 Ų | 80 | 106.1 Ų | 106.1 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.3 | -33.7 | 175.2 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | I10 E11 A18 | I10-T14 HydrophobicContact CG2-CG2 4.25Å; I10-T14 WeakPolarHBondContact O-CG2 3.47Å; I10-T14 PolarHBondContact O-N 2.69Å; I10-T14 PolarHBondContact O-OG1 3.47Å; E11-T14 WeakPolarHBondContact CA-OG1 3.33Å; E11-T14 PolarHBondContact O-N 2.89Å; E11-T14 PolarHBondContact O-OG1 2.83Å; T14-A18 PolarHBondContact O-N 2.98Å |
| 15 | E | 59.3 | Low | 63.1 | Low | 137 Ų | 137 | 103.4 Ų | 103.4 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -37.6 | 174.8 | -72.8 | -177.7 | 179.1 | 0 | 0 | 111.6 | E11 K17 A18 | E11-E15 PolarHBondContact O-N 2.73Å; E11-E15 VanDerWaalsContact O-N 3.07Å; E15-K17 PolarHBondContact O-N 3.18Å; E15-A18 PolarHBondContact O-N 2.7Å |
| 16 | D | 55.1 | Low | 61.6 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72 | -30.5 | -179.7 | -145.4 | 27.1 | 0 | 0 | 0 | 112.3 | A12 T20 | A12-D16 PolarHBondContact O-N 3.36Å; D16-T20 PolarHBondContact O-OG1 3.23Å |
| 17 | K | 55.2 | Low | 60.3 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 50% | 0.504 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.2 | -21.4 | 177.9 | -73.3 | 174.2 | -179.6 | 158.4 | 0 | 114.2 | D13 E15 N19 T20 T21 | D13-K17 WeakPolarHBondContact O-CG 3.43Å; D13-K17 PolarHBondContact O-N 3.15Å; D13-K17 IonicContact OD1-NZ 3.36Å; D13-K17 PolarHBondContact OD1-NZ 3.5Å; D13-K17 IonicContact OD2-NZ 2.73Å; D13-K17 PolarHBondContact OD2-NZ 3.35Å; E15-K17 PolarHBondContact O-N 3.18Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-T20 PolarHBondContact O-N 3.49Å; K17-T21 PolarHBondContact O-OG1 3.32Å |
| 18 | A | 53.5 | Low | 58.9 | Low | 70 Ų | 70 | 115 Ų | 115 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.3 | -31.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T14 E15 | T14-A18 PolarHBondContact O-N 2.98Å; E15-A18 PolarHBondContact O-N 2.7Å |
| 19 | N | 53.4 | Low | 57.9 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -12 | 178.9 | -71.6 | -29.8 | 0 | 0 | 0 | 114.2 | K17 | K17-N19 VanDerWaalsContact C-N 3.32Š|
| 20 | T | 49.2 | Very low | 57.1 | Low | 91 Ų | 91 | 117.1 Ų | 117.1 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -16.7 | -172.6 | -51.2 | 0 | 0 | 0 | 0 | 113 | D16 K17 | D16-T20 PolarHBondContact O-OG1 3.23Å; K17-T20 PolarHBondContact O-N 3.49Å |
| 21 | T | 51.4 | Low | 56.4 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -4.1 | -172.5 | -41 | 0 | 0 | 0 | 0 | 114.2 | K17 | K17-T21 PolarHBondContact O-OG1 3.32Š|
| 22 | Q | 44.6 | Very low | 55.8 | Low | 192 Ų | 192 | 122 Ų | 122 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -2.9 | 176.6 | -99.3 | -176 | -12.1 | 0 | 0 | 114.7 | | |
| 23 | G | 46.1 | Very low | 55.3 | Low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -99.6 | -28.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 24 | E | 47.8 | Very low | 54.5 | Low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -109.3 | -4.9 | -164.6 | -72.9 | -165.5 | 128.7 | 0 | 0 | 115.8 | S26 | E24-S26 VanDerWaalsContact C-N 3.29Å; E24-S26 PolarHBondContact O-N 3.34Å |
