| 1 | Q | 45.4 | Very low | 55.1 | Low | 244 Ų | 244 | 145.5 Ų | 145.5 | 100% | 1.14 | 77% | 0.774 | S | S | * | * | | | | 0 | 102.7 | 0 | -168.1 | -174 | -46.2 | 0 | 0 | 106.3 | | |
| 2 | P | 45.7 | Very low | 55.7 | Low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | | | trans | -85.8 | 125.6 | -174.5 | 30.2 | -23.4 | 0 | 0 | 0 | 110.6 | | |
| 3 | E | 51.8 | Low | 56.3 | Low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 44.4 | 112.4 | 138.4 | -63.5 | 165.6 | 110.3 | 0 | 0 | 118.4 | A5 | E3-A5 PolarHBondContact O-N 2.99Š|
| 4 | S | 51.3 | Low | 57 | Low | 94 Ų | 94 | 149.9 Ų | 149.9 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | | | trans | -45.5 | 122.8 | 173.1 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | E6 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact OG-OE2 2.74Å; S4-E6 PolarHBondContact O-N 2.93Å |
| 5 | A | 57.8 | Low | 57.6 | Low | 101 Ų | 101 | 147.3 Ų | 147.3 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -69.7 | 76.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E3 | E3-A5 PolarHBondContact O-N 2.99Š|
| 6 | E | 60.5 | Low | 58.4 | Low | 137 Ų | 137 | 149.6 Ų | 149.6 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | | | trans | -107.4 | 75.6 | 168.3 | -78.8 | 170.5 | 95.7 | 0 | 0 | 109.5 | S4 H8 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact OG-OE2 2.74Å; S4-E6 PolarHBondContact O-N 2.93Å; E6-H8 VanDerWaalsContact C-N 3.27Å; E6-H8 PolarHBondContact O-N 3.17Å; E6-H8 PolarHBondContact O-CD2 3.21Å; E6-H8 VanDerWaalsContact O-CD2 3.27Å |
| 7 | K | 58.8 | Low | 58.7 | Low | 185 Ų | 185 | 155.1 Ų | 155.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -65.2 | 90.5 | 165.1 | 73.6 | -166.9 | -159.4 | -172.4 | 0 | 107.7 | V9 | K7-V9 HydrophobicContact CB-CG2 4.47Å; K7-V9 HydrophobicContact CG-CG2 4.21Å; K7-V9 PolarHBondContact O-N 2.77Å |
| 8 | H | 58.8 | Low | 59 | Low | 152 Ų | 152 | 149.8 Ų | 149.8 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | | | trans | -69.8 | 79.1 | 166.7 | -69 | -93.1 | 0 | 0 | 0 | 108.4 | E6 T10 | E6-H8 VanDerWaalsContact C-N 3.27Å; E6-H8 PolarHBondContact O-N 3.17Å; E6-H8 PolarHBondContact O-CD2 3.21Å; E6-H8 VanDerWaalsContact O-CD2 3.27Å; H8-T10 PolarHBondContact O-N 2.81Å |
| 9 | V | 59.2 | Low | 59.6 | Low | 103 Ų | 103 | 147.3 Ų | 147.3 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | | | trans | -72.8 | 79.4 | 163.1 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | K7 Q11 | K7-V9 HydrophobicContact CB-CG2 4.47Å; K7-V9 HydrophobicContact CG-CG2 4.21Å; K7-V9 PolarHBondContact O-N 2.77Å; V9-Q11 VanDerWaalsContact C-N 3.26Å; V9-Q11 HydrophobicContact CG1-CG 3.73Å; V9-Q11 PolarHBondContact O-N 2.69Å |
| 10 | T | 59.6 | Low | 60.3 | Low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | -66.1 | 101.9 | 150.3 | 41.9 | 0 | 0 | 0 | 0 | 104.5 | H8 R12 | H8-T10 PolarHBondContact O-N 2.81Å; T10-R12 PolarHBondContact O-N 3.06Å |
