| 1 | M | 41.1 | Very low | 69.7 | Low | 255 Ų | 255 | 155.8 Ų | 155.8 | 100% | 1.256 | 82% | 0.821 | S | S | * | * | | | | 0 | 133 | 0 | -78.7 | 175.9 | 146.4 | 0 | 0 | 108 | | |
| 2 | A | 67.8 | Low | 70.4 | Confident | 95 Ų | 95 | 153.7 Ų | 153.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | -120.7 | 129.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 3 | L | 71.3 | Confident | 70.9 | Confident | 158 Ų | 158 | 159.5 Ų | 159.5 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | | | trans | -84.2 | 113.4 | 176.9 | -177.2 | 65.9 | 0 | 0 | 0 | 108.7 | I5 | L3-I5 HydrophobicContact CG-CG1 4.47Š|
| 4 | V | 71.1 | Confident | 71.3 | Confident | 123 Ų | 123 | 160.4 Ų | 160.4 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | | | trans | -92.8 | 110.4 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 5 | I | 75.3 | Confident | 71.7 | Confident | 133 Ų | 133 | 157.7 Ų | 157.7 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | | | trans | -88.4 | 111.5 | 175.8 | -57.8 | 175.3 | 0 | 0 | 0 | 107.9 | L3 V7 | L3-I5 HydrophobicContact CG-CG1 4.47Å; I5-V7 PolarHBondContact O-N 3.16Å; I5-V7 VanDerWaalsContact O-N 3.16Å |
| 6 | Q | 73.4 | Confident | 71.8 | Confident | 183 Ų | 183 | 162.1 Ų | 162.1 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -72.6 | 105.4 | 171.4 | -72.6 | -174.6 | 31.5 | 0 | 0 | 109.2 | G8 | Q6-G8 PolarHBondContact O-N 3.17Š|
| 7 | V | 71.9 | Confident | 72.1 | Confident | 115 Ų | 115 | 159.3 Ų | 159.3 | 70% | 0.697 | 81% | 0.814 | S | S | * | * | | | trans | -76.3 | 102.6 | 171.3 | -167.6 | 0 | 0 | 0 | 0 | 107 | I5 L10 | I5-V7 PolarHBondContact O-N 3.16Å; I5-V7 VanDerWaalsContact O-N 3.16Å; V7-L10 HydrophobicContact CG1-CD1 4.32Å; V7-L10 HydrophobicContact CG1-CG 4.46Å |
| 8 | G | 75.5 | Confident | 72.2 | Confident | 57 Ų | 57 | 157.2 Ų | 157.2 | 59% | 0.588 | 81% | 0.812 | S | S | * | * | | | trans | -56.7 | 158.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q6 L10 | Q6-G8 PolarHBondContact O-N 3.17Å; G8-L10 PolarHBondContact O-N 2.9Å |
| 9 | K | 73.5 | Confident | 72.4 | Confident | 213 Ų | 213 | 158.6 Ų | 158.6 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | | | trans | -54.9 | 107.4 | -177.3 | -67 | -175.2 | 179.3 | 179.7 | 0 | 110.8 | R11 | K9-R11 PolarHBondContact O-N 3.15Š|
| 10 | L | 70 | Confident | 72.2 | Confident | 153 Ų | 153 | 157.5 Ų | 157.5 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | | | trans | -66 | 113.1 | 173.5 | -72.3 | 164.6 | 0 | 0 | 0 | 108 | V7 G8 | V7-L10 HydrophobicContact CG1-CD1 4.32Å; V7-L10 HydrophobicContact CG1-CG 4.46Å; G8-L10 PolarHBondContact O-N 2.9Å |
| 11 | R | 76.4 | Confident | 72.1 | Confident | 229 Ų | 229 | 156.1 Ų | 156.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 139 | 173.1 | -64 | -175.6 | -175.6 | -174.2 | 1 | 108.5 | K9 R13 | K9-R11 PolarHBondContact O-N 3.15Å; R11-R13 PolarHBondContact O-N 3.19Å; R11-R13 VanDerWaalsContact O-N 3.15Å |