| 25 | A | 49.4 | Very low | 53.9 | Low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 3.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 26 | S | 49.1 | Very low | 53.6 | Low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -0.4 | -170.6 | -154.7 | 0 | 0 | 0 | 0 | 115.1 | E24 | E24-S26 VanDerWaalsContact C-N 3.29Å; E24-S26 PolarHBondContact O-N 3.34Å |
| 27 | E | 53.1 | Low | 53.3 | Low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -96.7 | -2.9 | -165.5 | -145.4 | -170.5 | 146.2 | 0 | 0 | 116.6 | | |
| 28 | K | 53.5 | Low | 53.5 | Low | 192 Ų | 192 | 144.1 Ų | 144.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | -138.3 | 37.8 | -174.6 | -68.2 | -174.3 | -176.6 | 174.6 | 0 | 116.3 | P30 | K28-P30 WeakPolarHBondContact O-CD 3.39Š|
| 29 | I | 60.4 | Low | 53.4 | Low | 147 Ų | 147 | 146.5 Ų | 146.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -85.8 | 107 | 162.5 | -55.3 | 175.6 | 0 | 0 | 0 | 107.7 | K31 | I29-K31 PolarHBondContact O-N 3.44Å; I29-K31 VanDerWaalsContact O-N 3.08Å |
| 30 | P | 62.6 | Low | 53.4 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | trans | -60.2 | 118.5 | 175.1 | 24.4 | -31.8 | 0 | 0 | 0 | 108.9 | K28 P32 | K28-P30 WeakPolarHBondContact O-CD 3.39Å; P30-P32 WeakPolarHBondContact O-CD 3.31Å; P30-P32 VanDerWaalsContact O-N 3.13Å |
| 31 | K | 63.9 | Low | 53.7 | Low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -49.3 | 118.4 | 171.8 | -109.6 | 168.6 | -179.4 | 164.2 | 0 | 108.3 | I29 T33 | I29-K31 PolarHBondContact O-N 3.44Å; I29-K31 VanDerWaalsContact O-N 3.08Å; K31-T33 PolarHBondContact O-N 2.99Å |
| 32 | P | 61.4 | Low | 54 | Low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -63.8 | 110.8 | 170.7 | 23.3 | -29.1 | 0 | 0 | 0 | 107.5 | P30 R34 | P30-P32 WeakPolarHBondContact O-CD 3.31Å; P30-P32 VanDerWaalsContact O-N 3.13Å; P32-R34 VanDerWaalsContact C-N 3.31Å; P32-R34 PolarHBondContact O-N 3.42Å |
| 33 | T | 62 | Low | 54.6 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -65.2 | 94.2 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 108.3 | K31 K35 | K31-T33 PolarHBondContact O-N 2.99Å; T33-K35 VanDerWaalsContact C-N 3.26Å; T33-K35 PolarHBondContact O-N 2.9Å |
| 34 | R | 50.3 | Low | 55 | Low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -69.4 | 81.7 | 177.4 | -167.5 | 177.5 | 177.2 | -177.1 | 0.2 | 109.4 | P32 | P32-R34 VanDerWaalsContact C-N 3.31Å; P32-R34 PolarHBondContact O-N 3.42Å |
| 35 | K | 50.7 | Low | 55.3 | Low | 181 Ų | 181 | 154.6 Ų | 154.6 | 79% | 0.787 | 82% | 0.823 | S | S | * | * | | | trans | -116.6 | 79.9 | 168.4 | -70.5 | -165.4 | -179.6 | -174.6 | 0 | 109.9 | T33 | T33-K35 VanDerWaalsContact C-N 3.26Å; T33-K35 PolarHBondContact O-N 2.9Å |
| 36 | H | 53.8 | Low | 55.7 | Low | 184 Ų | 184 | 156.4 Ų | 156.4 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | | | trans | -123.3 | 104.8 | 153.8 | -66.4 | -62.3 | 0 | 0 | 0 | 108 | | |
| 37 | S | 47.4 | Very low | 55.9 | Low | 123 Ų | 123 | 161.2 Ų | 161.2 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | -60.3 | 136.4 | 171.3 | -169.1 | 0 | 0 | 0 | 0 | 110 | | |
