| 1 | M | 36.3 | Very low | 45 | Very low | 248 Ų | 248 | 166.3 Ų | 166.3 | 100% | 1.222 | 88% | 0.882 | S | S | * | * | | | | 0 | 113.1 | 0 | -74.6 | 158.8 | 106.7 | 0 | 0 | 107.1 | | |
| 2 | T | 43.9 | Very low | 44.3 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 95% | 0.945 | 86% | 0.864 | S | S | * | * | | | trans | -78.7 | 148.4 | 172.2 | 23.4 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | G | 39 | Very low | 45 | Very low | 70 Ų | 70 | 157.9 Ų | 157.9 | 72% | 0.722 | 86% | 0.862 | S | S | * | * | | | trans | 149.8 | 87.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | A | 46.3 | Very low | 45.3 | Very low | 100 Ų | 100 | 158.2 Ų | 158.2 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | | | | 61.7 | 93 | 88 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 5 | E | 50.5 | Low | 45.1 | Very low | 197 Ų | 197 | 157 Ų | 157 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | | | trans | -135.9 | 119.4 | 143.8 | -71.6 | -148.7 | 144.9 | 0 | 0 | 109.8 | | |
| 6 | E | 43.8 | Very low | 45.2 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | | | trans | -89.4 | 135.7 | -166.2 | -169.9 | -176.1 | 141.2 | 0 | 0 | 108.2 | K8 | E6-K8 PolarHBondContact O-N 3.4Å; E6-K8 VanDerWaalsContact O-N 3.12Å |
| 7 | W | 47.9 | Very low | 45.3 | Very low | 248 Ų | 248 | 152.8 Ų | 152.8 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | | | trans | -61 | 111.2 | 172 | -66.4 | 79.5 | 0 | 0 | 0 | 109.8 | | |
| 8 | K | 42.1 | Very low | 45.2 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 76% | 0.761 | 83% | 0.833 | S | S | * | * | | | trans | -139.5 | 91 | 169.6 | -125.6 | 176.4 | 179.3 | 174.4 | 0 | 111.8 | E6 | E6-K8 PolarHBondContact O-N 3.4Å; E6-K8 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 52.7 | Low | 45.1 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | | | trans | -64.9 | 120.8 | 161.4 | -66.2 | 163.9 | 0 | 0 | 0 | 109.2 | | |
| 10 | S | 45.3 | Very low | 45.1 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | | | trans | -163.5 | 94 | 163.1 | -73.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 11 | M | 46.9 | Very low | 45.2 | Very low | 204 Ų | 204 | 153.6 Ų | 153.6 | 100% | 1.005 | 83% | 0.834 | S | S | * | * | | | | 89.7 | 123.3 | 80.5 | -160.5 | 161.4 | -166 | 0 | 0 | 113.4 | | |
| 12 | G | 36.8 | Very low | 45.9 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | 150.2 | 100.7 | 174 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 13 | L | 53.3 | Low | 46.3 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | | 41.2 | 107.3 | 76.4 | -140.4 | 72.6 | 0 | 0 | 0 | 107.5 | | |
| 14 | E | 50.1 | Low | 47 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | | -171.1 | 133.5 | 68.2 | -34.8 | -162.8 | 103.1 | 0 | 0 | 105 | | |
| 15 | D | 41.9 | Very low | 47.5 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | | 163.1 | 121.6 | 91.2 | -95.8 | -41.6 | 0 | 0 | 0 | 107.8 | | |
| 16 | T | 46.3 | Very low | 47.6 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | | 59.1 | 113.3 | 94 | -32.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 17 | V | 46.8 | Very low | 48.1 | Very low | 120 Ų | 120 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | | -178.8 | 155.6 | 65.2 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 18 | P | 44.7 | Very low | 48.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | | -136.4 | 132.9 | 123.4 | 32.3 | -17.7 | 0 | 0 | 0 | 115.2 | | |
| 19 | A | 42.3 | Very low | 49.2 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | 53.6 | 101.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120 | L21 | A19-L21 PolarHBondContact O-N 3.13Š|
| 20 | R | 44.3 | Very low | 49.5 | Very low | 256 Ų | 256 | 132.1 Ų | 132.1 | 97% | 0.966 | 74% | 0.736 | S | S | * | * | | | trans | -59.4 | 120.1 | 154.7 | -88.3 | -172.6 | 169.7 | -114.8 | 2.9 | 110.8 | | |
| 21 | L | 48.7 | Very low | 50.1 | Low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | | | trans | -79.8 | 118.1 | 160.4 | -72.5 | 164.2 | 0 | 0 | 0 | 109.3 | A19 L23 | A19-L21 PolarHBondContact O-N 3.13Å; L21-L23 PolarHBondContact O-N 3.44Å |
| 22 | S | 50.6 | Low | 50.8 | Low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | | | trans | -72.5 | 104.2 | 177.9 | 34.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 23 | L | 51.6 | Low | 51.8 | Low | 139 Ų | 139 | 132.9 Ų | 132.9 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | trans | -70.8 | 121.8 | 174.2 | -82.3 | 147.7 | 0 | 0 | 0 | 111.4 | L21 L27 | L21-L23 PolarHBondContact O-N 3.44Å; L23-L27 HydrophobicContact CD2-CD2 3.94Å |
| 24 | T | 53.7 | Low | 52.2 | Low | 100 Ų | 100 | 129.1 Ų | 129.1 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | | | trans | -60.7 | 143.3 | 177.5 | 25.2 | 0 | 0 | 0 | 0 | 114.3 | R26 L27 | T24-R26 VanDerWaalsContact C-N 3.26Å; T24-R26 PolarHBondContact O-N 3.07Å; T24-R26 VanDerWaalsContact O-N 3.13Å; T24-L27 PolarHBondContact O-N 3.36Å |
| 25 | P | 56.9 | Low | 53 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.1 | -17.5 | -171.8 | 24.7 | -33.8 | 0 | 0 | 0 | 115.1 | L27 V28 | P25-L27 VanDerWaalsContact C-N 3.29Å; P25-L27 PolarHBondContact O-N 3.26Å; P25-V28 PolarHBondContact O-N 3.33Å |
