| 1 | M | 37.1 | Very low | 49 | Very low | 254 Ų | 254 | 146.5 Ų | 146.5 | 100% | 1.251 | 82% | 0.824 | S | S | * | * | | | | 0 | 125.8 | 0 | -64.1 | -163.6 | -176.7 | 0 | 0 | 107.5 | | |
| 2 | A | 48.8 | Very low | 49.9 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -105.9 | 136.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | T | 46.8 | Very low | 49.8 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | | | trans | -167.8 | 91.7 | 148.8 | -58.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 4 | A | 48.6 | Very low | 50.1 | Low | 95 Ų | 95 | 153.9 Ų | 153.9 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | | 82.3 | 117.8 | 91.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 5 | L | 51 | Low | 50.1 | Low | 171 Ų | 171 | 152.1 Ų | 152.1 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -58.2 | 134.6 | 172.3 | -64.1 | 152.7 | 0 | 0 | 0 | 110 | | |
| 6 | D | 47.9 | Very low | 49.6 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -150.6 | 99.6 | 152.8 | -165 | -104.3 | 0 | 0 | 0 | 110.1 | D8 | D6-D8 PolarHBondContact O-N 3.41Å; D6-D8 WeakPolarHBondContact OD1-CB 3.36Å; D6-D8 PolarHBondContact OD1-N 2.94Å |
| 7 | P | 51.5 | Low | 49.8 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -89.5 | 75.6 | 166.4 | 34.1 | -27.2 | 0 | 0 | 0 | 108.8 | Q9 | P7-Q9 VanDerWaalsContact C-N 3.34Å; P7-Q9 PolarHBondContact O-N 3.48Å |
| 8 | D | 51.3 | Low | 49.5 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | -70.3 | 92.3 | 170.1 | -168.4 | -103.7 | 0 | 0 | 0 | 109.8 | D6 | D6-D8 PolarHBondContact O-N 3.41Å; D6-D8 WeakPolarHBondContact OD1-CB 3.36Å; D6-D8 PolarHBondContact OD1-N 2.94Å |
| 9 | Q | 57.8 | Low | 49.4 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -89.2 | 133.8 | 141.1 | -61.4 | -153.3 | -6.9 | 0 | 0 | 105.9 | P7 | P7-Q9 VanDerWaalsContact C-N 3.34Å; P7-Q9 PolarHBondContact O-N 3.48Å |
| 10 | P | 52.1 | Low | 49.4 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 58% | 0.584 | 79% | 0.792 | S | S | * | * | | | | -159.7 | 119.4 | 73.2 | 36.1 | -13.2 | 0 | 0 | 0 | 114.3 | | |
| 11 | K | 46 | Very low | 49.4 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | | | trans | -123.5 | 89.6 | 147.8 | -88.3 | 178.7 | 179.8 | 168.6 | 0 | 109.3 | Q13 | K11-Q13 PolarHBondContact O-N 3.04Š|
| 12 | K | 59.3 | Low | 50 | Low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -42.5 | 87.7 | 153.4 | -76 | 167.9 | 171.7 | 165.5 | 0 | 108.9 | K14 | K12-K14 PolarHBondContact O-N 2.75Š|
| 13 | Q | 49.1 | Very low | 49.9 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -75.8 | 76.3 | 142.5 | -109.8 | -179.8 | -28.5 | 0 | 0 | 105.5 | K11 I15 | K11-Q13 PolarHBondContact O-N 3.04Å; Q13-I15 HydrophobicContact CB-CG1 4.46Å; Q13-I15 PolarHBondContact O-N 2.88Å |
| 14 | K | 53.9 | Low | 50.3 | Low | 182 Ų | 182 | 143.7 Ų | 143.7 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | -61.4 | 89.8 | 144.7 | -104.7 | 178.8 | 167.8 | -175.3 | 0 | 103.1 | K12 L16 | K12-K14 PolarHBondContact O-N 2.75Å; K14-L16 PolarHBondContact O-N 2.82Å |
