| 1 | M | 62.5 | Low | 83.2 | Confident | 210 Ų | 210 | 118 Ų | 118 | 100% | 1.034 | 63% | 0.627 | S | S | * | * | | | | 0 | -17.8 | 0 | -67.2 | -163.6 | -175 | 0 | 0 | 114.6 | | |
| 2 | S | 79.7 | Confident | 83.2 | Confident | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72 | -34.7 | -177.7 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | V4 K5 L6 | S2-V4 PolarHBondContact O-N 2.86Å; S2-K5 WeakPolarHBondContact O-CB 3.42Å; S2-K5 PolarHBondContact O-N 2.9Å; S2-L6 PolarHBondContact O-N 2.95Å; S2-L6 VanDerWaalsContact O-N 3.1Å |
| 3 | Q | 79.6 | Confident | 83 | Confident | 151 Ų | 151 | 111.8 Ų | 111.8 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63 | -40.1 | -176.7 | -165.7 | 177 | 6.3 | 0 | 0 | 112.8 | K5 L6 L7 | Q3-K5 VanDerWaalsContact C-N 3.34Å; Q3-K5 PolarHBondContact O-N 3.47Å; Q3-L6 PolarHBondContact O-N 2.93Å; Q3-L7 PolarHBondContact O-N 2.93Å |
| 4 | V | 85.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66 | -38 | 176.8 | -177 | 0 | 0 | 0 | 0 | 111.1 | S2 L6 L7 I8 | S2-V4 PolarHBondContact O-N 2.86Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 2.68Å; V4-L7 PolarHBondContact O-N 2.72Å; V4-I8 HydrophobicContact CG1-CD1 4.02Å; V4-I8 WeakPolarHBondContact O-CG1 3.25Å; V4-I8 PolarHBondContact O-N 3.06Å |
| 5 | K | 85.4 | Confident | 82.3 | Confident | 149 Ų | 149 | 109.7 Ų | 109.7 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 176.3 | -67.4 | -175.8 | 177.8 | -175.1 | 0 | 111.7 | S2 Q3 I8 V9 | S2-K5 WeakPolarHBondContact O-CB 3.42Å; S2-K5 PolarHBondContact O-N 2.9Å; Q3-K5 VanDerWaalsContact C-N 3.34Å; Q3-K5 PolarHBondContact O-N 3.47Å; K5-I8 PolarHBondContact O-N 3.08Å; K5-V9 WeakPolarHBondContact O-CG2 3.38Å; K5-V9 PolarHBondContact O-N 2.76Å |
| 6 | L | 88.2 | Confident | 81.8 | Confident | 119 Ų | 119 | 111.2 Ų | 111.2 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -47 | 177.9 | -166.4 | 77.5 | 0 | 0 | 0 | 111.2 | S2 Q3 V4 I8 V9 T10 | S2-L6 PolarHBondContact O-N 2.95Å; S2-L6 VanDerWaalsContact O-N 3.1Å; Q3-L6 PolarHBondContact O-N 2.93Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 2.68Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 3.42Å; L6-V9 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-N 2.9Å; L6-T10 VanDerWaalsContact O-N 3.07Å; L6-T10 PolarHBondContact O-OG1 2.96Å; L6-T10 VanDerWaalsContact O-OG1 3.05Å |
| 7 | L | 87.8 | Confident | 80.9 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.3 | -41 | 178.9 | -70.6 | 173.6 | 0 | 0 | 0 | 112.5 | Q3 V4 T10 L11 | Q3-L7 PolarHBondContact O-N 2.93Å; V4-L7 PolarHBondContact O-N 2.72Å; L7-T10 PolarHBondContact O-N 2.95Å; L7-L11 WeakPolarHBondContact O-CG 3.22Å; L7-L11 PolarHBondContact O-N 3.06Å |
| 8 | I | 88.8 | Confident | 79.9 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.6 | -44.1 | 178.8 | -67.2 | 165.6 | 0 | 0 | 0 | 111.2 | V4 K5 L6 T10 L11 L12 | V4-I8 HydrophobicContact CG1-CD1 4.02Å; V4-I8 WeakPolarHBondContact O-CG1 3.25Å; V4-I8 PolarHBondContact O-N 3.06Å; K5-I8 PolarHBondContact O-N 3.08Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 3.42Å; I8-T10 PolarHBondContact O-N 3Å; I8-L11 PolarHBondContact O-N 2.98Å; I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 2.81Å |