| 26 | R | 53.7 | Low | 54.2 | Low | 232 Ų | 232 | 125.6 Ų | 125.6 | 88% | 0.875 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -68.5 | -29 | 178.7 | -139.7 | 179.7 | -170.9 | 169.6 | 2.6 | 112.7 | T24 | T24-R26 VanDerWaalsContact C-N 3.26Å; T24-R26 PolarHBondContact O-N 3.07Å; T24-R26 VanDerWaalsContact O-N 3.13Å |
| 27 | L | 54 | Low | 55.2 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -73.6 | -35 | 177.5 | -151.8 | 96.8 | 0 | 0 | 0 | 111.5 | L23 T24 P25 N29 S30 F31 | L23-L27 HydrophobicContact CD2-CD2 3.94Å; T24-L27 PolarHBondContact O-N 3.36Å; P25-L27 VanDerWaalsContact C-N 3.29Å; P25-L27 PolarHBondContact O-N 3.26Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.02Å; L27-S30 PolarHBondContact O-N 3.1Å; L27-F31 HydrophobicContact CD2-CE2 4.3Å; L27-F31 PolarHBondContact O-N 2.79Å |
| 28 | V | 57.7 | Low | 56.2 | Low | 80 Ų | 80 | 121.8 Ų | 121.8 | 49% | 0.485 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | P25 S30 F31 M32 | P25-V28 PolarHBondContact O-N 3.33Å; V28-S30 PolarHBondContact O-N 3.31Å; V28-F31 PolarHBondContact O-N 2.94Å; V28-M32 PolarHBondContact O-N 3.02Å |
| 29 | N | 56 | Low | 57.3 | Low | 118 Ų | 118 | 117.5 Ų | 117.5 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -32.2 | -179.8 | -104.4 | 3.1 | 0 | 0 | 0 | 113.7 | L27 F31 M32 N33 | L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.02Å; N29-F31 VanDerWaalsContact C-N 3.34Å; N29-M32 PolarHBondContact O-N 2.96Å; N29-N33 PolarHBondContact O-N 3.25Å |
| 30 | S | 57.3 | Low | 58.7 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -38.9 | 174.8 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | L27 V28 T34 | L27-S30 PolarHBondContact O-N 3.1Å; V28-S30 PolarHBondContact O-N 3.31Å; S30-T34 PolarHBondContact O-N 3.47Å; S30-T34 PolarHBondContact O-OG1 2.86Å |
| 31 | F | 59.7 | Low | 59.9 | Low | 146 Ų | 146 | 111.2 Ų | 111.2 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 173.8 | -94.4 | -83.4 | 0 | 0 | 0 | 112.8 | L27 V28 N29 N33 T34 G35 | L27-F31 HydrophobicContact CD2-CE2 4.3Å; L27-F31 PolarHBondContact O-N 2.79Å; V28-F31 PolarHBondContact O-N 2.94Å; N29-F31 VanDerWaalsContact C-N 3.34Å; F31-N33 VanDerWaalsContact C-N 3.33Å; F31-N33 PolarHBondContact O-N 3.48Å; F31-T34 PolarHBondContact O-N 3.41Å; F31-G35 PolarHBondContact O-N 3.19Å |
| 32 | M | 59.9 | Low | 60.9 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 67% | 0.665 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.5 | -38.8 | 178.8 | -82.2 | -169.2 | 69.9 | 0 | 0 | 112.9 | V28 N29 | V28-M32 PolarHBondContact O-N 3.02Å; N29-M32 PolarHBondContact O-N 2.96Å |
| 33 | N | 59.1 | Low | 61.7 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -40.1 | 178.2 | -159.3 | -51.2 | 0 | 0 | 0 | 111.6 | N29 F31 G35 R36 L37 | N29-N33 PolarHBondContact O-N 3.25Å; F31-N33 VanDerWaalsContact C-N 3.33Å; F31-N33 PolarHBondContact O-N 3.48Å; N33-G35 VanDerWaalsContact C-N 3.31Å; N33-G35 PolarHBondContact O-N 2.83Å; N33-R36 PolarHBondContact O-N 3.18Å; N33-R36 VanDerWaalsContact O-N 3.14Å; N33-L37 PolarHBondContact O-N 3.44Å |
| 34 | T | 61.6 | Low | 62.3 | Low | 80 Ų | 80 | 110 Ų | 110 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -37.9 | 176.4 | -52.8 | 0 | 0 | 0 | 0 | 112 | S30 F31 R36 L37 A38 | S30-T34 PolarHBondContact O-N 3.47Å; S30-T34 PolarHBondContact O-OG1 2.86Å; F31-T34 PolarHBondContact O-N 3.41Å; T34-R36 VanDerWaalsContact C-N 3.29Å; T34-R36 PolarHBondContact O-N 3.09Å; T34-L37 PolarHBondContact O-N 3.02Å; T34-A38 WeakPolarHBondContact O-CB 3.44Å; T34-A38 PolarHBondContact O-N 3.24Å |
| 35 | G | 65.8 | Low | 62.8 | Low | 45 Ų | 45 | 110.5 Ų | 110.5 | 46% | 0.464 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -32 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F31 N33 G39 | F31-G35 PolarHBondContact O-N 3.19Å; N33-G35 VanDerWaalsContact C-N 3.31Å; N33-G35 PolarHBondContact O-N 2.83Å; G35-G39 PolarHBondContact O-N 3.34Å |
| 36 | R | 67.7 | Low | 62.8 | Low | 183 Ų | 183 | 109.4 Ų | 109.4 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.4 | -40 | 177.8 | -160.9 | -179.6 | 177.8 | -136.3 | -0.6 | 111.8 | N33 T34 G39 Q40 | N33-R36 PolarHBondContact O-N 3.18Å; N33-R36 VanDerWaalsContact O-N 3.14Å; T34-R36 VanDerWaalsContact C-N 3.29Å; T34-R36 PolarHBondContact O-N 3.09Å; R36-G39 PolarHBondContact O-N 3.33Å; R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 3.33Å |
| 37 | L | 67.6 | Low | 63 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -41.6 | 173.5 | -68.3 | 170.9 | 0 | 0 | 0 | 111.6 | N33 T34 G39 Q40 L41 | N33-L37 PolarHBondContact O-N 3.44Å; T34-L37 PolarHBondContact O-N 3.02Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-G39 PolarHBondContact O-N 3.08Å; L37-Q40 PolarHBondContact O-N 2.93Å; L37-L41 WeakPolarHBondContact O-CB 3.2Å; L37-L41 PolarHBondContact O-N 3.14Å |
| 38 | A | 67.1 | Low | 63.1 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -37.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T34 R42 | T34-A38 WeakPolarHBondContact O-CB 3.44Å; T34-A38 PolarHBondContact O-N 3.24Å; A38-R42 WeakPolarHBondContact O-CB 3.5Å; A38-R42 PolarHBondContact O-N 3.5Å |