| 15 | I | 50.8 | Low | 50.4 | Low | 127 Ų | 127 | 142 Ų | 142 | 65% | 0.651 | 74% | 0.737 | S | S | * | * | | | trans | -62.7 | 91.5 | 153.7 | -62.8 | 164.3 | 0 | 0 | 0 | 102 | Q13 V17 | Q13-I15 HydrophobicContact CB-CG1 4.46Å; Q13-I15 PolarHBondContact O-N 2.88Å; I15-V17 HydrophobicContact CG2-CG2 4.31Å; I15-V17 PolarHBondContact O-N 2.83Å |
| 16 | L | 41.5 | Very low | 50 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | -61.1 | 90.7 | 154.7 | -167.9 | 88.1 | 0 | 0 | 0 | 102.3 | K14 E18 | K14-L16 PolarHBondContact O-N 2.82Å; L16-E18 PolarHBondContact O-N 2.84Å |
| 17 | V | 52.4 | Low | 50.2 | Low | 115 Ų | 115 | 141.2 Ų | 141.2 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | trans | -56.5 | 94.5 | 147.7 | 135.3 | 0 | 0 | 0 | 0 | 101.7 | I15 E19 | I15-V17 HydrophobicContact CG2-CG2 4.31Å; I15-V17 PolarHBondContact O-N 2.83Å; V17-E19 PolarHBondContact O-N 2.84Å |
| 18 | E | 45.3 | Very low | 50 | Low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | -56.2 | 96.3 | 152.8 | -171.9 | 168.5 | 92 | 0 | 0 | 102.3 | L16 M20 | L16-E18 PolarHBondContact O-N 2.84Å; E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.32Å |
| 19 | E | 47.4 | Very low | 49.8 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -41.9 | 106.1 | 162.6 | 177.8 | -177 | 100.1 | 0 | 0 | 104.1 | V17 A21 | V17-E19 PolarHBondContact O-N 2.84Å; E19-A21 PolarHBondContact O-N 2.84Å |
| 20 | M | 48.7 | Very low | 49.2 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -63.8 | 85.9 | 170.3 | -78.1 | -150.3 | -162.9 | 0 | 0 | 105 | E18 L23 | E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.32Å; M20-L23 HydrophobicContact SD-CD1 4.37Å |
| 21 | A | 49.8 | Very low | 48.7 | Very low | 58 Ų | 58 | 147.2 Ų | 147.2 | 48% | 0.479 | 75% | 0.746 | S | S | . | * | | | trans | -43.1 | 133 | 158 | 0 | 0 | 0 | 0 | 0 | 105.3 | E19 L23 | E19-A21 PolarHBondContact O-N 2.84Å; A21-L23 PolarHBondContact O-N 2.73Å |
| 22 | P | 48.9 | Very low | 48.2 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | trans | -50.6 | 120.9 | -174 | 20.5 | -30.8 | 0 | 0 | 0 | 106.4 | K24 | P22-K24 HydrophobicContact CB-CG 4.49Å; P22-K24 PolarHBondContact O-N 3.31Å |
| 23 | L | 48.4 | Very low | 47.6 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | -62.5 | 70.2 | 179.3 | -75.4 | 165.3 | 0 | 0 | 0 | 108.6 | M20 A21 G25 | M20-L23 HydrophobicContact SD-CD1 4.37Å; A21-L23 PolarHBondContact O-N 2.73Å; L23-G25 PolarHBondContact O-N 3.04Å |
| 24 | K | 54.2 | Low | 47 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 73.6 | 163.8 | -69.3 | -174.1 | 177 | -175.4 | 0 | 104.9 | P22 | P22-K24 HydrophobicContact CB-CG 4.49Å; P22-K24 PolarHBondContact O-N 3.31Å |
| 25 | G | 51.8 | Low | 46.4 | Very low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179 | 5.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | L23 | L23-G25 PolarHBondContact O-N 3.04Š|
| 26 | V | 42 | Very low | 45.8 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -116.9 | 22.8 | 174 | 91.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 27 | Q | 51.4 | Low | 45.8 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -87.8 | -15.9 | 169.9 | -82.9 | -172.2 | 46.2 | 0 | 0 | 113.4 | | |
| 28 | E | 48.3 | Very low | 45.2 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -94.9 | -13.7 | -168.7 | -71.6 | -177.8 | 82.8 | 0 | 0 | 115.5 | | |