| 11 | Q | 57.4 | Low | 61.1 | Low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | trans | -63.3 | 82.9 | 165.6 | -71.3 | -166.2 | 78 | 0 | 0 | 106.3 | V9 L13 | V9-Q11 VanDerWaalsContact C-N 3.26Å; V9-Q11 HydrophobicContact CG1-CG 3.73Å; V9-Q11 PolarHBondContact O-N 2.69Å; Q11-L13 PolarHBondContact O-N 2.88Å |
| 12 | R | 62.1 | Low | 62.5 | Low | 207 Ų | 207 | 146.4 Ų | 146.4 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -64.6 | 90.9 | 165.5 | -163.3 | -179.7 | -144 | 164.4 | 5.8 | 103.4 | T10 Q14 | T10-R12 PolarHBondContact O-N 3.06Å; R12-Q14 PolarHBondContact O-N 2.79Å |
| 13 | L | 63.4 | Low | 64 | Low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -47.9 | 103.3 | 164 | -68.1 | 170.4 | 0 | 0 | 0 | 103.9 | Q11 P15 | Q11-L13 PolarHBondContact O-N 2.88Å; L13-P15 WeakPolarHBondContact O-CD 3.2Å |
| 14 | Q | 65.7 | Low | 65.3 | Low | 140 Ų | 140 | 147.1 Ų | 147.1 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56 | 117.1 | 175.1 | -69.1 | -75.5 | -46.6 | 0 | 0 | 103.2 | R12 E16 | R12-Q14 PolarHBondContact O-N 2.79Å; Q14-E16 PolarHBondContact O-N 2.9Å |
| 15 | P | 66.1 | Low | 66.7 | Low | 111 Ų | 111 | 147.3 Ų | 147.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122 | 169.9 | -16.7 | 28.3 | 0 | 0 | 0 | 104.8 | L13 R17 | L13-P15 WeakPolarHBondContact O-CD 3.2Å; P15-R17 PolarHBondContact O-N 3.27Å |
| 16 | E | 71.2 | Confident | 68 | Low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 132.5 | 176.7 | -82.7 | -174.5 | 75.7 | 0 | 0 | 107.6 | Q14 G18 | Q14-E16 PolarHBondContact O-N 2.9Å; E16-G18 PolarHBondContact O-N 2.93Å |
| 17 | R | 62.8 | Low | 68.9 | Low | 242 Ų | 242 | 153.5 Ų | 153.5 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -64.2 | 15.2 | -174.1 | -73.2 | -170.4 | -177.9 | 113.2 | -2.8 | 114.1 | P15 S19 | P15-R17 PolarHBondContact O-N 3.27Å; R17-S19 PolarHBondContact O-N 3.35Å |
| 18 | G | 63.6 | Low | 70.1 | Confident | 61 Ų | 61 | 148.8 Ų | 148.8 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | -79.5 | 88.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | E16 | E16-G18 PolarHBondContact O-N 2.93Š|
| 19 | S | 70.5 | Confident | 71.6 | Confident | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -45.7 | 131.4 | 161.5 | -58.3 | 0 | 0 | 0 | 0 | 107.8 | R17 K21 | R17-S19 PolarHBondContact O-N 3.35Å; S19-K21 PolarHBondContact O-N 3.13Å |
| 20 | P | 74.7 | Confident | 72.8 | Confident | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -51.9 | 119.1 | 168.8 | -15.2 | 24.1 | 0 | 0 | 0 | 105.6 | K22 | P20-K22 PolarHBondContact O-N 3.3Š|
| 21 | K | 76.4 | Confident | 74.1 | Confident | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -53.9 | 117.5 | 179.3 | -74.4 | 177.8 | 178.1 | 174.7 | 0 | 105.8 | S19 C23 | S19-K21 PolarHBondContact O-N 3.13Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.28Å |
| 22 | K | 75.9 | Confident | 75.6 | Confident | 206 Ų | 206 | 146.9 Ų | 146.9 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | | | trans | -62.9 | 104.3 | 170.2 | -67.9 | -164.8 | 178.3 | -172.9 | 0 | 105 | P20 E24 | P20-K22 PolarHBondContact O-N 3.3Å; K22-E24 PolarHBondContact O-N 2.89Å |