| 9 | V | 87.7 | Confident | 78.9 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.1 | -43.2 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | K5 L6 L12 S13 | K5-V9 WeakPolarHBondContact O-CG2 3.38Å; K5-V9 PolarHBondContact O-N 2.76Å; L6-V9 PolarHBondContact O-N 3.12Å; V9-L12 PolarHBondContact O-N 2.91Å; V9-S13 PolarHBondContact O-N 3.02Å; V9-S13 PolarHBondContact O-OG 2.78Å |
| 10 | T | 85.3 | Confident | 77.7 | Confident | 68 Ų | 68 | 112.8 Ų | 112.8 | 42% | 0.417 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.5 | -43.9 | 178.6 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | L6 L7 I8 S13 L14 | L6-T10 PolarHBondContact O-N 2.9Å; L6-T10 VanDerWaalsContact O-N 3.07Å; L6-T10 PolarHBondContact O-OG1 2.96Å; L6-T10 VanDerWaalsContact O-OG1 3.05Å; L7-T10 PolarHBondContact O-N 2.95Å; I8-T10 PolarHBondContact O-N 3Å; T10-S13 WeakPolarHBondContact CA-OG 3.37Å; T10-S13 PolarHBondContact O-N 3.4Å; T10-S13 PolarHBondContact O-OG 2.9Å; T10-L14 HydrophobicContact CG2-CD1 4.4Å; T10-L14 PolarHBondContact O-N 2.73Å |
| 11 | L | 84.4 | Confident | 76.7 | Confident | 115 Ų | 115 | 116.2 Ų | 116.2 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63 | -43.8 | 177 | -77.4 | 164.4 | 0 | 0 | 0 | 112.3 | L7 I8 S13 L14 V15 | L7-L11 WeakPolarHBondContact O-CG 3.22Å; L7-L11 PolarHBondContact O-N 3.06Å; I8-L11 PolarHBondContact O-N 2.98Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 3.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.78Å; L11-V15 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 82.6 | Confident | 76.6 | Confident | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.9 | -38.6 | 175.6 | -74.5 | 169 | 0 | 0 | 0 | 111.8 | I8 V9 L16 | I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 2.81Å; V9-L12 PolarHBondContact O-N 2.91Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 2.78Å |
| 13 | S | 81.1 | Confident | 75.5 | Confident | 46 Ų | 46 | 112.2 Ų | 112.2 | 32% | 0.322 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.6 | -43.8 | 175.7 | 67 | 0 | 0 | 0 | 0 | 112.1 | V9 T10 L11 V15 L16 F17 | V9-S13 PolarHBondContact O-N 3.02Å; V9-S13 PolarHBondContact O-OG 2.78Å; T10-S13 WeakPolarHBondContact CA-OG 3.37Å; T10-S13 PolarHBondContact O-N 3.4Å; T10-S13 PolarHBondContact O-OG 2.9Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.01Å; S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.26Å; S13-L16 PolarHBondContact O-N 3.46Å; S13-L16 VanDerWaalsContact O-N 3.13Å; S13-F17 WeakPolarHBondContact O-CD2 3.44Å; S13-F17 PolarHBondContact O-N 2.83Å |
| 14 | L | 77.7 | Confident | 74.5 | Confident | 87 Ų | 87 | 112.6 Ų | 112.6 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.2 | -42.8 | 178.1 | -81.7 | 159.1 | 0 | 0 | 0 | 112.1 | T10 L11 L16 F17 E18 | T10-L14 HydrophobicContact CG2-CD1 4.4Å; T10-L14 PolarHBondContact O-N 2.73Å; L11-L14 PolarHBondContact O-N 3.11Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.68Å; L14-F17 PolarHBondContact O-N 3.19Å; L14-F17 VanDerWaalsContact O-N 3.14Å; L14-E18 WeakPolarHBondContact O-CB 3.49Å; L14-E18 PolarHBondContact O-N 3.21Å |