| 39 | G | 69.3 | Low | 63 | Low | 33 Ų | 33 | 102.6 Ų | 102.6 | 34% | 0.34 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.9 | -47.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G35 R36 L37 R42 E43 | G35-G39 PolarHBondContact O-N 3.34Å; R36-G39 PolarHBondContact O-N 3.33Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-G39 PolarHBondContact O-N 3.08Å; G39-R42 PolarHBondContact O-N 2.97Å; G39-E43 PolarHBondContact O-N 3Å |
| 40 | Q | 70.6 | Confident | 63.1 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 178.2 | -73 | -174.1 | -44.1 | 0 | 0 | 112.8 | R36 L37 R42 E43 A44 | R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 3.33Å; L37-Q40 PolarHBondContact O-N 2.93Å; Q40-R42 VanDerWaalsContact C-N 3.33Å; Q40-E43 PolarHBondContact O-N 3.36Å; Q40-A44 WeakPolarHBondContact O-CB 3.27Å; Q40-A44 PolarHBondContact O-N 3.42Å |
| 41 | L | 70.3 | Confident | 62.8 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.1 | -41.9 | 174.2 | -171.4 | 70.9 | 0 | 0 | 0 | 110.7 | L37 A44 M45 | L37-L41 WeakPolarHBondContact O-CB 3.2Å; L37-L41 PolarHBondContact O-N 3.14Å; L41-A44 PolarHBondContact O-N 3.27Å; L41-M45 HydrophobicContact CD2-CE 4.09Å; L41-M45 HydrophobicContact CG-CE 3.77Å; L41-M45 HydrophobicContact CG-SD 4.4Å; L41-M45 WeakPolarHBondContact O-CB 3.46Å; L41-M45 VanDerWaalsContact O-CG 3.28Å; L41-M45 WeakPolarHBondContact O-CG 3.35Å; L41-M45 PolarHBondContact O-N 3.41Å |
| 42 | R | 69.6 | Low | 62.4 | Low | 194 Ų | 194 | 105.9 Ų | 105.9 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.2 | -39.6 | 176.6 | -176.3 | 173.4 | -178.1 | -119.9 | 0.3 | 112.3 | A38 G39 Q40 M45 S46 | A38-R42 WeakPolarHBondContact O-CB 3.5Å; A38-R42 PolarHBondContact O-N 3.5Å; G39-R42 PolarHBondContact O-N 2.97Å; Q40-R42 VanDerWaalsContact C-N 3.33Å; R42-M45 PolarHBondContact O-N 3.34Å; R42-S46 WeakPolarHBondContact O-CB 3.41Å; R42-S46 PolarHBondContact O-N 2.95Å |
| 43 | E | 66.3 | Low | 62.3 | Low | 141 Ų | 141 | 107.7 Ų | 107.7 | 66% | 0.659 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.8 | -44.6 | 173.4 | -99.7 | 170.7 | 158.4 | 0 | 0 | 111.9 | G39 Q40 M45 S46 A47 | G39-E43 PolarHBondContact O-N 3Å; Q40-E43 PolarHBondContact O-N 3.36Å; E43-M45 VanDerWaalsContact C-N 3.35Å; E43-M45 PolarHBondContact O-N 3.13Å; E43-S46 PolarHBondContact O-N 3.42Å; E43-A47 WeakPolarHBondContact O-CB 3.44Å; E43-A47 PolarHBondContact O-N 3.34Å |
| 44 | A | 65.8 | Low | 62.2 | Low | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.3 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q40 L41 A48 | Q40-A44 WeakPolarHBondContact O-CB 3.27Å; Q40-A44 PolarHBondContact O-N 3.42Å; L41-A44 PolarHBondContact O-N 3.27Å; A44-A48 PolarHBondContact O-N 3.4Å |
| 45 | M | 62.5 | Low | 61.8 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.7 | -35.6 | 176.3 | -71.7 | -172.7 | -61 | 0 | 0 | 112.5 | L41 R42 E43 A48 S49 | L41-M45 HydrophobicContact CD2-CE 4.09Å; L41-M45 HydrophobicContact CG-CE 3.77Å; L41-M45 HydrophobicContact CG-SD 4.4Å; L41-M45 WeakPolarHBondContact O-CB 3.46Å; L41-M45 VanDerWaalsContact O-CG 3.28Å; L41-M45 WeakPolarHBondContact O-CG 3.35Å; L41-M45 PolarHBondContact O-N 3.41Å; R42-M45 PolarHBondContact O-N 3.34Å; E43-M45 VanDerWaalsContact C-N 3.35Å; E43-M45 PolarHBondContact O-N 3.13Å; M45-A48 PolarHBondContact O-N 3.28Å; M45-S49 WeakPolarHBondContact O-CB 3.49Å; M45-S49 PolarHBondContact O-N 3.42Å |
| 46 | S | 57.3 | Low | 61.6 | Low | 83 Ų | 83 | 116.5 Ų | 116.5 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.1 | -32.4 | 179.6 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | R42 E43 A48 S49 | R42-S46 WeakPolarHBondContact O-CB 3.41Å; R42-S46 PolarHBondContact O-N 2.95Å; E43-S46 PolarHBondContact O-N 3.42Å; S46-A48 VanDerWaalsContact C-N 3.31Å; S46-S49 PolarHBondContact O-N 3.06Å |
| 47 | A | 57.7 | Low | 60.8 | Low | 88 Ų | 88 | 115.3 Ų | 115.3 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -29.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E43 | E43-A47 WeakPolarHBondContact O-CB 3.44Å; E43-A47 PolarHBondContact O-N 3.34Å |
| 48 | A | 57.4 | Low | 60.5 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80 | -18.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | A44 M45 S46 | A44-A48 PolarHBondContact O-N 3.4Å; M45-A48 PolarHBondContact O-N 3.28Å; S46-A48 VanDerWaalsContact C-N 3.31Å |
| 49 | S | 55.5 | Low | 60.1 | Low | 82 Ų | 82 | 116.6 Ų | 116.6 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | | | trans | -114.2 | 70.5 | -173.8 | -159.9 | 0 | 0 | 0 | 0 | 110.8 | M45 S46 R51 | M45-S49 WeakPolarHBondContact O-CB 3.49Å; M45-S49 PolarHBondContact O-N 3.42Å; S46-S49 PolarHBondContact O-N 3.06Å; S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.32Å |
| 50 | G | 57.4 | Low | 59.5 | Low | 75 Ų | 75 | 123.2 Ų | 123.2 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | | | trans | -71.4 | 76.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 51 | R | 51 | Low | 58.6 | Low | 229 Ų | 229 | 129 Ų | 129 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 178 | 157.2 | 149.9 | -105.2 | -177.2 | 174.9 | -147.7 | -0.8 | 112.2 | S49 | S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.32Å |