| 23 | C | 76.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 142.2 Ų | 142.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -64 | 121.8 | 164.7 | -66.3 | 0 | 0 | 0 | 0 | 105.2 | K21 A25 | K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.28Å; C23-A25 PolarHBondContact O-N 2.92Å; C23-A25 VanDerWaalsContact O-N 3.13Å |
| 24 | E | 79.1 | Confident | 77.8 | Confident | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -60.8 | 116 | 166.9 | -107 | 176.3 | 103.3 | 0 | 0 | 106.6 | K22 E26 | K22-E24 PolarHBondContact O-N 2.89Å; E24-E26 PolarHBondContact O-N 2.94Å |
| 25 | A | 81.3 | Confident | 78.8 | Confident | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -73 | 113.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | C23 E27 | C23-A25 PolarHBondContact O-N 2.92Å; C23-A25 VanDerWaalsContact O-N 3.13Å; A25-E27 PolarHBondContact O-N 3.22Å |
| 26 | E | 83.9 | Confident | 79.5 | Confident | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -63.8 | 129.6 | 170.8 | -177.2 | 134.9 | 70.1 | 0 | 0 | 108.9 | E24 A28 | E24-E26 PolarHBondContact O-N 2.94Å; E26-A28 PolarHBondContact O-N 3.44Å |
| 27 | E | 80.8 | Confident | 79.9 | Confident | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -73.3 | 108.6 | 174.4 | -172.2 | 176.7 | 139.5 | 0 | 0 | 108.3 | A25 | A25-E27 PolarHBondContact O-N 3.22Š|
| 28 | A | 84 | Confident | 80.4 | Confident | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E26 | E26-A28 PolarHBondContact O-N 3.44Š|
| 29 | E | 88.7 | Confident | 80.8 | Confident | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.5 | 171.4 | -67.8 | -169.2 | 105.6 | 0 | 0 | 110.7 | | |
| 30 | P | 85.8 | Confident | 80.7 | Confident | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.9 | 173.8 | 27.6 | -33.6 | 0 | 0 | 0 | 110 | A32 | P30-A32 PolarHBondContact O-N 3.42Š|
| 31 | P | 86.7 | Confident | 80.4 | Confident | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139.8 | 173.4 | 26.9 | -33.9 | 0 | 0 | 0 | 109.5 | A33 | P31-A33 PolarHBondContact O-N 3.06Š|
| 32 | A | 89.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 142 Ų | 142 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 133.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P30 T34 | P30-A32 PolarHBondContact O-N 3.42Å; A32-T34 PolarHBondContact O-N 3.35Å |
| 33 | A | 85.1 | Confident | 79.1 | Confident | 110 Ų | 110 | 137.4 Ų | 137.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -67.8 | 106.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P31 | P31-A33 PolarHBondContact O-N 3.06Š|
| 34 | T | 85.3 | Confident | 78.6 | Confident | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 130.8 | 172.2 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | A32 | A32-T34 PolarHBondContact O-N 3.35Š|
| 35 | Q | 87.4 | Confident | 78 | Confident | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 127.5 | 172.9 | -161.5 | -169.5 | 24.6 | 0 | 0 | 109.1 | Q37 | Q35-Q37 PolarHBondContact O-N 3.44Š|
| 36 | P | 79.9 | Confident | 77.1 | Confident | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135.6 | 170.1 | 26.2 | -32 | 0 | 0 | 0 | 108.8 | T38 | P36-T38 PolarHBondContact O-N 3.35Š|