| 15 | V | 78.3 | Confident | 73.2 | Confident | 104 Ų | 104 | 113.8 Ų | 113.8 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 177 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | L11 S13 F17 | L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.78Å; L11-V15 VanDerWaalsContact O-N 3.12Å; S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.26Å; V15-F17 VanDerWaalsContact C-N 3.33Å |
| 16 | L | 73.3 | Confident | 71.8 | Confident | 134 Ų | 134 | 112.8 Ų | 112.8 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.1 | -31 | 176.4 | -68.4 | 171.9 | 0 | 0 | 0 | 112.5 | L12 S13 L14 | L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 2.78Å; S13-L16 PolarHBondContact O-N 3.46Å; S13-L16 VanDerWaalsContact O-N 3.13Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.68Å |
| 17 | F | 66.2 | Low | 70.5 | Confident | 157 Ų | 157 | 114.3 Ų | 114.3 | 69% | 0.689 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -90.6 | -34 | -178.2 | -81.2 | -77.6 | 0 | 0 | 0 | 113.7 | S13 L14 V15 G19 V20 | S13-F17 WeakPolarHBondContact O-CD2 3.44Å; S13-F17 PolarHBondContact O-N 2.83Å; L14-F17 PolarHBondContact O-N 3.19Å; L14-F17 VanDerWaalsContact O-N 3.14Å; V15-F17 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 2.85Å; F17-V20 PolarHBondContact O-N 2.77Å; F17-V20 VanDerWaalsContact O-N 3.09Å |
| 18 | E | 63 | Low | 69.5 | Low | 147 Ų | 147 | 116.3 Ų | 116.3 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.9 | -26.1 | 175 | -86.2 | -171.4 | 144.6 | 0 | 0 | 112.5 | L14 V20 K21 | L14-E18 WeakPolarHBondContact O-CB 3.49Å; L14-E18 PolarHBondContact O-N 3.21Å; E18-V20 PolarHBondContact O-N 2.8Å; E18-K21 PolarHBondContact O-N 3Å |
| 19 | G | 60.7 | Low | 68.6 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -14.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F17 K21 | F17-G19 PolarHBondContact O-N 2.85Å; G19-K21 PolarHBondContact O-N 3.42Å |
| 20 | V | 56.7 | Low | 67.8 | Low | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 66% | 0.657 | S | S | * | * | | | trans | -92.7 | 56.4 | 169.4 | -164.9 | 0 | 0 | 0 | 0 | 108.5 | F17 E18 A22 | F17-V20 PolarHBondContact O-N 2.77Å; F17-V20 VanDerWaalsContact O-N 3.09Å; E18-V20 PolarHBondContact O-N 2.8Å; V20-A22 PolarHBondContact O-N 3.27Å |
| 21 | K | 56.1 | Low | 67.2 | Low | 185 Ų | 185 | 123.6 Ų | 123.6 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | | | trans | -66.5 | 96.9 | 144.5 | -76 | -166.3 | 175.9 | -175.1 | 0 | 104.4 | E18 G19 E23 | E18-K21 PolarHBondContact O-N 3Å; G19-K21 PolarHBondContact O-N 3.42Å; K21-E23 PolarHBondContact O-N 3.28Å |
| 22 | A | 60.1 | Low | 66.8 | Low | 74 Ų | 74 | 126.2 Ų | 126.2 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | | | trans | -54.9 | 98 | 152.7 | 0 | 0 | 0 | 0 | 0 | 104 | V20 E24 | V20-A22 PolarHBondContact O-N 3.27Å; A22-E24 PolarHBondContact O-N 2.83Å |
| 23 | E | 56.6 | Low | 66.5 | Low | 152 Ų | 152 | 130.4 Ų | 130.4 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | | | trans | -59.2 | 82.3 | 153.2 | -166.1 | 179 | 130 | 0 | 0 | 103.3 | K21 N25 | K21-E23 PolarHBondContact O-N 3.28Å; E23-N25 PolarHBondContact O-N 3.36Å; E23-N25 PolarHBondContact OE1-ND2 3.09Å; E23-N25 PolarHBondContact OE1-OD1 3.31Å |