| 38 | K | 60.2 | Low | 56.1 | Low | 189 Ų | 189 | 161.7 Ų | 161.7 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | | | trans | -76.3 | 179.8 | 179.1 | -68 | 178.7 | 178.1 | 176.4 | 0 | 111.1 | | |
| 39 | P | 51.6 | Low | 56.3 | Low | 120 Ų | 120 | 162.1 Ų | 162.1 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | | | cis | -132 | 125.7 | -13.2 | 21.2 | 2.5 | 0 | 0 | 0 | 112.9 | R41 | P39-R41 PolarHBondContact O-N 3.24Š|
| 40 | G | 53.7 | Low | 56 | Low | 81 Ų | 81 | 162.9 Ų | 162.9 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | -79.4 | 105.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S42 | G40-S42 PolarHBondContact O-N 3.43Å; G40-S42 VanDerWaalsContact O-N 3.16Å |
| 41 | R | 55.7 | Low | 55.5 | Low | 246 Ų | 246 | 161.8 Ų | 161.8 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | | | trans | -59 | 105.2 | 169.6 | -176.7 | -178.3 | -173 | -160.4 | 3.3 | 109.6 | P39 | P39-R41 PolarHBondContact O-N 3.24Š|
| 42 | S | 57.4 | Low | 55.3 | Low | 114 Ų | 114 | 158.5 Ų | 158.5 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -147.2 | 129.3 | 157.3 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | G40 | G40-S42 PolarHBondContact O-N 3.43Å; G40-S42 VanDerWaalsContact O-N 3.16Å |
| 43 | L | 56.1 | Low | 55.2 | Low | 178 Ų | 178 | 160.9 Ų | 160.9 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -78.2 | 135.1 | 179.5 | -65.8 | 151.2 | 0 | 0 | 0 | 108 | | |
| 44 | G | 55.8 | Low | 55.2 | Low | 78 Ų | 78 | 160.6 Ų | 160.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | 175 | 82.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D46 | G44-D46 PolarHBondContact O-N 3.16Š|
| 45 | R | 53.9 | Low | 55.3 | Low | 246 Ų | 246 | 155.5 Ų | 155.5 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | | | trans | -64 | 118.7 | 166.3 | -66 | 176 | -141 | 162.4 | 4.4 | 107.5 | | |
| 46 | D | 57.6 | Low | 55.3 | Low | 136 Ų | 136 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -141.5 | 107.6 | 148.4 | -124.8 | -32.8 | 0 | 0 | 0 | 110.5 | G44 K48 | G44-D46 PolarHBondContact O-N 3.16Å; D46-K48 PolarHBondContact O-N 2.9Å |
| 47 | K | 52 | Low | 55.1 | Low | 207 Ų | 207 | 148.3 Ų | 148.3 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | | | trans | -83.9 | 86.5 | 174.3 | -67.5 | -177.7 | 179.6 | -178 | 0 | 107.2 | | |
| 48 | K | 58.7 | Low | 55.3 | Low | 178 Ų | 178 | 146 Ų | 146 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | | | trans | -125 | 99.7 | 168.1 | -75.3 | -171 | -177.8 | 178.4 | 0 | 111 | D46 | D46-K48 PolarHBondContact O-N 2.9Š|
| 49 | K | 57.1 | Low | 55 | Low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | 30.4 | 92.9 | 148.7 | -61.7 | -175.8 | -178.2 | -126.1 | 0 | 114.7 | S51 | K49-S51 PolarHBondContact O-N 3.23Š|
| 50 | L | 54 | Low | 55.1 | Low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -63.5 | 88.7 | 162.3 | -169.1 | 68.3 | 0 | 0 | 0 | 108.1 | T52 | L50-T52 PolarHBondContact O-N 3.1Å; L50-T52 VanDerWaalsContact O-N 3.1Å |
| 51 | S | 53.1 | Low | 55.4 | Low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -67.1 | 101 | 164.8 | 172.9 | 0 | 0 | 0 | 0 | 106.9 | K49 K53 | K49-S51 PolarHBondContact O-N 3.23Å; S51-K53 PolarHBondContact O-N 3.07Å |