| 37 | Q | 80.9 | Confident | 76 | Confident | 194 Ų | 194 | 131.7 Ų | 131.7 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -62.4 | 104.5 | 174.5 | -124.7 | 179.8 | -79.7 | 0 | 0 | 108.5 | Q35 S39 | Q35-Q37 PolarHBondContact O-N 3.44Å; Q37-S39 PolarHBondContact O-N 3.26Å |
| 38 | T | 71.8 | Confident | 74.9 | Confident | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | -82.5 | 99.5 | 174.1 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | P36 E40 | P36-T38 PolarHBondContact O-N 3.35Å; T38-E40 PolarHBondContact O-N 2.97Å |
| 39 | S | 72.1 | Confident | 73.8 | Confident | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | trans | -64.9 | 116.6 | 161.9 | -63.9 | 0 | 0 | 0 | 0 | 107.7 | Q37 T41 | Q37-S39 PolarHBondContact O-N 3.26Å; S39-T41 PolarHBondContact O-N 3.25Å |
| 40 | E | 68.5 | Low | 72.2 | Confident | 191 Ų | 191 | 128.9 Ų | 128.9 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | | | trans | -67.1 | 99.1 | 173.3 | -141.6 | -175.3 | 112.6 | 0 | 0 | 107.7 | T38 Q42 | T38-E40 PolarHBondContact O-N 2.97Å; E40-Q42 PolarHBondContact O-N 2.94Å |
| 41 | T | 68.5 | Low | 71 | Confident | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -67.5 | 103.6 | 172.7 | -64 | 0 | 0 | 0 | 0 | 107.2 | S39 T43 | S39-T41 PolarHBondContact O-N 3.25Å; T41-T43 PolarHBondContact O-N 3.27Å |
| 42 | Q | 64.1 | Low | 69.7 | Low | 178 Ų | 178 | 132.8 Ų | 132.8 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -59.7 | 101 | 175.4 | -167.8 | 179.9 | 61.9 | 0 | 0 | 108.7 | E40 S44 | E40-Q42 PolarHBondContact O-N 2.94Å; Q42-S44 PolarHBondContact O-N 2.95Å |
| 43 | T | 61.9 | Low | 68.3 | Low | 110 Ų | 110 | 135.8 Ų | 135.8 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | | | trans | -71.8 | 99.2 | 174.1 | 59.4 | 0 | 0 | 0 | 0 | 107.4 | T41 H45 | T41-T43 PolarHBondContact O-N 3.27Å; T43-H45 VanDerWaalsContact O-N 3.14Å; T43-H45 PolarHBondContact O-N 3.42Å |
| 44 | S | 66.6 | Low | 66.8 | Low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | trans | -46 | 120.5 | 171.5 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | Q42 L46 | Q42-S44 PolarHBondContact O-N 2.95Å; S44-L46 PolarHBondContact O-N 3.38Å |
| 45 | H | 65.6 | Low | 65.3 | Low | 178 Ų | 178 | 138.5 Ų | 138.5 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | | | trans | -65.9 | 91.7 | -177.6 | -55.7 | -80.8 | 0 | 0 | 0 | 109.8 | T43 | T43-H45 VanDerWaalsContact O-N 3.14Å; T43-H45 PolarHBondContact O-N 3.42Å |
| 46 | L | 61.4 | Low | 63.5 | Low | 107 Ų | 107 | 136.3 Ų | 136.3 | 56% | 0.56 | 73% | 0.727 | S | S | * | * | | | trans | -66.2 | 139.3 | 166.7 | -91.8 | 102.5 | 0 | 0 | 0 | 109.3 | S44 E50 | S44-L46 PolarHBondContact O-N 3.38Å; L46-E50 WeakPolarHBondContact CD2-OE1 3.46Å |
| 47 | P | 62.6 | Low | 62.1 | Low | 98 Ų | 98 | 139.9 Ų | 139.9 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | -62.1 | 143.5 | 177.8 | 25.6 | -32 | 0 | 0 | 0 | 110 | S49 E50 | P47-S49 PolarHBondContact O-N 3.47Å; P47-E50 PolarHBondContact O-N 3.01Å |