| 24 | E | 58.1 | Low | 66.3 | Low | 159 Ų | 159 | 133.6 Ų | 133.6 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | | | trans | -54.7 | 88.5 | 151.1 | -76.9 | 179.5 | 140.7 | 0 | 0 | 102.5 | A22 D26 | A22-E24 PolarHBondContact O-N 2.83Å; E24-D26 PolarHBondContact O-N 3.37Å |
| 25 | N | 59.7 | Low | 66.2 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | trans | -61.6 | 86.4 | 155.3 | -84.1 | -63.9 | 0 | 0 | 0 | 103.6 | E23 | E23-N25 PolarHBondContact O-N 3.36Å; E23-N25 PolarHBondContact OE1-ND2 3.09Å; E23-N25 PolarHBondContact OE1-OD1 3.31Å |
| 26 | D | 56.4 | Low | 66 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.8 | 137.9 | 153.4 | -70.2 | -44.7 | 0 | 0 | 0 | 107 | E24 | E24-D26 PolarHBondContact O-N 3.37Š|
| 27 | D | 60.1 | Low | 65.8 | Low | 151 Ų | 151 | 145.4 Ų | 145.4 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.8 | 26.8 | 164.8 | -49.9 | -29.5 | 0 | 0 | 0 | 119.8 | E29 | D27-E29 PolarHBondContact O-N 3.25Š|
| 28 | D | 66.6 | Low | 65.8 | Low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | | | trans | -74.1 | 83.7 | 143.3 | -80.3 | -22.5 | 0 | 0 | 0 | 107.6 | I30 | D28-I30 PolarHBondContact O-N 2.76Š|
| 29 | E | 70.1 | Confident | 65.6 | Low | 167 Ų | 167 | 142.8 Ų | 142.8 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | trans | -50.4 | 107.3 | 169.4 | -177.5 | 178.6 | -173.1 | 0 | 0 | 108.2 | D27 V31 | D27-E29 PolarHBondContact O-N 3.25Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 HydrophobicContact CG-CG2 4.5Å; E29-V31 PolarHBondContact O-N 2.97Å |
| 30 | I | 70.5 | Confident | 65.3 | Low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 73% | 0.733 | S | S | * | * | | | trans | -68.9 | 92.5 | 177.2 | -58.2 | 172.9 | 0 | 0 | 0 | 106.8 | D28 E32 | D28-I30 PolarHBondContact O-N 2.76Å; I30-E32 PolarHBondContact O-N 3.29Å |
| 31 | V | 72.8 | Confident | 65.2 | Low | 80 Ų | 80 | 148.2 Ų | 148.2 | 49% | 0.485 | 74% | 0.739 | S | S | . | * | | | trans | -69.1 | 99.5 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | E29 Y33 | E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 HydrophobicContact CG-CG2 4.5Å; E29-V31 PolarHBondContact O-N 2.97Å; V31-Y33 HydrophobicContact CB-CE2 4.05Å; V31-Y33 HydrophobicContact CG1-CD1 4.49Å; V31-Y33 HydrophobicContact CG1-CD2 4.27Å; V31-Y33 HydrophobicContact CG1-CE1 4.09Å; V31-Y33 HydrophobicContact CG1-CE2 3.83Å; V31-Y33 VanDerWaalsContact O-CD2 3.25Å; V31-Y33 WeakPolarHBondContact O-CD2 3.32Å; V31-Y33 PolarHBondContact O-N 3.14Å |
| 32 | E | 76.4 | Confident | 65.2 | Low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -71.4 | 97.6 | 174.2 | -172.6 | 177.1 | -166.3 | 0 | 0 | 109.9 | I30 T34 | I30-E32 PolarHBondContact O-N 3.29Å; E32-T34 PolarHBondContact O-N 2.99Å; E32-T34 VanDerWaalsContact O-N 3.08Å |