| 12 | P | 77.5 | Confident | 73.2 | Confident | 130 Ų | 130 | 148.3 Ų | 148.3 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.5 | 170.2 | -24.5 | 34 | 0 | 0 | 0 | 109.3 | E14 | P12-E14 PolarHBondContact O-N 3.13Š|
| 13 | R | 77.3 | Confident | 72.9 | Confident | 229 Ų | 229 | 148.2 Ų | 148.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.7 | 176.5 | -178 | 171.5 | 178.2 | 139.3 | -2.8 | 107.6 | R11 V15 | R11-R13 PolarHBondContact O-N 3.19Å; R11-R13 VanDerWaalsContact O-N 3.15Å; R13-V15 PolarHBondContact O-N 3.49Å; R13-V15 VanDerWaalsContact O-N 3.08Å |
| 14 | E | 75.9 | Confident | 72.4 | Confident | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -64 | 111.1 | 172.3 | -168.9 | 179.8 | 168.1 | 0 | 0 | 108.4 | P12 R16 | P12-E14 PolarHBondContact O-N 3.13Å; E14-R16 PolarHBondContact O-N 3.08Å |
| 15 | V | 77.4 | Confident | 71.8 | Confident | 119 Ų | 119 | 144.6 Ų | 144.6 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | trans | -87.6 | 107.5 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | R13 T17 | R13-V15 PolarHBondContact O-N 3.49Å; R13-V15 VanDerWaalsContact O-N 3.08Å; V15-T17 PolarHBondContact O-N 3.29Å; V15-T17 VanDerWaalsContact O-N 3.13Å |
| 16 | R | 73 | Confident | 71.3 | Confident | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -63.8 | 114.3 | 170 | -79.9 | -174.2 | 177.5 | 178.7 | -0.7 | 108.5 | E14 | E14-R16 PolarHBondContact O-N 3.08Š|
| 17 | T | 77.1 | Confident | 70.8 | Confident | 115 Ų | 115 | 141.8 Ų | 141.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129.3 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | V15 Q19 | V15-T17 PolarHBondContact O-N 3.29Å; V15-T17 VanDerWaalsContact O-N 3.13Å; T17-Q19 PolarHBondContact O-N 3.22Å |
| 18 | P | 74.7 | Confident | 70.6 | Confident | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.5 | 170 | 22.2 | -28.8 | 0 | 0 | 0 | 108.4 | T20 | P18-T20 PolarHBondContact O-N 3.25Š|
| 19 | Q | 74.8 | Confident | 70 | Confident | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 118.6 | 178.3 | -68.6 | 178.5 | -18 | 0 | 0 | 108.2 | T17 I21 | T17-Q19 PolarHBondContact O-N 3.22Å; Q19-I21 PolarHBondContact O-N 3.05Å |
| 20 | T | 69 | Low | 69.5 | Low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -62.8 | 109.3 | 171.3 | -55.3 | 0 | 0 | 0 | 0 | 108.2 | P18 N22 | P18-T20 PolarHBondContact O-N 3.25Å; T20-N22 PolarHBondContact O-N 3.36Å |
| 21 | I | 71.1 | Confident | 69.1 | Low | 128 Ų | 128 | 138.6 Ų | 138.6 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | | | trans | -64.2 | 125.9 | 172.5 | -60.4 | 174.8 | 0 | 0 | 0 | 106.8 | Q19 L25 | Q19-I21 PolarHBondContact O-N 3.05Å; I21-L25 HydrophobicContact CG2-CB 4.27Å; I21-L25 HydrophobicContact CG2-CD1 3.44Å; I21-L25 VanDerWaalsContact CG2-CD1 3.44Å; I21-L25 HydrophobicContact CG2-CG 4.47Å |