| 48 | E | 57.1 | Low | 60.8 | Low | 146 Ų | 146 | 139.3 Ų | 139.3 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -54.8 | -12.3 | -168.6 | -140.6 | 179.6 | 115.4 | 0 | 0 | 116 | R51 | E48-R51 IonicContact OE1-CZ 3.89Å; E48-R51 IonicContact OE1-NH2 2.76Å; E48-R51 PolarHBondContact OE1-NH2 3Å; E48-R51 IonicContact OE2-NH2 3.9Å |
| 49 | S | 59.9 | Low | 60 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -74.9 | -16.1 | -176.5 | -166.3 | 0 | 0 | 0 | 0 | 115.1 | P47 | P47-S49 PolarHBondContact O-N 3.47Š|
| 50 | E | 55.2 | Low | 59.1 | Low | 133 Ų | 133 | 137.8 Ų | 137.8 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -92.4 | 2.2 | -179.2 | -149.8 | 171.5 | 102.3 | 0 | 0 | 113.2 | L46 P47 I52 | L46-E50 WeakPolarHBondContact CD2-OE1 3.46Å; P47-E50 PolarHBondContact O-N 3.01Å; E50-I52 PolarHBondContact O-N 2.89Å |
| 51 | R | 61.2 | Low | 58.3 | Low | 172 Ų | 172 | 137.5 Ų | 137.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -79 | -9.4 | -174.1 | -65.4 | -167.1 | -64.2 | 172.1 | 3.6 | 115.6 | E48 H53 | E48-R51 IonicContact OE1-CZ 3.89Å; E48-R51 IonicContact OE1-NH2 2.76Å; E48-R51 PolarHBondContact OE1-NH2 3Å; E48-R51 IonicContact OE2-NH2 3.9Å; R51-H53 PolarHBondContact O-N 2.93Å |
| 52 | I | 60.5 | Low | 57.7 | Low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -98.2 | 27.8 | -170.1 | -46.5 | 165.2 | 0 | 0 | 0 | 113.1 | E50 | E50-I52 PolarHBondContact O-N 2.89Š|
| 53 | H | 58.1 | Low | 57.3 | Low | 154 Ų | 154 | 136.4 Ų | 136.4 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -136.8 | 10.2 | 178.2 | -71.2 | -74.2 | 0 | 0 | 0 | 116.8 | R51 | R51-H53 PolarHBondContact O-N 2.93Š|
| 54 | H | 54.8 | Low | 57.2 | Low | 164 Ų | 164 | 135.2 Ų | 135.2 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -130.7 | 25.7 | -178 | -64 | -62.9 | 0 | 0 | 0 | 115.8 | V56 | H54-V56 PolarHBondContact O-N 3.42Š|
| 55 | T | 52.6 | Low | 56.9 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | trans | -88.7 | 45.7 | 159.5 | -40.4 | 0 | 0 | 0 | 0 | 110.9 | F57 | T55-F57 PolarHBondContact O-N 3.32Š|
| 56 | V | 51.2 | Low | 56.6 | Low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | -88.6 | 76.6 | 147.7 | -174.2 | 0 | 0 | 0 | 0 | 104.6 | H54 F58 | H54-V56 PolarHBondContact O-N 3.42Å; V56-F58 PolarHBondContact O-N 2.95Å; V56-F58 VanDerWaalsContact O-N 3.11Å |
| 57 | F | 49 | Very low | 56.8 | Low | 174 Ų | 174 | 129.6 Ų | 129.6 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | | | trans | -46 | 116.2 | 173.5 | -171.7 | -96.5 | 0 | 0 | 0 | 107.6 | T55 S59 | T55-F57 PolarHBondContact O-N 3.32Å; F57-S59 PolarHBondContact O-N 3.03Å |
| 58 | F | 54.8 | Low | 57.1 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.803 | 73% | 0.733 | S | S | * | * | | | trans | -47.7 | 106.1 | 173.1 | -82.5 | -96.1 | 0 | 0 | 0 | 108.5 | V56 G60 | V56-F58 PolarHBondContact O-N 2.95Å; V56-F58 VanDerWaalsContact O-N 3.11Å; F58-G60 PolarHBondContact O-N 2.81Å |
| 59 | S | 55.3 | Low | 57.8 | Low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 109.8 | 163.7 | -69 | 0 | 0 | 0 | 0 | 107.9 | F57 | F57-S59 PolarHBondContact O-N 3.03Š|