| 29 | Q | 46.3 | Very low | 45.1 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -90.3 | -7.5 | 175 | -157.1 | 171.4 | -95.1 | 0 | 0 | 113.9 | V31 | Q29-V31 VanDerWaalsContact C-N 3.27Š|
| 30 | Q | 44.7 | Very low | 45.1 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -85.8 | -1.8 | 169.9 | -128.2 | 172.7 | 17.9 | 0 | 0 | 112.7 | R32 | Q30-R32 PolarHBondContact O-N 3.28Š|
| 31 | V | 42.6 | Very low | 44.5 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -86.4 | 15.8 | 171.9 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | Q29 | Q29-V31 VanDerWaalsContact C-N 3.27Š|
| 32 | R | 35.8 | Very low | 44.6 | Very low | 222 Ų | 222 | 146.8 Ų | 146.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -121.6 | 27.9 | 166.5 | -82.4 | -166.6 | 175.6 | -170.4 | 0 | 113.1 | Q30 E34 | Q30-R32 PolarHBondContact O-N 3.28Å; R32-E34 PolarHBondContact O-N 3.23Å |
| 33 | H | 46.2 | Very low | 44.2 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | -77.5 | 55.4 | 156.3 | -146 | -128.8 | 0 | 0 | 0 | 109.1 | C35 | H33-C35 PolarHBondContact O-N 3.42Š|
| 34 | E | 37.4 | Very low | 44.1 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -77 | 57.2 | 163.6 | -150.5 | -178.3 | 112 | 0 | 0 | 106.8 | R32 | R32-E34 PolarHBondContact O-N 3.23Š|
| 35 | C | 40.1 | Very low | 43.5 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | | | trans | -102.5 | 115.2 | 153.9 | -79.6 | 0 | 0 | 0 | 0 | 103.2 | H33 V37 | H33-C35 PolarHBondContact O-N 3.42Å; C35-V37 HydrophobicContact CB-CG2 4.2Å; C35-V37 PolarHBondContact O-N 3.38Å |
| 36 | E | 39.3 | Very low | 43 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | | | trans | -59.9 | 73.3 | 163.5 | -167.7 | 174.4 | 94.5 | 0 | 0 | 107.7 | T38 | E36-T38 VanDerWaalsContact C-N 3.31Å; E36-T38 PolarHBondContact O-N 3.38Å |
| 37 | V | 41.5 | Very low | 43.1 | Very low | 100 Ų | 100 | 153 Ų | 153 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 101.7 | 164.1 | 177 | 0 | 0 | 0 | 0 | 102.6 | C35 K39 | C35-V37 HydrophobicContact CB-CG2 4.2Å; C35-V37 PolarHBondContact O-N 3.38Å; V37-K39 VanDerWaalsContact C-N 3.33Å; V37-K39 PolarHBondContact O-N 2.99Å |
| 38 | T | 38.5 | Very low | 42.7 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | -47.3 | 106.9 | 168.6 | -44.6 | 0 | 0 | 0 | 0 | 106.6 | E36 P40 | E36-T38 VanDerWaalsContact C-N 3.31Å; E36-T38 PolarHBondContact O-N 3.38Å; T38-P40 VanDerWaalsContact O-CD 3.26Å; T38-P40 WeakPolarHBondContact O-CD 3.37Å |
| 39 | K | 44.6 | Very low | 42.5 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | | | trans | -50.1 | 113.5 | 176.7 | -179.9 | 179.3 | 179.6 | -177.9 | 0 | 106.3 | V37 E41 | V37-K39 VanDerWaalsContact C-N 3.33Å; V37-K39 PolarHBondContact O-N 2.99Å; K39-E41 PolarHBondContact O-N 3.09Å; K39-E41 VanDerWaalsContact O-N 3.12Å |
| 40 | P | 47.4 | Very low | 42.6 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | | | trans | -59.9 | 127.1 | 167.9 | 25.7 | -29.9 | 0 | 0 | 0 | 105.1 | T38 K42 W58 | T38-P40 VanDerWaalsContact O-CD 3.26Å; T38-P40 WeakPolarHBondContact O-CD 3.37Å; P40-K42 PolarHBondContact O-N 2.92Å; P40-W58 HydrophobicContact CG-CH2 4.49Å |