| 52 | P | 51.5 | Low | 57.9 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | trans | -82.8 | 134.6 | -144.4 | 32.5 | -36.2 | 0 | 0 | 0 | 114.6 | I54 | P52-I54 PolarHBondContact O-N 3.37Š|
| 53 | M | 57.8 | Low | 57.5 | Low | 173 Ų | 173 | 122.5 Ų | 122.5 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | | | | 30.8 | 86.7 | 127.6 | -158.8 | 141.5 | 95.5 | 0 | 0 | 116.8 | | |
| 54 | I | 57.2 | Low | 57.3 | Low | 160 Ų | 160 | 119.3 Ų | 119.3 | 82% | 0.821 | 69% | 0.692 | S | S | * | * | | | trans | -115.4 | 102.6 | 146.6 | -53.9 | -179 | 0 | 0 | 0 | 105.4 | P52 P56 | P52-I54 PolarHBondContact O-N 3.37Å; I54-P56 WeakPolarHBondContact O-CD 3.41Å |
| 55 | Q | 51.8 | Low | 57.2 | Low | 149 Ų | 149 | 123 Ų | 123 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | | | trans | -64.4 | 112 | 172.5 | -160.5 | -169.8 | 114.4 | 0 | 0 | 106.4 | E57 | Q55-E57 PolarHBondContact O-N 2.8Å; Q55-E57 VanDerWaalsContact O-N 3.1Å |
| 56 | P | 61.4 | Low | 57.7 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | | | trans | -69 | 112.9 | 162.6 | 28.8 | -27.7 | 0 | 0 | 0 | 104.6 | I54 P58 | I54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-P58 WeakPolarHBondContact O-CD 3.43Å |
| 57 | E | 52.4 | Low | 58.7 | Low | 158 Ų | 158 | 126.1 Ų | 126.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | trans | -44.3 | 121.4 | 164.5 | -71.8 | -174.2 | 114.1 | 0 | 0 | 107.2 | Q55 S59 | Q55-E57 PolarHBondContact O-N 2.8Å; Q55-E57 VanDerWaalsContact O-N 3.1Å; E57-S59 PolarHBondContact O-N 3.48Å; E57-S59 PolarHBondContact O-OG 3.29Å |
| 58 | P | 59.8 | Low | 60 | Low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | | | trans | -66.1 | 96 | 170.3 | 27 | -30.5 | 0 | 0 | 0 | 105 | P56 L60 | P56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-L60 PolarHBondContact O-N 3.19Å |
| 59 | S | 60.2 | Low | 61.3 | Low | 77 Ų | 77 | 131 Ų | 131 | 54% | 0.538 | 69% | 0.691 | S | S | . | * | | | trans | -55.9 | 111.2 | -171.8 | -29.5 | 0 | 0 | 0 | 0 | 107.2 | E57 W61 L62 | E57-S59 PolarHBondContact O-N 3.48Å; E57-S59 PolarHBondContact O-OG 3.29Å; S59-W61 PolarHBondContact O-N 3.34Å; S59-L62 PolarHBondContact O-N 3.14Å |
| 60 | L | 55.4 | Low | 62.8 | Low | 172 Ų | 172 | 129 Ų | 129 | 90% | 0.901 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -1.9 | 172.4 | -81.7 | 158.1 | 0 | 0 | 0 | 113.2 | P58 L62 G63 | P58-L60 PolarHBondContact O-N 3.19Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.36Å; L60-G63 PolarHBondContact O-N 3.37Å |
| 61 | W | 53.3 | Low | 64.3 | Low | 223 Ų | 223 | 129.3 Ų | 129.3 | 85% | 0.845 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -19.6 | 172.4 | -82.6 | 61.1 | 0 | 0 | 0 | 114.8 | S59 G63 | S59-W61 PolarHBondContact O-N 3.34Å; W61-G63 VanDerWaalsContact C-N 3.26Å; W61-G63 PolarHBondContact O-N 2.92Å |
| 62 | L | 54.6 | Low | 66.1 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 59% | 0.586 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.6 | -13.3 | 177 | -111.3 | 81.3 | 0 | 0 | 0 | 114.1 | S59 L60 S66 | S59-L62 PolarHBondContact O-N 3.14Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.36Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.3Å; L62-S66 PolarHBondContact O-OG 2.97Å |
| 63 | G | 60.4 | Low | 67.8 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 56% | 0.557 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.3 | -34.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L60 W61 R67 | L60-G63 PolarHBondContact O-N 3.37Å; W61-G63 VanDerWaalsContact C-N 3.26Å; W61-G63 PolarHBondContact O-N 2.92Å; G63-R67 PolarHBondContact O-N 3.38Å |
| 64 | S | 61.9 | Low | 69.3 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 52% | 0.517 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -80.9 | -42 | -179 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | S66 R67 W68 | S64-S66 PolarHBondContact O-N 3.36Å; S64-R67 WeakPolarHBondContact O-CB 3.18Å; S64-R67 PolarHBondContact O-N 3.48Å; S64-W68 PolarHBondContact O-N 3.34Å |
| 65 | Q | 65.5 | Low | 70.9 | Confident | 141 Ų | 141 | 118.5 Ų | 118.5 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 176.4 | -89.6 | -173.5 | -15.2 | 0 | 0 | 112.4 | R67 W68 L69 | Q65-R67 PolarHBondContact O-N 3Å; Q65-W68 PolarHBondContact O-N 2.94Å; Q65-L69 PolarHBondContact O-N 2.95Å |
| 66 | S | 71.6 | Confident | 72.5 | Confident | 72 Ų | 72 | 116.7 Ų | 116.7 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.4 | -30.7 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 112 | L62 S64 L69 G70 | L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.3Å; L62-S66 PolarHBondContact O-OG 2.97Å; S64-S66 PolarHBondContact O-N 3.36Å; S66-L69 PolarHBondContact O-N 2.9Å; S66-G70 PolarHBondContact O-N 3.48Å |