| 52 | T | 58.7 | Low | 55.6 | Low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -69.3 | 81.5 | 163.9 | 46.2 | 0 | 0 | 0 | 0 | 107.7 | L50 | L50-T52 PolarHBondContact O-N 3.1Å; L50-T52 VanDerWaalsContact O-N 3.1Å |
| 53 | K | 59.5 | Low | 55.9 | Low | 171 Ų | 171 | 147.9 Ų | 147.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -59.6 | 128.3 | 155.3 | -70.2 | -174.6 | 177.6 | -173.8 | 0 | 105.9 | S51 T55 | S51-K53 PolarHBondContact O-N 3.07Å; K53-T55 PolarHBondContact O-N 2.77Å; K53-T55 VanDerWaalsContact O-N 3.08Å |
| 54 | P | 61.1 | Low | 56.1 | Low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -57.1 | 123 | 171 | 24.6 | -30.2 | 0 | 0 | 0 | 106.2 | D56 | P54-D56 PolarHBondContact O-N 3.24Š|
| 55 | T | 53.5 | Low | 56.4 | Low | 137 Ų | 137 | 148.3 Ų | 148.3 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -47.1 | 114.6 | 169.4 | -54.9 | 0 | 0 | 0 | 0 | 106.2 | K53 G57 | K53-T55 PolarHBondContact O-N 2.77Å; K53-T55 VanDerWaalsContact O-N 3.08Å; T55-G57 PolarHBondContact O-N 3.1Å |
| 56 | D | 50.5 | Low | 56.8 | Low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -68.7 | 71.5 | 175.1 | -149.9 | -9.4 | 0 | 0 | 0 | 106.8 | P54 A58 | P54-D56 PolarHBondContact O-N 3.24Å; D56-A58 PolarHBondContact O-N 3.44Å |
| 57 | G | 49.4 | Very low | 57 | Low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | -73.8 | 60.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T55 V59 | T55-G57 PolarHBondContact O-N 3.1Å; G57-V59 PolarHBondContact O-N 3.47Å |
| 58 | A | 51.4 | Low | 57.2 | Low | 74 Ų | 74 | 139.1 Ų | 139.1 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | | | trans | -63 | 91.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | D56 K60 | D56-A58 PolarHBondContact O-N 3.44Å; A58-K60 VanDerWaalsContact C-N 3.32Å; A58-K60 PolarHBondContact O-N 3.07Å |
| 59 | V | 54.3 | Low | 57.1 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | trans | -45.5 | 109.1 | 157.8 | 175.6 | 0 | 0 | 0 | 0 | 104.1 | G57 V61 | G57-V59 PolarHBondContact O-N 3.47Å; V59-V61 HydrophobicContact CG1-CG2 4.36Å; V59-V61 PolarHBondContact O-N 3.5Å |
| 60 | K | 54.1 | Low | 57.4 | Low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | | | trans | -60.1 | 94.7 | 164.2 | -77.4 | -174.6 | 178.8 | -175.5 | 0 | 104.2 | A58 E62 | A58-K60 VanDerWaalsContact C-N 3.32Å; A58-K60 PolarHBondContact O-N 3.07Å; K60-E62 PolarHBondContact O-N 3.48Å |
| 61 | V | 59.2 | Low | 58.1 | Low | 119 Ų | 119 | 123.2 Ų | 123.2 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | | | trans | -64.8 | 89.3 | 158.2 | -178.7 | 0 | 0 | 0 | 0 | 102.8 | V59 K63 | V59-V61 HydrophobicContact CG1-CG2 4.36Å; V59-V61 PolarHBondContact O-N 3.5Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.43Å |
| 62 | E | 59.6 | Low | 58.8 | Low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | | | trans | -53.3 | 106.8 | 165 | -83.6 | -167.5 | 141.8 | 0 | 0 | 105.5 | K60 | K60-E62 PolarHBondContact O-N 3.48Š|
| 63 | K | 64.7 | Low | 59.3 | Low | 184 Ų | 184 | 124.1 Ų | 124.1 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.9 | 167.7 | -69.6 | 180 | 179.4 | 179.7 | 0 | 105.7 | V61 K65 | V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.43Å; K63-K65 PolarHBondContact O-N 3.06Å; K63-K65 VanDerWaalsContact O-N 3.15Å |