| 41 | E | 35.9 | Very low | 42.7 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | -45.1 | 128.2 | -174.3 | -159.7 | 167.2 | 97.3 | 0 | 0 | 108.7 | K39 E43 | K39-E41 PolarHBondContact O-N 3.09Å; K39-E41 VanDerWaalsContact O-N 3.12Å; E41-E43 PolarHBondContact O-N 2.65Å |
| 42 | K | 50.8 | Low | 42.9 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -68.3 | 77.2 | 179.7 | -177.6 | 177.2 | 176.5 | 168.9 | 0 | 107.5 | P40 | P40-K42 PolarHBondContact O-N 2.92Š|
| 43 | E | 40.8 | Very low | 43.5 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | | | trans | -63.8 | 134.6 | 166.8 | -171.4 | 158.2 | 74.7 | 0 | 0 | 107 | E41 A45 | E41-E43 PolarHBondContact O-N 2.65Å; E43-A45 PolarHBondContact O-N 2.84Å; E43-A45 VanDerWaalsContact O-N 3.1Å |
| 44 | K | 46.9 | Very low | 43.6 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | trans | -60.3 | 119.5 | -166.5 | -62.3 | -133.1 | -179.2 | -178.3 | 0 | 108.9 | S46 | K44-S46 VanDerWaalsContact C-N 3.3Å; K44-S46 PolarHBondContact O-N 3.39Å |
| 45 | A | 41.2 | Very low | 44.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | | | trans | -57 | 98.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | E43 D47 | E43-A45 PolarHBondContact O-N 2.84Å; E43-A45 VanDerWaalsContact O-N 3.1Å; A45-D47 PolarHBondContact O-N 3.46Å |
| 46 | S | 42.1 | Very low | 44.8 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | trans | -67.3 | 120.1 | 157.1 | -65.7 | 0 | 0 | 0 | 0 | 105.9 | K44 D48 | K44-S46 VanDerWaalsContact C-N 3.3Å; K44-S46 PolarHBondContact O-N 3.39Å; S46-D48 PolarHBondContact O-N 2.87Å |
| 47 | D | 42.4 | Very low | 45.5 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 91% | 0.914 | 68% | 0.682 | S | S | * | * | | | trans | -68.1 | 79 | 171.8 | -171.6 | -109.1 | 0 | 0 | 0 | 107.7 | A45 | A45-D47 PolarHBondContact O-N 3.46Š|
| 48 | D | 42.8 | Very low | 45.8 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 51% | 0.508 | 68% | 0.679 | S | S | . | * | | | trans | -108.9 | 123.1 | 170.9 | -160.1 | -78.7 | 0 | 0 | 0 | 108.4 | S46 E50 D51 | S46-D48 PolarHBondContact O-N 2.87Å; D48-E50 PolarHBondContact O-N 3.4Å; D48-D51 WeakPolarHBondContact O-CB 3.17Å; D48-D51 PolarHBondContact O-N 2.94Å; D48-D51 VanDerWaalsContact O-N 3.09Å |
| 49 | P | 45 | Very low | 46.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -68.3 | -1.8 | -168.4 | 26.2 | -34.2 | 0 | 0 | 0 | 115 | D51 | P49-D51 VanDerWaalsContact C-N 3.28Š|
| 50 | E | 48.4 | Very low | 47 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -79.3 | -6.3 | 170.1 | -59.5 | -150.8 | 93.5 | 0 | 0 | 113.6 | D48 R52 | D48-E50 PolarHBondContact O-N 3.4Å; E50-R52 VanDerWaalsContact C-N 3.35Å; E50-R52 PolarHBondContact O-N 3.4Å |
| 51 | D | 46.1 | Very low | 47.4 | Very low | 94 Ų | 94 | 129 Ų | 129 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -81.7 | -0.4 | -177.1 | -165.8 | -103.8 | 0 | 0 | 0 | 114.9 | D48 P49 H53 L54 P55 | D48-D51 WeakPolarHBondContact O-CB 3.17Å; D48-D51 PolarHBondContact O-N 2.94Å; D48-D51 VanDerWaalsContact O-N 3.09Å; P49-D51 VanDerWaalsContact C-N 3.28Å; D51-H53 PolarHBondContact O-N 3.15Å; D51-L54 HydrophobicContact CB-CD1 4.48Å; D51-L54 PolarHBondContact O-N 2.89Å; D51-L54 WeakPolarHBondContact OD2-CD1 3.36Å; D51-P55 WeakPolarHBondContact O-CD 3.36Å |