| 67 | R | 78.4 | Confident | 73.5 | Confident | 187 Ų | 187 | 114.8 Ų | 114.8 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.1 | -41.7 | 176.6 | -171.5 | 175.6 | 178.4 | -179.3 | -0.9 | 112.1 | G63 S64 Q65 G70 L71 | G63-R67 PolarHBondContact O-N 3.38Å; S64-R67 WeakPolarHBondContact O-CB 3.18Å; S64-R67 PolarHBondContact O-N 3.48Å; Q65-R67 PolarHBondContact O-N 3Å; R67-G70 PolarHBondContact O-N 3.4Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3Å |
| 68 | W | 85.2 | Confident | 74.9 | Confident | 179 Ų | 179 | 112.4 Ų | 112.4 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 174.5 | -75.6 | 105.6 | 0 | 0 | 0 | 112.3 | S64 Q65 G70 L71 L72 | S64-W68 PolarHBondContact O-N 3.34Å; Q65-W68 PolarHBondContact O-N 2.94Å; W68-G70 VanDerWaalsContact C-N 3.34Å; W68-L71 HydrophobicContact CE3-CD1 4.27Å; W68-L71 PolarHBondContact O-N 3.48Å; W68-L72 WeakPolarHBondContact O-CB 3.38Å; W68-L72 PolarHBondContact O-N 3.02Å |
| 69 | L | 85.6 | Confident | 76 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 175 | -171.3 | 62.9 | 0 | 0 | 0 | 111.6 | Q65 S66 L72 L73 | Q65-L69 PolarHBondContact O-N 2.95Å; S66-L69 PolarHBondContact O-N 2.9Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-L73 HydrophobicContact CG-CD1 4.48Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.03Å |
| 70 | G | 86.6 | Confident | 76.5 | Confident | 40 Ų | 40 | 110.5 Ų | 110.5 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.8 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 R67 W68 L73 L74 | S66-G70 PolarHBondContact O-N 3.48Å; R67-G70 PolarHBondContact O-N 3.4Å; W68-G70 VanDerWaalsContact C-N 3.34Å; G70-L73 PolarHBondContact O-N 3.33Å; G70-L74 WeakPolarHBondContact O-CB 3.39Å; G70-L74 PolarHBondContact O-N 3.37Å |
| 71 | L | 88.7 | Confident | 76.8 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 42% | 0.419 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 175.2 | -74.6 | 168.9 | 0 | 0 | 0 | 112.3 | R67 W68 L74 L75 | R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3Å; W68-L71 HydrophobicContact CE3-CD1 4.27Å; W68-L71 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 2.93Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 3.43Å |
| 72 | L | 89.8 | Confident | 77.1 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.3 | -178.3 | 63.7 | 0 | 0 | 0 | 111.4 | W68 L69 L74 L75 L76 | W68-L72 WeakPolarHBondContact O-CB 3.38Å; W68-L72 PolarHBondContact O-N 3.02Å; L69-L72 PolarHBondContact O-N 3.34Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L72-L74 PolarHBondContact O-N 3.43Å; L72-L75 PolarHBondContact O-N 2.85Å; L72-L76 PolarHBondContact O-N 3.28Å |
| 73 | L | 86.4 | Confident | 77.1 | Confident | 107 Ų | 107 | 103.5 Ų | 103.5 | 56% | 0.56 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 177.5 | -69.5 | 172 | 0 | 0 | 0 | 112.2 | L69 G70 L76 S77 | L69-L73 HydrophobicContact CG-CD1 4.48Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.03Å; G70-L73 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.02Å; L73-S77 WeakPolarHBondContact O-CB 3.34Å; L73-S77 PolarHBondContact O-N 3.34Å |
| 74 | L | 89.3 | Confident | 77 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.9 | -46.1 | 175.7 | -178.9 | 65.3 | 0 | 0 | 0 | 111.9 | G70 L71 L72 L76 S77 L78 | G70-L74 WeakPolarHBondContact O-CB 3.39Å; G70-L74 PolarHBondContact O-N 3.37Å; L71-L74 PolarHBondContact O-N 2.93Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L72-L74 PolarHBondContact O-N 3.43Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 2.91Å; L74-S77 PolarHBondContact O-N 3.03Å; L74-L78 PolarHBondContact O-N 3.38Å |
| 75 | L | 90.4 | Very high | 76.8 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -41.8 | 176.8 | -74.7 | 168.1 | 0 | 0 | 0 | 111.7 | L71 L72 L78 L79 | L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 3.43Å; L72-L75 PolarHBondContact O-N 2.85Å; L75-L78 PolarHBondContact O-N 2.87Å; L75-L79 WeakPolarHBondContact O-CB 3.49Å; L75-L79 PolarHBondContact O-N 3.3Å |
| 76 | L | 86.6 | Confident | 76.3 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | 178.3 | -142.2 | 73.6 | 0 | 0 | 0 | 111.8 | L72 L73 L74 L79 G80 | L72-L76 PolarHBondContact O-N 3.28Å; L73-L76 PolarHBondContact O-N 3.02Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 2.91Å; L76-L79 PolarHBondContact O-N 3.46Å; L76-G80 PolarHBondContact O-N 3.24Å |
| 77 | S | 82.1 | Confident | 75.5 | Confident | 70 Ų | 70 | 112.4 Ų | 112.4 | 49% | 0.49 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -42.6 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | L73 L74 L79 G80 I81 | L73-S77 WeakPolarHBondContact O-CB 3.34Å; L73-S77 PolarHBondContact O-N 3.34Å; L74-S77 PolarHBondContact O-N 3.03Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-G80 PolarHBondContact O-N 3.47Å; S77-I81 WeakPolarHBondContact O-CD1 3.43Å; S77-I81 VanDerWaalsContact O-CG1 3.27Å; S77-I81 WeakPolarHBondContact O-CG1 3.33Å; S77-I81 PolarHBondContact O-N 3.25Å; S77-I81 VanDerWaalsContact O-N 3.14Å |
| 78 | L | 82.1 | Confident | 74.7 | Confident | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -39.7 | 178.5 | -170.3 | 63.2 | 0 | 0 | 0 | 111.4 | L74 L75 I81 T82 | L74-L78 PolarHBondContact O-N 3.38Å; L75-L78 PolarHBondContact O-N 2.87Å; L78-I81 PolarHBondContact O-N 3.29Å; L78-T82 PolarHBondContact O-N 3.5Å; L78-T82 VanDerWaalsContact O-N 3.08Å; L78-T82 PolarHBondContact O-OG1 2.82Å |