| 33 | Y | 75.7 | Confident | 65.1 | Low | 199 Ų | 199 | 149.3 Ų | 149.3 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -72.7 | 102.2 | 171.8 | -65 | -85.2 | 0 | 0 | 0 | 109.9 | V31 R35 | V31-Y33 HydrophobicContact CB-CE2 4.05Å; V31-Y33 HydrophobicContact CG1-CD1 4.49Å; V31-Y33 HydrophobicContact CG1-CD2 4.27Å; V31-Y33 HydrophobicContact CG1-CE1 4.09Å; V31-Y33 HydrophobicContact CG1-CE2 3.83Å; V31-Y33 VanDerWaalsContact O-CD2 3.25Å; V31-Y33 WeakPolarHBondContact O-CD2 3.32Å; V31-Y33 PolarHBondContact O-N 3.14Å; Y33-R35 PolarHBondContact O-N 3.39Å |
| 34 | T | 77.2 | Confident | 64.9 | Low | 113 Ų | 113 | 148.3 Ų | 148.3 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | | | trans | -65 | 109.5 | 164.1 | -61.4 | 0 | 0 | 0 | 0 | 108.2 | E32 I36 | E32-T34 PolarHBondContact O-N 2.99Å; E32-T34 VanDerWaalsContact O-N 3.08Å; T34-I36 PolarHBondContact O-N 3.37Å |
| 35 | R | 74.5 | Confident | 64.7 | Low | 217 Ų | 217 | 146.2 Ų | 146.2 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | | | trans | -65.3 | 100 | 171.9 | -176.4 | 177.9 | -175.8 | 161.9 | 2.5 | 108.4 | Y33 R37 | Y33-R35 PolarHBondContact O-N 3.39Å; R35-R37 PolarHBondContact O-N 3.13Å |
| 36 | I | 75.1 | Confident | 64.6 | Low | 144 Ų | 144 | 149.1 Ų | 149.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -59.6 | 107.8 | 166.9 | -55.9 | 174.6 | 0 | 0 | 0 | 106.2 | T34 | T34-I36 PolarHBondContact O-N 3.37Š|
| 37 | R | 69.6 | Low | 64.5 | Low | 212 Ų | 212 | 147.5 Ų | 147.5 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -75 | 122.4 | 160.4 | -73.3 | -178 | 172.2 | 148.3 | 0.5 | 105 | R35 S39 | R35-R37 PolarHBondContact O-N 3.13Å; R37-S39 PolarHBondContact O-N 2.99Å |
| 38 | N | 66 | Low | 64.3 | Low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 117 | 165.1 | -75.1 | 4.9 | 0 | 0 | 0 | 106 | D40 | N38-D40 PolarHBondContact O-N 3.25Å; N38-D40 VanDerWaalsContact O-N 3.12Å |
| 39 | S | 58.2 | Low | 63.7 | Low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -50.5 | 119.3 | 179.2 | 43.9 | 0 | 0 | 0 | 0 | 108.5 | R37 D41 | R37-S39 PolarHBondContact O-N 2.99Å; S39-D41 PolarHBondContact O-N 3.39Å |
| 40 | D | 55.2 | Low | 63.1 | Low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | 41.6 | 80.4 | 154.6 | -52.9 | -40.4 | 0 | 0 | 0 | 113.3 | N38 T42 | N38-D40 PolarHBondContact O-N 3.25Å; N38-D40 VanDerWaalsContact O-N 3.12Å; D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 PolarHBondContact O-N 3.12Å |
| 41 | D | 53.2 | Low | 62.4 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | -41.4 | 113.3 | 142.6 | -76.7 | -38.4 | 0 | 0 | 0 | 105.7 | S39 E43 | S39-D41 PolarHBondContact O-N 3.39Å; D41-E43 HydrophobicContact CB-CG 4.04Å; D41-E43 PolarHBondContact O-N 3.25Å |
| 42 | T | 56.1 | Low | 61.7 | Low | 132 Ų | 132 | 140.8 Ų | 140.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | -70.1 | 65.5 | 174.3 | 12.5 | 0 | 0 | 0 | 0 | 106.1 | D40 D44 | D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 PolarHBondContact O-N 3.12Å; T42-D44 PolarHBondContact O-N 3Å |
| 43 | E | 58.1 | Low | 60.5 | Low | 151 Ų | 151 | 142.2 Ų | 142.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | -76.8 | 78 | 170.5 | -76.2 | -89.5 | 139.8 | 0 | 0 | 105.9 | D41 S45 | D41-E43 HydrophobicContact CB-CG 4.04Å; D41-E43 PolarHBondContact O-N 3.25Å; E43-S45 PolarHBondContact O-N 3.39Å |