| 64 | P | 59.2 | Low | 59.9 | Low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127.2 | 174.5 | 22.5 | -31.3 | 0 | 0 | 0 | 108 | | |
| 65 | K | 62.9 | Low | 60.5 | Low | 150 Ų | 150 | 121.7 Ų | 121.7 | 65% | 0.652 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 131.7 | 175.6 | -77.7 | 176 | 179.6 | 172.7 | 0 | 108.1 | K63 E67 Q68 | K63-K65 PolarHBondContact O-N 3.06Å; K63-K65 VanDerWaalsContact O-N 3.15Å; K65-E67 PolarHBondContact O-N 3.31Å; K65-Q68 PolarHBondContact O-N 3.47Å |
| 66 | P | 62.9 | Low | 61.6 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.6 | 179.5 | 25.4 | -33.8 | 0 | 0 | 0 | 113.3 | Q68 S69 G70 | P66-Q68 VanDerWaalsContact C-N 3.27Å; P66-Q68 PolarHBondContact O-N 3.41Å; P66-S69 WeakPolarHBondContact CA-OG 3.39Å; P66-S69 PolarHBondContact O-N 3.05Å; P66-S69 PolarHBondContact O-OG 2.88Å; P66-G70 PolarHBondContact O-N 2.98Å |
| 67 | E | 60.6 | Low | 62.8 | Low | 148 Ų | 148 | 115.7 Ų | 115.7 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.8 | -27.2 | 179 | -60.5 | 179.9 | -177.8 | 0 | 0 | 113 | K65 | K65-E67 PolarHBondContact O-N 3.31Å |
| 68 | Q | 56.6 | Low | 64 | Low | 146 Ų | 146 | 116 Ų | 116 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.7 | -27.1 | 175.1 | -72.2 | -175.5 | -7.6 | 0 | 0 | 113.2 | K65 P66 | K65-Q68 PolarHBondContact O-N 3.47Å; P66-Q68 VanDerWaalsContact C-N 3.27Å; P66-Q68 PolarHBondContact O-N 3.41Å |
| 69 | S | 57.6 | Low | 64.8 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.8 | -28.9 | 177.3 | 40.7 | 0 | 0 | 0 | 0 | 113.4 | P66 L73 | P66-S69 WeakPolarHBondContact CA-OG 3.39Å; P66-S69 PolarHBondContact O-N 3.05Å; P66-S69 PolarHBondContact O-OG 2.88Å; S69-L73 PolarHBondContact O-N 3.37Å |
| 70 | G | 62.7 | Low | 65.2 | Low | 40 Ų | 40 | 124 Ų | 124 | 41% | 0.412 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67.2 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | P66 I72 L73 D74 | P66-G70 PolarHBondContact O-N 2.98Å; G70-I72 VanDerWaalsContact C-N 3.32Å; G70-I72 PolarHBondContact O-N 3.15Å; G70-L73 PolarHBondContact O-N 3.21Å; G70-D74 VanDerWaalsContact O-CB 3.31Å; G70-D74 WeakPolarHBondContact O-CB 3.46Å; G70-D74 PolarHBondContact O-N 3.44Å |
| 71 | I | 69.2 | Low | 65.7 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 54% | 0.538 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.3 | -37.9 | -178.9 | -60.1 | 168.2 | 0 | 0 | 0 | 110.9 | L75 | I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 VanDerWaalsContact O-CD1 3.3Å; I71-L75 WeakPolarHBondContact O-CD1 3.1Å; I71-L75 PolarHBondContact O-N 3.24Å |
| 72 | I | 67.4 | Low | 66.1 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 55% | 0.549 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.2 | -42.5 | 178.2 | -61.5 | 169.9 | 0 | 0 | 0 | 110.6 | G70 D74 L75 I76 | G70-I72 VanDerWaalsContact C-N 3.32Å; G70-I72 PolarHBondContact O-N 3.15Å; I72-D74 VanDerWaalsContact C-N 3.35Å; I72-L75 PolarHBondContact O-N 3.49Å; I72-I76 HydrophobicContact CG2-CD1 3.87Å; I72-I76 WeakPolarHBondContact O-CD1 3.49Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.25Å; I72-I76 PolarHBondContact O-N 2.63Å |