| 79 | L | 82.1 | Confident | 73.5 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 175.8 | -171.5 | 62.5 | 0 | 0 | 0 | 112.6 | L75 L76 S77 I81 T82 W83 | L75-L79 WeakPolarHBondContact O-CB 3.49Å; L75-L79 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 3.46Å; S77-L79 VanDerWaalsContact C-N 3.33Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.06Å; L79-T82 WeakPolarHBondContact CA-OG1 3.45Å; L79-T82 PolarHBondContact O-OG1 2.76Å; L79-W83 WeakPolarHBondContact O-CB 3.14Å; L79-W83 PolarHBondContact O-N 3.25Å |
| 80 | G | 69.8 | Low | 72.4 | Confident | 39 Ų | 39 | 108.6 Ų | 108.6 | 40% | 0.402 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.5 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L76 S77 W83 T84 | L76-G80 PolarHBondContact O-N 3.24Å; S77-G80 PolarHBondContact O-N 3.47Å; G80-W83 PolarHBondContact O-N 3.45Å; G80-T84 PolarHBondContact O-N 3.38Å; G80-T84 PolarHBondContact O-OG1 3.48Å |
| 81 | I | 61.6 | Low | 71 | Confident | 88 Ų | 88 | 112 Ų | 112 | 45% | 0.451 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.9 | -44.9 | 178.5 | -64.7 | 161.4 | 0 | 0 | 0 | 110.6 | S77 L78 L79 W83 T84 E85 | S77-I81 WeakPolarHBondContact O-CD1 3.43Å; S77-I81 VanDerWaalsContact O-CG1 3.27Å; S77-I81 WeakPolarHBondContact O-CG1 3.33Å; S77-I81 PolarHBondContact O-N 3.25Å; S77-I81 VanDerWaalsContact O-N 3.14Å; L78-I81 PolarHBondContact O-N 3.29Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.06Å; I81-W83 VanDerWaalsContact C-N 3.25Å; I81-W83 PolarHBondContact O-N 3.47Å; I81-T84 PolarHBondContact O-N 2.99Å; I81-T84 PolarHBondContact O-OG1 3.05Å; I81-E85 PolarHBondContact O-N 3.29Å |
| 82 | T | 59.6 | Low | 69.7 | Low | 71 Ų | 71 | 117.9 Ų | 117.9 | 44% | 0.436 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -29.5 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | L78 L79 E85 V86 | L78-T82 PolarHBondContact O-N 3.5Å; L78-T82 VanDerWaalsContact O-N 3.08Å; L78-T82 PolarHBondContact O-OG1 2.82Å; L79-T82 WeakPolarHBondContact CA-OG1 3.45Å; L79-T82 PolarHBondContact O-OG1 2.76Å; T82-E85 PolarHBondContact O-N 3.35Å; T82-V86 WeakPolarHBondContact O-CG2 3.36Å; T82-V86 PolarHBondContact O-N 2.92Å; T82-V86 VanDerWaalsContact O-N 3.09Å |
| 83 | W | 55 | Low | 67.6 | Low | 201 Ų | 201 | 120.5 Ų | 120.5 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -35.5 | 175.3 | -173 | -98 | 0 | 0 | 0 | 113 | L79 G80 I81 E85 | L79-W83 WeakPolarHBondContact O-CB 3.14Å; L79-W83 PolarHBondContact O-N 3.25Å; G80-W83 PolarHBondContact O-N 3.45Å; I81-W83 VanDerWaalsContact C-N 3.25Å; I81-W83 PolarHBondContact O-N 3.47Å; W83-E85 VanDerWaalsContact C-N 3.31Å |
| 84 | T | 58 | Low | 66.2 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.1 | -23.1 | 176.4 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | G80 I81 | G80-T84 PolarHBondContact O-N 3.38Å; G80-T84 PolarHBondContact O-OG1 3.48Å; I81-T84 PolarHBondContact O-N 2.99Å; I81-T84 PolarHBondContact O-OG1 3.05Å |
| 85 | E | 57.6 | Low | 64.2 | Low | 163 Ų | 163 | 120.5 Ų | 120.5 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -90 | -31.2 | -179.1 | -155.5 | 149.7 | 148.9 | 0 | 0 | 112.3 | I81 T82 W83 Q87 | I81-E85 PolarHBondContact O-N 3.29Å; T82-E85 PolarHBondContact O-N 3.35Å; W83-E85 VanDerWaalsContact C-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.35Å |
| 86 | V | 56.5 | Low | 62.4 | Low | 108 Ų | 108 | 120.8 Ų | 120.8 | 66% | 0.655 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90.5 | 62.5 | 168.5 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | T82 P88 | T82-V86 WeakPolarHBondContact O-CG2 3.36Å; T82-V86 PolarHBondContact O-N 2.92Å; T82-V86 VanDerWaalsContact O-N 3.09Å; V86-P88 WeakPolarHBondContact O-CD 3.45Å; V86-P88 VanDerWaalsContact O-N 3.16Å |
| 87 | Q | 53.5 | Low | 60.7 | Low | 152 Ų | 152 | 123.6 Ų | 123.6 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 122.7 | 160.2 | -127.2 | -174.4 | 61.3 | 0 | 0 | 107 | E85 P89 | E85-Q87 PolarHBondContact O-N 3.35Å; Q87-P89 WeakPolarHBondContact O-CD 3.47Å |
| 88 | P | 61.4 | Low | 58.8 | Low | 96 Ų | 96 | 127 Ų | 127 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.1 | 168.7 | 24 | -29.9 | 0 | 0 | 0 | 106.5 | V86 Q90 | V86-P88 WeakPolarHBondContact O-CD 3.45Å; V86-P88 VanDerWaalsContact O-N 3.16Å; P88-Q90 PolarHBondContact O-N 2.91Å |
| 89 | P | 60.9 | Low | 57.3 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 122.3 | 169.6 | 22.2 | -30.8 | 0 | 0 | 0 | 106.5 | Q87 | Q87-P89 WeakPolarHBondContact O-CD 3.47Š|
| 90 | Q | 62.7 | Low | 55.7 | Low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | | | trans | -43.2 | 129.2 | -179.7 | -79.9 | -179.3 | -32.6 | 0 | 0 | 109 | P88 K92 | P88-Q90 PolarHBondContact O-N 2.91Å; Q90-K92 PolarHBondContact O-N 3.48Å |
| 91 | P | 57.3 | Low | 55.1 | Low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | | | trans | -58.9 | 116.9 | 175.3 | 22.7 | -29.8 | 0 | 0 | 0 | 107 | Q93 | P91-Q93 PolarHBondContact O-N 3.39Š|