| 44 | D | 52.4 | Low | 59.5 | Low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | trans | 22.8 | 101.4 | 138.4 | -69.8 | -37 | 0 | 0 | 0 | 113.5 | T42 K46 | T42-D44 PolarHBondContact O-N 3Å; D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 2.99Å |
| 45 | S | 54 | Low | 58.3 | Low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -5.5 | 77.7 | 148.8 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | E43 S47 | E43-S45 PolarHBondContact O-N 3.39Å; S45-S47 PolarHBondContact O-N 3.43Å |
| 46 | K | 58.2 | Low | 56.9 | Low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | -72 | 86 | 155.7 | -86.8 | 174.6 | -179.4 | 151.2 | 0 | 105.5 | D44 C48 | D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 2.99Å; K46-C48 PolarHBondContact O-N 2.66Å |
| 47 | S | 54.3 | Low | 55.9 | Low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | -52 | 108.4 | 160 | 51.5 | 0 | 0 | 0 | 0 | 107.2 | S45 D49 | S45-S47 PolarHBondContact O-N 3.43Å; S47-D49 PolarHBondContact O-N 3.07Å |
| 48 | C | 56.2 | Low | 54.6 | Low | 80 Ų | 80 | 145.7 Ų | 145.7 | 54% | 0.541 | 77% | 0.77 | S | S | . | * | | | trans | -68.3 | 89.9 | 166 | -66.6 | 0 | 0 | 0 | 0 | 106.5 | K46 D50 | K46-C48 PolarHBondContact O-N 2.66Å; C48-D50 VanDerWaalsContact C-N 3.34Å; C48-D50 PolarHBondContact O-N 3.48Å |
| 49 | D | 54 | Low | 53.6 | Low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -62.7 | 103.9 | 164.1 | -84.3 | -38.6 | 0 | 0 | 0 | 107 | S47 S51 | S47-D49 PolarHBondContact O-N 3.07Å; D49-S51 PolarHBondContact O-N 3.49Å |
| 50 | D | 57.2 | Low | 53 | Low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -69.9 | 68.9 | 177.8 | -166 | -0.4 | 0 | 0 | 0 | 109.7 | C48 S52 | C48-D50 VanDerWaalsContact C-N 3.34Å; C48-D50 PolarHBondContact O-N 3.48Å; D50-S52 PolarHBondContact O-N 3.45Å |
| 51 | S | 56.3 | Low | 52.9 | Low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -91.1 | 60.7 | 173.1 | -164.7 | 0 | 0 | 0 | 0 | 109.5 | D49 | D49-S51 PolarHBondContact O-N 3.49Š|
| 52 | S | 57.9 | Low | 52.5 | Low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | -135.2 | 39.7 | 162.2 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | D50 N54 | D50-S52 PolarHBondContact O-N 3.45Å; S52-N54 PolarHBondContact O-N 3.04Å |
| 53 | K | 51.9 | Low | 52.1 | Low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -64.1 | 80.1 | 150.1 | -76.6 | -174.2 | 179.6 | 171.5 | 0 | 109.5 | | |
| 54 | N | 53.9 | Low | 51.6 | Low | 152 Ų | 152 | 149.2 Ų | 149.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | 154.3 | 101.9 | 142.6 | -88 | -26.5 | 0 | 0 | 0 | 111.9 | S52 | S52-N54 PolarHBondContact O-N 3.04Š|
| 55 | K | 52.1 | Low | 51.1 | Low | 210 Ų | 210 | 149.8 Ų | 149.8 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | | -159.9 | 83.4 | 126.9 | -117.6 | 172.1 | -178.3 | 172 | 0 | 110.4 | R57 | K55-R57 PolarHBondContact O-N 3.4Š|
| 56 | K | 45.2 | Very low | 50.7 | Low | 203 Ų | 203 | 152.5 Ų | 152.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -61.2 | 117 | 149.9 | -79.5 | -176.2 | 177.4 | 179.8 | 0 | 107.4 | | |