| 52 | R | 46.7 | Very low | 48.3 | Very low | 226 Ų | 226 | 124.4 Ų | 124.4 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -73.1 | -10.1 | 178.8 | -87.4 | -171.5 | 177.1 | -175.7 | 1.3 | 115.1 | E50 | E50-R52 VanDerWaalsContact C-N 3.35Å; E50-R52 PolarHBondContact O-N 3.4Å |
| 53 | H | 48.8 | Very low | 48.7 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -97.9 | -12.3 | 178 | -151.9 | -95.1 | 0 | 0 | 0 | 113.6 | D51 | D51-H53 PolarHBondContact O-N 3.15Š|
| 54 | L | 49.5 | Very low | 49.5 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.6 | -32.8 | 176.4 | -78.3 | 155.5 | 0 | 0 | 0 | 115.5 | D51 L56 C57 W58 | D51-L54 HydrophobicContact CB-CD1 4.48Å; D51-L54 PolarHBondContact O-N 2.89Å; D51-L54 WeakPolarHBondContact OD2-CD1 3.36Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 3.42Å; L54-C57 PolarHBondContact O-N 3.17Å; L54-W58 PolarHBondContact O-N 3.01Å |
| 55 | P | 52.5 | Low | 50 | Low | 56 Ų | 56 | 117.5 Ų | 117.5 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -36 | -179 | 22.4 | -32.3 | 0 | 0 | 0 | 112.2 | D51 W58 F59 | D51-P55 WeakPolarHBondContact O-CD 3.36Å; P55-W58 PolarHBondContact O-N 2.97Å; P55-F59 WeakPolarHBondContact O-CD2 3.25Å; P55-F59 PolarHBondContact O-N 3.3Å |
| 56 | L | 50.5 | Low | 50.9 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.3 | -35.4 | 178.9 | -65.5 | 176.8 | 0 | 0 | 0 | 112.3 | L54 S60 | L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 3.42Å; L56-S60 WeakPolarHBondContact O-CB 3.48Å; L56-S60 PolarHBondContact O-N 3.43Å; L56-S60 PolarHBondContact O-OG 2.95Å |
| 57 | C | 52 | Low | 51.5 | Low | 59 Ų | 59 | 115.8 Ų | 115.8 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -42.4 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | L54 S60 I61 | L54-C57 PolarHBondContact O-N 3.17Å; C57-S60 PolarHBondContact O-N 3.44Å; C57-I61 WeakPolarHBondContact O-CD1 3.24Å; C57-I61 VanDerWaalsContact O-CG1 3.24Å; C57-I61 WeakPolarHBondContact O-CG1 3.38Å; C57-I61 PolarHBondContact O-N 2.89Å |
| 58 | W | 49.7 | Very low | 52.1 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -48.8 | 175.5 | 179.5 | -89.4 | 0 | 0 | 0 | 112.2 | P40 L54 P55 S60 I61 E62 | P40-W58 HydrophobicContact CG-CH2 4.49Å; L54-W58 PolarHBondContact O-N 3.01Å; P55-W58 PolarHBondContact O-N 2.97Å; W58-S60 VanDerWaalsContact C-N 3.26Å; W58-S60 PolarHBondContact O-N 2.76Å; W58-I61 PolarHBondContact O-N 3.02Å; W58-I61 VanDerWaalsContact O-N 3.17Å; W58-E62 PolarHBondContact NE1-OE2 2.9Å; W58-E62 PolarHBondContact O-N 2.95Å |
| 59 | F | 52.4 | Low | 52.6 | Low | 133 Ų | 133 | 109.8 Ų | 109.8 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.7 | -37.2 | 175.4 | -80.7 | -64.9 | 0 | 0 | 0 | 112.3 | P55 M63 | P55-F59 WeakPolarHBondContact O-CD2 3.25Å; P55-F59 PolarHBondContact O-N 3.3Å; F59-M63 WeakPolarHBondContact O-CB 3.18Å; F59-M63 PolarHBondContact O-N 3.26Å |