| 92 | K | 60.6 | Low | 54.1 | Low | 204 Ų | 204 | 131.2 Ų | 131.2 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | | | trans | -57.2 | 96.5 | 164.3 | -81.9 | 177.6 | 177.9 | 174.7 | 0 | 105.9 | Q90 D94 | Q90-K92 PolarHBondContact O-N 3.48Å; K92-D94 PolarHBondContact O-N 3.39Å |
| 93 | Q | 47 | Very low | 53.3 | Low | 158 Ų | 158 | 133.4 Ų | 133.4 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | -67.3 | 94.6 | 166.7 | -69.5 | -177.3 | -54.8 | 0 | 0 | 105.7 | P91 P95 | P91-Q93 PolarHBondContact O-N 3.39Å; Q93-P95 WeakPolarHBondContact O-CD 3.2Å |
| 94 | D | 55.5 | Low | 52.8 | Low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -67.3 | 114.6 | 160.4 | -117.7 | -32.6 | 0 | 0 | 0 | 107 | K92 T96 | K92-D94 PolarHBondContact O-N 3.39Å; D94-T96 PolarHBondContact O-N 3.24Å |
| 95 | P | 48.8 | Very low | 52 | Low | 83 Ų | 83 | 133.2 Ų | 133.2 | 54% | 0.539 | 75% | 0.748 | S | S | . | * | | | trans | -100.1 | 69.3 | 171.3 | 28.2 | -9.1 | 0 | 0 | 0 | 108 | Q93 L97 Q98 | Q93-P95 WeakPolarHBondContact O-CD 3.2Å; P95-L97 PolarHBondContact O-N 3.49Å; P95-Q98 HydrophobicContact CB-CG 4.39Å; P95-Q98 PolarHBondContact O-N 3.21Å |
| 96 | T | 51.5 | Low | 51.6 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 50.8 | 158.5 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | D94 | D94-T96 PolarHBondContact O-N 3.24Š|
| 97 | L | 50.6 | Low | 51.2 | Low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.3 | 28.7 | 165.7 | -80.3 | -166.6 | 0 | 0 | 0 | 111 | P95 | P95-L97 PolarHBondContact O-N 3.49Š|
| 98 | Q | 42.5 | Very low | 50.8 | Low | 143 Ų | 143 | 137.3 Ų | 137.3 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | -109.8 | 60.1 | 159.7 | -74.8 | -147.8 | 52.1 | 0 | 0 | 110.6 | P95 T100 | P95-Q98 HydrophobicContact CB-CG 4.39Å; P95-Q98 PolarHBondContact O-N 3.21Å; Q98-T100 PolarHBondContact O-N 3.35Å; Q98-T100 VanDerWaalsContact O-N 3.1Å |
| 99 | A | 49.9 | Very low | 50.1 | Low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -77.5 | 70.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 100 | T | 49.8 | Very low | 49.4 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -164.3 | 97.9 | 146.2 | -63.5 | 0 | 0 | 0 | 0 | 106.3 | Q98 | Q98-T100 PolarHBondContact O-N 3.35Å; Q98-T100 VanDerWaalsContact O-N 3.1Å |
| 101 | T | 56.3 | Low | 48.5 | Very low | 139 Ų | 139 | 143 Ų | 143 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -22.4 | 118 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 102 | A | 41.4 | Very low | 47.3 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | | | trans | -110.6 | 130.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 103 | P | 43.1 | Very low | 46.4 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -73.8 | 137.1 | 158.1 | 29.2 | -28.8 | 0 | 0 | 0 | 109.5 | H105 | P103-H105 PolarHBondContact O-N 2.75Š|
| 104 | P | 44 | Very low | 45.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -87.2 | 104.8 | -168.7 | 33.2 | -32 | 0 | 0 | 0 | 111.4 | | |
| 105 | H | 41.7 | Very low | 45.2 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -150.4 | 20.9 | 165 | -145.5 | -76.8 | 0 | 0 | 0 | 116.5 | P103 | P103-H105 PolarHBondContact O-N 2.75Š|
| 106 | L | 47.8 | Very low | 45.1 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -129.5 | 86.6 | 174.1 | -68.9 | 176.3 | 0 | 0 | 0 | 112.1 | | |
| 107 | R | 49 | Very low | 44.3 | Very low | 234 Ų | 234 | 144.4 Ų | 144.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -141.9 | 81.2 | 157.9 | -81.4 | -164.3 | 163.6 | -160.6 | -3.8 | 110.6 | | |
| 108 | S | 44.8 | Very low | 44.1 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -176.9 | 124 | 166.4 | 57.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 109 | V | 47.8 | Very low | 43.9 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | cis | -161.1 | 118.3 | 24 | 173.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 110 | F | 45.3 | Very low | 43.6 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | | | trans | -126.5 | 100.7 | 155.8 | -103.6 | -85.3 | 0 | 0 | 0 | 105.1 | | |
| 111 | L | 43.1 | Very low | 43.3 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | 173.7 | 113.4 | 153.2 | -93.4 | 163.2 | 0 | 0 | 0 | 107.9 | | |
| 112 | G | 32.5 | Very low | 42.5 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 175 | 68.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 113 | W | 43.2 | Very low | 42.9 | Very low | 256 Ų | 256 | 147.9 Ų | 147.9 | 97% | 0.97 | 81% | 0.814 | S | S | * | * | | | trans | -85.9 | 121.6 | 162.8 | -103.2 | 74.2 | 0 | 0 | 0 | 108.7 | | |
| 114 | G | 33.6 | Very low | 42.7 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | 150.8 | 70.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 115 | H | 41.7 | Very low | 42.8 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | | | trans | 21.2 | 140.5 | 153.8 | -72.2 | 97.5 | 0 | 0 | 0 | 120.6 | | |
| 116 | P | 48.5 | Very low | 43 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | | | | -150 | -177.5 | 57.4 | 34.5 | -11 | 0 | 0 | 0 | 116.1 | | |