| 57 | R | 53.3 | Low | 50 | Low | 231 Ų | 231 | 148.8 Ų | 148.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | | 175 | 110.3 | 128 | -100.7 | 173.1 | 169.4 | 165.3 | -3.2 | 111.8 | K55 | K55-R57 PolarHBondContact O-N 3.4Š|
| 58 | N | 43.2 | Very low | 49.5 | Very low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | 24 | 118.6 | 131.3 | -61.8 | 14.3 | 0 | 0 | 0 | 117.6 | | |
| 59 | G | 44.9 | Very low | 48.7 | Very low | 74 Ų | 74 | 157.3 Ų | 157.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -166.6 | 65.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N61 | G59-N61 PolarHBondContact O-N 3.19Š|
| 60 | I | 46.2 | Very low | 48.2 | Very low | 143 Ų | 143 | 160 Ų | 160 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -56.2 | 100 | 169.3 | -62.9 | 160.8 | 0 | 0 | 0 | 107.8 | K62 | I60-K62 HydrophobicContact CG2-CG 4.23Š|
| 61 | N | 51.9 | Low | 47.8 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -115.1 | 96.9 | 156.8 | -84 | -8.2 | 0 | 0 | 0 | 108.2 | G59 T63 | G59-N61 PolarHBondContact O-N 3.19Å; N61-T63 PolarHBondContact O-N 3.43Å |
| 62 | K | 45 | Very low | 47.4 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | -54.9 | 125.5 | 162.8 | -69.3 | 173.4 | 176.2 | 172.7 | 0 | 108.5 | I60 | I60-K62 HydrophobicContact CG2-CG 4.23Š|
| 63 | T | 48 | Very low | 46.9 | Very low | 142 Ų | 142 | 163 Ų | 163 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | | | trans | -140.2 | 98.2 | 143.6 | -9 | 0 | 0 | 0 | 0 | 107.3 | N61 | N61-T63 PolarHBondContact O-N 3.43Š|
| 64 | K | 47.2 | Very low | 46.9 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -61.6 | 151.8 | 165.2 | -90.4 | 179.8 | 169.4 | -178.7 | 0 | 108.9 | | |
| 65 | N | 43.1 | Very low | 46.6 | Very low | 143 Ų | 143 | 160.3 Ų | 160.3 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 91.8 | 93.9 | 164 | -51.6 | -19.1 | 0 | 0 | 0 | 115.6 | | |
| 66 | I | 43.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | | -139.3 | 108.1 | 107 | -72.4 | 114.1 | 0 | 0 | 0 | 106.3 | | |
| 67 | S | 44.9 | Very low | 47 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | -78.7 | 155.6 | 162.6 | 66.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 68 | K | 42.8 | Very low | 47.3 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | trans | 88 | 69.5 | 174.3 | -51.6 | -169.6 | -179.6 | -175.2 | 0 | 116 | K70 | K68-K70 PolarHBondContact O-N 3.18Š|
| 69 | E | 40 | Very low | 47.9 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | | 47.8 | 67.6 | 104.4 | -158 | 172.9 | -165.5 | 0 | 0 | 114.5 | | |
| 70 | K | 43.5 | Very low | 48.5 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -92.1 | 97.8 | 141.4 | -73.6 | -172.8 | 178.3 | -176.7 | 0 | 105.7 | K68 S72 | K68-K70 PolarHBondContact O-N 3.18Å; K70-S72 PolarHBondContact O-N 3.36Å |
| 71 | Q | 48 | Very low | 48.8 | Very low | 152 Ų | 152 | 161.2 Ų | 161.2 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | | | trans | -69.2 | 76.6 | 167.8 | -165.7 | 174.1 | -1.6 | 0 | 0 | 107.1 | H73 | Q71-H73 PolarHBondContact O-N 3.25Š|