| 73 | L | 69.2 | Low | 66.4 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.4 | -39.7 | 175.1 | -81.2 | 159.1 | 0 | 0 | 0 | 112.1 | S69 G70 I76 A77 | S69-L73 PolarHBondContact O-N 3.37Å; G70-L73 PolarHBondContact O-N 3.21Å; L73-I76 PolarHBondContact O-N 3.08Å; L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 3.25Å |
| 74 | D | 71.9 | Confident | 66.5 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 68% | 0.679 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.1 | -42.1 | 177.7 | -162.9 | 42.6 | 0 | 0 | 0 | 111.8 | G70 I72 I76 A77 G78 | G70-D74 VanDerWaalsContact O-CB 3.31Å; G70-D74 WeakPolarHBondContact O-CB 3.46Å; G70-D74 PolarHBondContact O-N 3.44Å; I72-D74 VanDerWaalsContact C-N 3.35Å; D74-I76 PolarHBondContact O-N 3.29Å; D74-A77 PolarHBondContact O-N 3.31Å; D74-G78 PolarHBondContact O-N 3.31Å |
| 75 | L | 73.9 | Confident | 67 | Low | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.5 | -41.4 | 173.4 | -103.2 | 108.8 | 0 | 0 | 0 | 112.8 | I71 I72 G78 M79 | I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 VanDerWaalsContact O-CD1 3.3Å; I71-L75 WeakPolarHBondContact O-CD1 3.1Å; I71-L75 PolarHBondContact O-N 3.24Å; I72-L75 PolarHBondContact O-N 3.49Å; L75-G78 PolarHBondContact O-N 3.36Å; L75-M79 WeakPolarHBondContact O-CG 3.29Å; L75-M79 PolarHBondContact O-N 3.39Å |
| 76 | I | 76.1 | Confident | 67.3 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.6 | -38.9 | 179.7 | -67 | 166.3 | 0 | 0 | 0 | 110.8 | I72 L73 D74 G78 M79 | I72-I76 HydrophobicContact CG2-CD1 3.87Å; I72-I76 WeakPolarHBondContact O-CD1 3.49Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.25Å; I72-I76 PolarHBondContact O-N 2.63Å; L73-I76 PolarHBondContact O-N 3.08Å; D74-I76 PolarHBondContact O-N 3.29Å; I76-G78 VanDerWaalsContact C-N 3.34Å; I76-M79 PolarHBondContact O-N 2.92Å |
| 77 | A | 76.8 | Confident | 67.6 | Low | 65 Ų | 65 | 112.1 Ų | 112.1 | 54% | 0.537 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.2 | -32.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L73 D74 M79 | L73-A77 WeakPolarHBondContact O-CB 3.38Å; L73-A77 PolarHBondContact O-N 3.25Å; D74-A77 PolarHBondContact O-N 3.31Å; A77-M79 VanDerWaalsContact C-N 3.32Å; A77-M79 PolarHBondContact O-N 2.95Å |
| 78 | G | 73.8 | Confident | 68.1 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -8.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D74 L75 I76 | D74-G78 PolarHBondContact O-N 3.31Å; L75-G78 PolarHBondContact O-N 3.36Å; I76-G78 VanDerWaalsContact C-N 3.34Å |
| 79 | M | 68.6 | Low | 69.1 | Low | 159 Ų | 159 | 106.3 Ų | 106.3 | 78% | 0.783 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -5.8 | -180 | -72.9 | -172.5 | 68.9 | 0 | 0 | 114.3 | L75 I76 A77 | L75-M79 WeakPolarHBondContact O-CG 3.29Å; L75-M79 PolarHBondContact O-N 3.39Å; I76-M79 PolarHBondContact O-N 2.92Å; A77-M79 VanDerWaalsContact C-N 3.32Å; A77-M79 PolarHBondContact O-N 2.95Å |
| 80 | L | 61.6 | Low | 70.1 | Confident | 206 Ų | 206 | 110.2 Ų | 110.2 | 100% | 1.079 | 64% | 0.638 | S | S | * | * | | | trans | -91.8 | 0 | 175.8 | -109.1 | 142.2 | 0 | 0 | 0 | 110.8 | | |