| 117 | Q | 33.6 | Very low | 42.5 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | | | trans | 94.6 | 98.5 | 158.8 | -59.4 | -154.1 | 72.6 | 0 | 0 | 118.3 | A119 | Q117-A119 VanDerWaalsContact C-N 3.34Å; Q117-A119 PolarHBondContact O-N 3.25Å |
| 118 | L | 46.6 | Very low | 42.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | | -31.2 | 101.6 | 122.5 | -98.7 | 103 | 0 | 0 | 0 | 110.7 | | |
| 119 | A | 38.8 | Very low | 42.2 | Very low | 78 Ų | 78 | 147 Ų | 147 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | | | trans | -134.8 | 84.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q117 A121 | Q117-A119 VanDerWaalsContact C-N 3.34Å; Q117-A119 PolarHBondContact O-N 3.25Å; A119-A121 PolarHBondContact O-N 2.8Å |
| 120 | M | 44.1 | Very low | 41.8 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | -44.1 | 109.8 | 149.9 | -94.5 | 158 | 159.9 | 0 | 0 | 108.5 | | |
| 121 | A | 42.3 | Very low | 41.7 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | -151.6 | 84.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A119 | A119-A121 PolarHBondContact O-N 2.8Š|
| 122 | M | 40.3 | Very low | 41.8 | Very low | 181 Ų | 181 | 140 Ų | 140 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | 50.7 | 108.8 | 138.1 | -56.2 | -142.8 | -88.6 | 0 | 0 | 118.4 | Q124 | M122-Q124 PolarHBondContact O-N 3.41Š|
| 123 | S | 49.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | 9.8 | 104.3 | 125.6 | -178 | 0 | 0 | 0 | 0 | 114.8 | | |
| 124 | Q | 38.8 | Very low | 42.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | -149.1 | 104.4 | 145.5 | -74.7 | -159.3 | -11 | 0 | 0 | 108.6 | M122 P126 | M122-Q124 PolarHBondContact O-N 3.41Å; Q124-P126 WeakPolarHBondContact O-CD 3.38Å |
| 125 | E | 46.3 | Very low | 42.9 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -66 | 129.9 | 159.8 | -55.8 | -166.6 | 122.8 | 0 | 0 | 108.8 | L127 | E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 2.9Å |
| 126 | P | 45.2 | Very low | 42.5 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -88.1 | 85.6 | 158.1 | 30.8 | -27.2 | 0 | 0 | 0 | 108.9 | Q124 V128 | Q124-P126 WeakPolarHBondContact O-CD 3.38Å; P126-V128 PolarHBondContact O-N 3.45Å |
| 127 | L | 37.8 | Very low | 42.3 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | | | trans | -4.6 | 113.7 | 139 | -167.4 | 73.5 | 0 | 0 | 0 | 114.3 | E125 I129 | E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 2.9Å; L127-I129 HydrophobicContact CD2-CD1 3.56Å; L127-I129 HydrophobicContact CD2-CG1 3.83Å; L127-I129 HydrophobicContact CG-CD1 4.22Å; L127-I129 HydrophobicContact CG-CG1 3.91Å; L127-I129 PolarHBondContact O-N 3.1Å; L127-I129 VanDerWaalsContact O-N 3.13Å |
| 128 | V | 46.8 | Very low | 42.4 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | | | trans | -61.7 | 107.9 | 165.4 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | P126 | P126-V128 PolarHBondContact O-N 3.45Š|
| 129 | I | 40.3 | Very low | 42.8 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 72% | 0.723 | 82% | 0.819 | S | S | * | * | | | trans | -121.2 | 115.5 | 164.4 | -58.8 | -179.2 | 0 | 0 | 0 | 106.9 | L127 | L127-I129 HydrophobicContact CD2-CD1 3.56Å; L127-I129 HydrophobicContact CD2-CG1 3.83Å; L127-I129 HydrophobicContact CG-CD1 4.22Å; L127-I129 HydrophobicContact CG-CG1 3.91Å; L127-I129 PolarHBondContact O-N 3.1Å; L127-I129 VanDerWaalsContact O-N 3.13Å |
| 130 | G | 40 | Very low | 43 | Very low | 58 Ų | 58 | 144.3 Ų | 144.3 | 60% | 0.598 | 83% | 0.828 | S | S | * | * | | | trans | -72.7 | 156.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 131 | L | 43 | Very low | 43 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -136.8 | 118.7 | 138.5 | -75.6 | 177.6 | 0 | 0 | 0 | 108.1 | | |
| 132 | T | 44.5 | Very low | 43 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -55.9 | 126.9 | 172 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 133 | F | 42.7 | Very low | 43.2 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | trans | -138.9 | 105.8 | 149.2 | -126.8 | -89.4 | 0 | 0 | 0 | 108.8 | | |
| 134 | S | 43.9 | Very low | 42.8 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | | | trans | -97.8 | 119 | 171.1 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 135 | P | 46.4 | Very low | 43.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | | | trans | -111.7 | 101.2 | 142.5 | 31.2 | -19.8 | 0 | 0 | 0 | 105.3 | | |
| 136 | G | 33.4 | Very low | 42.8 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | | | | 88.2 | 88.7 | 81.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q138 | G136-Q138 PolarHBondContact O-N 3.12Š|
| 137 | L | 43.5 | Very low | 42.6 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | -45.6 | 127.3 | 162.3 | -99.9 | 120.5 | 0 | 0 | 0 | 110.1 | | |
| 138 | Q | 35.8 | Very low | 43 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | | | trans | -146.6 | 145.1 | 135.9 | -74.6 | -158.3 | 46.7 | 0 | 0 | 110 | G136 | G136-Q138 PolarHBondContact O-N 3.12Š|
| 139 | P | 56.4 | Low | 42.7 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 100% | 1.253 | 83% | 0.831 | S | S | * | * | | | trans | -69.5 | 0 | 163.5 | 32 | -34.4 | 0 | 0 | 0 | 112.7 | | |