| 60 | S | 54.6 | Low | 52.8 | Low | 79 Ų | 79 | 112.5 Ų | 112.5 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | L56 C57 W58 M64 | L56-S60 WeakPolarHBondContact O-CB 3.48Å; L56-S60 PolarHBondContact O-N 3.43Å; L56-S60 PolarHBondContact O-OG 2.95Å; C57-S60 PolarHBondContact O-N 3.44Å; W58-S60 VanDerWaalsContact C-N 3.26Å; W58-S60 PolarHBondContact O-N 2.76Å; S60-M64 WeakPolarHBondContact O-CB 3.39Å; S60-M64 PolarHBondContact O-N 2.94Å |
| 61 | I | 57 | Low | 52.7 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -47.3 | 176.8 | -65.7 | 159.5 | 0 | 0 | 0 | 109.8 | C57 W58 M63 M64 Y65 | C57-I61 WeakPolarHBondContact O-CD1 3.24Å; C57-I61 VanDerWaalsContact O-CG1 3.24Å; C57-I61 WeakPolarHBondContact O-CG1 3.38Å; C57-I61 PolarHBondContact O-N 2.89Å; W58-I61 PolarHBondContact O-N 3.02Å; W58-I61 VanDerWaalsContact O-N 3.17Å; I61-M63 PolarHBondContact O-N 3.39Å; I61-M64 PolarHBondContact O-N 2.94Å; I61-M64 VanDerWaalsContact O-N 3.15Å; I61-Y65 HydrophobicContact CG2-CD2 3.71Å; I61-Y65 HydrophobicContact CG2-CE2 3.79Å; I61-Y65 WeakPolarHBondContact O-CD2 3.43Å; I61-Y65 PolarHBondContact O-N 2.84Å |
| 62 | E | 54.9 | Low | 52.3 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.8 | -114.4 | -178.1 | 71.3 | 0 | 0 | 111.8 | W58 M64 Y65 I66 | W58-E62 PolarHBondContact NE1-OE2 2.9Å; W58-E62 PolarHBondContact O-N 2.95Å; E62-M64 VanDerWaalsContact C-N 3.34Å; E62-M64 PolarHBondContact O-N 3.19Å; E62-Y65 PolarHBondContact O-N 3.5Å; E62-I66 WeakPolarHBondContact O-CB 3.32Å; E62-I66 WeakPolarHBondContact O-CD1 3.39Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 2.59Å |
| 63 | M | 58.7 | Low | 52 | Low | 116 Ų | 116 | 100 Ų | 100 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -38.8 | 176.3 | -120 | -115.3 | 146.8 | 0 | 0 | 112 | F59 I61 I66 N67 | F59-M63 WeakPolarHBondContact O-CB 3.18Å; F59-M63 PolarHBondContact O-N 3.26Å; I61-M63 PolarHBondContact O-N 3.39Å; M63-I66 PolarHBondContact O-N 3.41Å; M63-N67 WeakPolarHBondContact O-CB 3.47Å; M63-N67 PolarHBondContact O-N 3.11Å; M63-N67 PolarHBondContact O-ND2 3.32Å |
| 64 | M | 57 | Low | 51.6 | Low | 126 Ų | 126 | 98.8 Ų | 98.8 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 176.2 | -169.4 | 171.2 | 84 | 0 | 0 | 111.6 | S60 I61 E62 N67 L68 | S60-M64 WeakPolarHBondContact O-CB 3.39Å; S60-M64 PolarHBondContact O-N 2.94Å; I61-M64 PolarHBondContact O-N 2.94Å; I61-M64 VanDerWaalsContact O-N 3.15Å; E62-M64 VanDerWaalsContact C-N 3.34Å; E62-M64 PolarHBondContact O-N 3.19Å; M64-N67 PolarHBondContact O-N 3.04Å; M64-L68 VanDerWaalsContact O-CB 3.25Å; M64-L68 WeakPolarHBondContact O-CB 3.02Å; M64-L68 PolarHBondContact O-N 3.13Å |
| 65 | Y | 58.3 | Low | 50.9 | Low | 157 Ų | 157 | 104.7 Ų | 104.7 | 62% | 0.616 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | 176.2 | -90.3 | -88.4 | 0 | 0 | 0 | 112.5 | I61 E62 L68 G69 | I61-Y65 HydrophobicContact CG2-CD2 3.71Å; I61-Y65 HydrophobicContact CG2-CE2 3.79Å; I61-Y65 WeakPolarHBondContact O-CD2 3.43Å; I61-Y65 PolarHBondContact O-N 2.84Å; E62-Y65 PolarHBondContact O-N 3.5Å; Y65-L68 PolarHBondContact O-N 3.3Å; Y65-G69 PolarHBondContact O-N 3.2Å |