| 60 | G | 53.3 | Low | 58.5 | Low | 60 Ų | 60 | 139.7 Ų | 139.7 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.8 | 19.8 | 141 | 0 | 0 | 0 | 0 | 0 | 119.7 | F58 S62 | F58-G60 PolarHBondContact O-N 2.81Å; G60-S62 VanDerWaalsContact C-N 3.3Å; G60-S62 PolarHBondContact O-N 3.3Å |
| 61 | H | 51.3 | Low | 59.6 | Low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -88.2 | 82.1 | 157.2 | -73.3 | 130.4 | 0 | 0 | 0 | 109.5 | H63 | H61-H63 PolarHBondContact O-N 3.24Š|
| 62 | S | 55.5 | Low | 60.5 | Low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -51.4 | 102.4 | 158.2 | 33.5 | 0 | 0 | 0 | 0 | 108.6 | G60 A64 | G60-S62 VanDerWaalsContact C-N 3.3Å; G60-S62 PolarHBondContact O-N 3.3Å; S62-A64 PolarHBondContact O-N 3.14Å |
| 63 | H | 54.9 | Low | 61.4 | Low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -69.4 | 79 | 167.5 | -171.5 | -98 | 0 | 0 | 0 | 107.8 | H61 S65 | H61-H63 PolarHBondContact O-N 3.24Å; H63-S65 PolarHBondContact O-N 2.86Å |
| 64 | A | 60.5 | Low | 62.3 | Low | 85 Ų | 85 | 134.5 Ų | 134.5 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -67.2 | 100.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | S62 P66 | S62-A64 PolarHBondContact O-N 3.14Å; A64-P66 WeakPolarHBondContact O-CD 3.22Å; A64-P66 VanDerWaalsContact O-N 3.07Å |
| 65 | S | 59.5 | Low | 63.7 | Low | 69 Ų | 69 | 135.2 Ų | 135.2 | 48% | 0.483 | 77% | 0.765 | S | S | . | * | | | trans | -54.2 | 115.1 | 173.3 | -76.3 | 0 | 0 | 0 | 0 | 108.9 | H63 G67 | H63-S65 PolarHBondContact O-N 2.86Å; S65-G67 VanDerWaalsContact C-N 3.35Å; S65-G67 PolarHBondContact O-N 3.11Å |
| 66 | P | 59.3 | Low | 65.2 | Low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 96.6 | 173.3 | 13 | -2.6 | 0 | 0 | 0 | 106.8 | A64 | A64-P66 WeakPolarHBondContact O-CD 3.22Å; A64-P66 VanDerWaalsContact O-N 3.07Å |
| 67 | G | 65.8 | Low | 66.7 | Low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.9 | -11 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | S65 | S65-G67 VanDerWaalsContact C-N 3.35Å; S65-G67 PolarHBondContact O-N 3.11Å |
| 68 | H | 69.5 | Low | 68.5 | Low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -117.1 | 72.6 | -178.8 | -61.2 | 95.2 | 0 | 0 | 0 | 111.3 | K70 | H68-K70 PolarHBondContact O-N 2.85Š|
| 69 | M | 71.3 | Confident | 69.9 | Low | 188 Ų | 188 | 130.5 Ų | 130.5 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | | | trans | -85.6 | 99.4 | 162.3 | -54.6 | -157.7 | -33.6 | 0 | 0 | 108.2 | L71 | M69-L71 PolarHBondContact O-N 3Š|
| 70 | K | 75.3 | Confident | 71 | Confident | 204 Ų | 204 | 129.8 Ų | 129.8 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | | | trans | -78.4 | 108.9 | 170.1 | -172.9 | 159.9 | -179.7 | 173 | 0 | 107.8 | H68 G72 | H68-K70 PolarHBondContact O-N 2.85Å; K70-G72 PolarHBondContact O-N 3.36Å |
| 71 | L | 77.4 | Confident | 72.4 | Confident | 168 Ų | 168 | 135.4 Ų | 135.4 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | | | trans | -65.6 | 100.5 | 172.7 | -172.5 | 64.8 | 0 | 0 | 0 | 108 | M69 | M69-L71 PolarHBondContact O-N 3Š|