| 72 | S | 49 | Very low | 48.6 | Very low | 96 Ų | 96 | 161.8 Ų | 161.8 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | | | trans | -70 | 118.1 | 163.5 | 51.6 | 0 | 0 | 0 | 0 | 106.3 | K70 D74 | K70-S72 PolarHBondContact O-N 3.36Å; S72-D74 PolarHBondContact O-N 3.05Å |
| 73 | H | 46.4 | Very low | 48.8 | Very low | 165 Ų | 165 | 160.5 Ų | 160.5 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | | | trans | -59.2 | 94.5 | 162.2 | -76.9 | -91.8 | 0 | 0 | 0 | 107 | Q71 D75 | Q71-H73 PolarHBondContact O-N 3.25Å; H73-D75 PolarHBondContact O-N 3.47Å |
| 74 | D | 52.5 | Low | 48.8 | Very low | 151 Ų | 151 | 161.4 Ų | 161.4 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | | | trans | -75.2 | 105 | 172.6 | -154.3 | 0 | 0 | 0 | 0 | 105.8 | S72 G76 | S72-D74 PolarHBondContact O-N 3.05Å; D74-G76 PolarHBondContact O-N 3.1Å |
| 75 | D | 48.5 | Very low | 48.9 | Very low | 144 Ų | 144 | 160 Ų | 160 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | | | trans | -47.1 | 123.2 | 178.3 | -85.5 | -47.7 | 0 | 0 | 0 | 109.4 | H73 S77 | H73-D75 PolarHBondContact O-N 3.47Å; D75-S77 PolarHBondContact O-N 3.31Å |
| 76 | G | 48.1 | Very low | 49.3 | Very low | 79 Ų | 79 | 161 Ų | 161 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -65.4 | 40.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D74 R78 | D74-G76 PolarHBondContact O-N 3.1Å; G76-R78 PolarHBondContact O-N 3.49Å; G76-R78 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 56 | Low | 49.6 | Very low | 100 Ų | 100 | 160.3 Ų | 160.3 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | | | trans | -81.7 | 58.6 | 157.9 | 83.3 | 0 | 0 | 0 | 0 | 110 | D75 K79 | D75-S77 PolarHBondContact O-N 3.31Å; S77-K79 PolarHBondContact O-N 3.19Å |
| 78 | R | 60.2 | Low | 49.9 | Very low | 236 Ų | 236 | 164.3 Ų | 164.3 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | trans | -62.4 | 89.4 | 154.3 | -82.4 | -173.5 | -177.6 | -173.2 | 2.4 | 105.8 | G76 K80 | G76-R78 PolarHBondContact O-N 3.49Å; G76-R78 VanDerWaalsContact O-N 3.11Å; R78-K80 PolarHBondContact O-N 3.4Å |
| 79 | K | 56.4 | Low | 50.5 | Low | 184 Ų | 184 | 163.1 Ų | 163.1 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | | | trans | -48.5 | 111.7 | 158.5 | -71.8 | -174.6 | 177.6 | 180 | 0 | 104.2 | S77 R81 | S77-K79 PolarHBondContact O-N 3.19Å; K79-R81 VanDerWaalsContact C-N 3.29Å; K79-R81 PolarHBondContact O-N 3.19Å |
| 80 | K | 56.7 | Low | 51.3 | Low | 206 Ų | 206 | 162.5 Ų | 162.5 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | | | trans | -51.7 | 103.3 | 173.5 | -78.3 | -179.8 | 177.5 | 175.8 | 0 | 105.3 | R78 C82 | R78-K80 PolarHBondContact O-N 3.4Å; K80-C82 PolarHBondContact O-N 3.41Å |
| 81 | R | 53.6 | Low | 51.9 | Low | 237 Ų | 237 | 159.8 Ų | 159.8 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | | | trans | -69.5 | 126.7 | 163.8 | -73.7 | -175.2 | 167.3 | -170.4 | -3.5 | 104.4 | K79 | K79-R81 VanDerWaalsContact C-N 3.29Å; K79-R81 PolarHBondContact O-N 3.19Å |
| 82 | C | 47.5 | Very low | 52.3 | Low | 168 Ų | 168 | 160.5 Ų | 160.5 | 100% | 1.135 | 83% | 0.831 | S | S | * | * | | | trans | -46.7 | 0 | 170.8 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | K80 | K80-C82 PolarHBondContact O-N 3.41Š|