| 66 | I | 59.9 | Low | 50.1 | Low | 88 Ų | 88 | 110 Ų | 110 | 45% | 0.451 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -43 | 174.8 | -68 | 161.7 | 0 | 0 | 0 | 110.8 | E62 M63 G69 R70 | E62-I66 WeakPolarHBondContact O-CB 3.32Å; E62-I66 WeakPolarHBondContact O-CD1 3.39Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 2.59Å; M63-I66 PolarHBondContact O-N 3.41Å; I66-G69 PolarHBondContact O-N 3.45Å; I66-R70 WeakPolarHBondContact O-CB 3.02Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 2.8Å |
| 67 | N | 55 | Low | 49.9 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 43% | 0.428 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -37.2 | 177.1 | -77.5 | -69.9 | 0 | 0 | 0 | 112 | M63 M64 R70 A71 | M63-N67 WeakPolarHBondContact O-CB 3.47Å; M63-N67 PolarHBondContact O-N 3.11Å; M63-N67 PolarHBondContact O-ND2 3.32Å; M64-N67 PolarHBondContact O-N 3.04Å; N67-R70 PolarHBondContact O-N 3.41Å; N67-A71 WeakPolarHBondContact O-CB 3.45Å; N67-A71 PolarHBondContact O-N 2.89Å |
| 68 | L | 54.5 | Low | 49.7 | Very low | 103 Ų | 103 | 112.7 Ų | 112.7 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 173.3 | -172.5 | 61.6 | 0 | 0 | 0 | 111.3 | M64 Y65 A71 C72 | M64-L68 VanDerWaalsContact O-CB 3.25Å; M64-L68 WeakPolarHBondContact O-CB 3.02Å; M64-L68 PolarHBondContact O-N 3.13Å; Y65-L68 PolarHBondContact O-N 3.3Å; L68-A71 PolarHBondContact O-N 2.79Å; L68-C72 PolarHBondContact O-N 2.65Å; L68-C72 PolarHBondContact O-SG 2.7Å; L68-C72 VanDerWaalsContact O-SG 3.41Å |
| 69 | G | 53.5 | Low | 49.4 | Very low | 36 Ų | 36 | 109.4 Ų | 109.4 | 37% | 0.371 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60 | -47.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y65 I66 C72 T73 | Y65-G69 PolarHBondContact O-N 3.2Å; I66-G69 PolarHBondContact O-N 3.45Å; G69-C72 WeakPolarHBondContact O-CB 3.31Å; G69-C72 PolarHBondContact O-N 2.82Å; G69-T73 PolarHBondContact O-N 3.21Å; G69-T73 PolarHBondContact O-OG1 2.92Å |
| 70 | R | 48.8 | Very low | 49 | Very low | 172 Ų | 172 | 108.9 Ų | 108.9 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -35.7 | 177.1 | -71.6 | 176.1 | 107.3 | 176.6 | 5.6 | 112.9 | I66 N67 C72 T73 V74 | I66-R70 WeakPolarHBondContact O-CB 3.02Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 2.8Å; N67-R70 PolarHBondContact O-N 3.41Å; R70-C72 VanDerWaalsContact C-N 3.31Å; R70-C72 PolarHBondContact O-N 3.47Å; R70-T73 PolarHBondContact O-N 3.44Å; R70-V74 WeakPolarHBondContact O-CG2 3.26Å; R70-V74 PolarHBondContact O-N 3.12Å |
| 71 | A | 46.1 | Very low | 48.6 | Very low | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.3 | -36.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N67 L68 R75 | N67-A71 WeakPolarHBondContact O-CB 3.45Å; N67-A71 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 2.79Å; A71-R75 PolarHBondContact O-N 3.41Å |
| 72 | C | 38.8 | Very low | 47.6 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 49% | 0.486 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71 | -35.8 | 172.1 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | L68 G69 R70 R75 M76 | L68-C72 PolarHBondContact O-N 2.65Å; L68-C72 PolarHBondContact O-SG 2.7Å; L68-C72 VanDerWaalsContact O-SG 3.41Å; G69-C72 WeakPolarHBondContact O-CB 3.31Å; G69-C72 PolarHBondContact O-N 2.82Å; R70-C72 VanDerWaalsContact C-N 3.31Å; R70-C72 PolarHBondContact O-N 3.47Å; C72-R75 PolarHBondContact O-N 3.1Å; C72-M76 PolarHBondContact O-N 2.95Å; C72-M76 VanDerWaalsContact O-N 3.11Å |