| 72 | G | 80 | Confident | 73.6 | Confident | 51 Ų | 51 | 138.5 Ų | 138.5 | 53% | 0.526 | 78% | 0.778 | S | S | . | * | | | trans | -68.7 | 130.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K70 I74 | K70-G72 PolarHBondContact O-N 3.36Å; G72-I74 PolarHBondContact O-N 2.79Å |
| 73 | V | 80.3 | Confident | 74.5 | Confident | 142 Ų | 142 | 139.9 Ų | 139.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 116.4 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | E75 | V73-E75 PolarHBondContact O-N 3.47Š|
| 74 | I | 77.8 | Confident | 75.5 | Confident | 130 Ų | 130 | 138.6 Ų | 138.6 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | | | trans | -81.1 | 103.5 | 173.2 | -58 | 173.4 | 0 | 0 | 0 | 106.4 | G72 F76 | G72-I74 PolarHBondContact O-N 2.79Å; I74-F76 HydrophobicContact CB-CE2 4.32Å; I74-F76 PolarHBondContact O-N 3.42Å; I74-F76 HydrophobicContact CG2-CZ 3.93Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CE1 4.36Å; I74-F76 HydrophobicContact CG2-CD2 4.24Å |
| 75 | E | 83.6 | Confident | 76.3 | Confident | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 113.6 | 171.4 | -153.2 | -171.9 | 128.3 | 0 | 0 | 108.2 | V73 | V73-E75 PolarHBondContact O-N 3.47Š|
| 76 | F | 82.8 | Confident | 77.3 | Confident | 164 Ų | 164 | 145.9 Ų | 145.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 128.5 | 174.6 | -73.4 | -86 | 0 | 0 | 0 | 109.2 | I74 V78 | I74-F76 HydrophobicContact CB-CE2 4.32Å; I74-F76 PolarHBondContact O-N 3.42Å; I74-F76 HydrophobicContact CG2-CZ 3.93Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CE1 4.36Å; I74-F76 HydrophobicContact CG2-CD2 4.24Å; F76-V78 PolarHBondContact O-N 3.3Å |
| 77 | P | 84.5 | Confident | 78.4 | Confident | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 130.6 | 176.7 | 25.6 | -32.2 | 0 | 0 | 0 | 110.2 | P79 | P77-P79 WeakPolarHBondContact O-CD 3.43Š|
| 78 | V | 86.2 | Confident | 79.3 | Confident | 135 Ų | 135 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | F76 | F76-V78 PolarHBondContact O-N 3.3Š|
| 79 | P | 82.9 | Confident | 80 | Confident | 100 Ų | 100 | 151 Ų | 151 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 145.2 | 177.1 | 27.5 | -33.1 | 0 | 0 | 0 | 110.3 | P77 L81 | P77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-L81 PolarHBondContact O-N 2.76Å |
| 80 | P | 80.3 | Confident | 80.7 | Confident | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 137 | 177.5 | 26.3 | -33 | 0 | 0 | 0 | 110.5 | Q82 | P80-Q82 PolarHBondContact O-N 3.31Š|
| 81 | L | 82.8 | Confident | 81.1 | Confident | 178 Ų | 178 | 143.5 Ų | 143.5 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 119.7 | 168.3 | -64.9 | 172.3 | 0 | 0 | 0 | 107.6 | P79 | P79-L81 PolarHBondContact O-N 2.76Š|
| 82 | Q | 74.8 | Confident | 81.4 | Confident | 249 Ų | 249 | 141.3 Ų | 141.3 | 100% | 1.164 | 79% | 0.785 | S | S | * | * | | | trans | -77.4 | 0 | 173.5 | -65.6 | -78.3 | 66.2 | 0 | 0 | 110.8 | P80 | P80-Q82 PolarHBondContact O-N 3.31Š|