| 73 | T | 39.9 | Very low | 46.9 | Very low | 97 Ų | 97 | 107.6 Ų | 107.6 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 175.6 | -27.2 | 0 | 0 | 0 | 0 | 112.1 | G69 R70 R75 M76 G77 | G69-T73 PolarHBondContact O-N 3.21Å; G69-T73 PolarHBondContact O-OG1 2.92Å; R70-T73 PolarHBondContact O-N 3.44Å; T73-R75 VanDerWaalsContact C-N 3.29Å; T73-R75 PolarHBondContact O-N 2.79Å; T73-M76 PolarHBondContact O-N 3.06Å; T73-G77 PolarHBondContact O-N 2.67Å; T73-G77 VanDerWaalsContact O-N 3.13Å |
| 74 | V | 39.5 | Very low | 45.8 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 70% | 0.697 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.2 | -32.6 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | R70 G77 | R70-V74 WeakPolarHBondContact O-CG2 3.26Å; R70-V74 PolarHBondContact O-N 3.12Å; V74-G77 PolarHBondContact O-N 2.94Å |
| 75 | R | 35 | Very low | 45.3 | Very low | 225 Ų | 225 | 114.7 Ų | 114.7 | 85% | 0.849 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75 | -25.6 | 175.7 | -158.7 | 177.4 | -163.8 | 134.9 | 2.7 | 113.8 | A71 C72 T73 | A71-R75 PolarHBondContact O-N 3.41Å; C72-R75 PolarHBondContact O-N 3.1Å; T73-R75 VanDerWaalsContact C-N 3.29Å; T73-R75 PolarHBondContact O-N 2.79Å |
| 76 | M | 37 | Very low | 44.6 | Very low | 167 Ų | 167 | 112.5 Ų | 112.5 | 82% | 0.823 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 4.2 | 171.7 | -86.1 | -155.4 | -92.3 | 0 | 0 | 114.1 | C72 T73 | C72-M76 PolarHBondContact O-N 2.95Å; C72-M76 VanDerWaalsContact O-N 3.11Å; T73-M76 PolarHBondContact O-N 3.06Å |
| 77 | G | 45.2 | Very low | 43.7 | Very low | 60 Ų | 60 | 113.8 Ų | 113.8 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -89 | 0.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | T73 V74 | T73-G77 PolarHBondContact O-N 2.67Å; T73-G77 VanDerWaalsContact O-N 3.13Å; V74-G77 PolarHBondContact O-N 2.94Å |
| 78 | L | 47.1 | Very low | 43.1 | Very low | 169 Ų | 169 | 115.8 Ų | 115.8 | 89% | 0.885 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -127.2 | 71.4 | 178 | -77.1 | 167.6 | 0 | 0 | 0 | 109.9 | | |
| 79 | G | 44.2 | Very low | 42.3 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | | | trans | 161.2 | 81.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 80 | S | 43.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | | 175.5 | 105.8 | 121.1 | -159.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 81 | G | 46.2 | Very low | 41.1 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -74.2 | 171.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 82 | G | 35.1 | Very low | 40.7 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | | | trans | 98.3 | 105.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 83 | G | 42.1 | Very low | 40.9 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | cis | 94.4 | 102.3 | 34.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 84 | E | 35.2 | Very low | 40.9 | Very low | 276 Ų | 276 | 130 Ų | 130 | 100% | 1.29 | 82% | 0.824 | S | S | * | * | | | trans | -176.3 | 0 | 141.2 | -96.2 | 176 | 122.2 | 0 | 0 | 108.7 | | |