| 22 | N | 63.9 | Low | 68.5 | Low | 91 Ų | 91 | 135.4 Ų | 135.4 | 49% | 0.487 | 72% | 0.724 | S | S | . | * | | | trans | -56.5 | 128 | -176.8 | -170.7 | -21.9 | 0 | 0 | 0 | 109.8 | T20 S24 L25 | T20-N22 PolarHBondContact O-N 3.36Å; N22-S24 PolarHBondContact ND2-OG 3.14Å; N22-S24 PolarHBondContact O-N 2.8Å; N22-S24 WeakPolarHBondContact OD1-CB 3.21Å; N22-S24 PolarHBondContact OD1-N 2.95Å; N22-S24 PolarHBondContact OD1-OG 3.28Å; N22-L25 PolarHBondContact O-N 3.23Å; N22-L25 WeakPolarHBondContact O-CB 3.39Å |
| 23 | P | 60.6 | Low | 67.7 | Low | 94 Ų | 94 | 135.6 Ų | 135.6 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -59.9 | -14.9 | 177.3 | 24 | -34.8 | 0 | 0 | 0 | 113.2 | L25 F26 | P23-L25 PolarHBondContact O-N 2.95Å; P23-F26 WeakPolarHBondContact O-CD2 3.37Å; P23-F26 PolarHBondContact O-N 3.01Å |
| 24 | S | 61.8 | Low | 66.8 | Low | 87 Ų | 87 | 129.2 Ų | 129.2 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -67.7 | -10 | 171.4 | 77.7 | 0 | 0 | 0 | 0 | 114.2 | N22 F26 | N22-S24 PolarHBondContact ND2-OG 3.14Å; N22-S24 PolarHBondContact O-N 2.8Å; N22-S24 WeakPolarHBondContact OD1-CB 3.21Å; N22-S24 PolarHBondContact OD1-N 2.95Å; N22-S24 PolarHBondContact OD1-OG 3.28Å; S24-F26 VanDerWaalsContact C-N 3.3Å |
| 25 | L | 58.7 | Low | 65.9 | Low | 117 Ų | 117 | 125.5 Ų | 125.5 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -84.9 | -3 | 175.8 | -72.1 | 167 | 0 | 0 | 0 | 113.2 | I21 N22 P23 P27 | I21-L25 HydrophobicContact CG2-CB 4.27Å; I21-L25 HydrophobicContact CG2-CD1 3.44Å; I21-L25 VanDerWaalsContact CG2-CD1 3.44Å; I21-L25 HydrophobicContact CG2-CG 4.47Å; N22-L25 PolarHBondContact O-N 3.23Å; N22-L25 WeakPolarHBondContact O-CB 3.39Å; P23-L25 PolarHBondContact O-N 2.95Å; L25-P27 WeakPolarHBondContact O-CD 3.46Å |
| 26 | F | 64.6 | Low | 65.1 | Low | 160 Ų | 160 | 125 Ų | 125 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -80.9 | 103.6 | 163 | -65.3 | -76.7 | 0 | 0 | 0 | 107.1 | P23 S24 S28 | P23-F26 WeakPolarHBondContact O-CD2 3.37Å; P23-F26 PolarHBondContact O-N 3.01Å; S24-F26 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 3.06Å; F26-S28 VanDerWaalsContact O-N 3.14Å |
| 27 | P | 62.6 | Low | 64.5 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | | | trans | -54.3 | 129.5 | 164.5 | 25 | -32.3 | 0 | 0 | 0 | 106 | L25 L29 | L25-P27 WeakPolarHBondContact O-CD 3.46Å; P27-L29 HydrophobicContact CG-CG 4.42Å; P27-L29 PolarHBondContact O-N 3.23Å |
| 28 | S | 66.6 | Low | 63.8 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | | | trans | -62.5 | 81.3 | 168.6 | 56.7 | 0 | 0 | 0 | 0 | 106.9 | F26 P30 | F26-S28 PolarHBondContact O-N 3.06Å; F26-S28 VanDerWaalsContact O-N 3.14Å; S28-P30 WeakPolarHBondContact O-CD 3.26Å; S28-P30 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 63.3 | Low | 63.3 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | | | trans | -61.2 | 117.4 | 174 | -81.6 | 162.5 | 0 | 0 | 0 | 105.2 | P27 V31 | P27-L29 HydrophobicContact CG-CG 4.42Å; P27-L29 PolarHBondContact O-N 3.23Å; L29-V31 PolarHBondContact O-N 3.35Å |
| 30 | P | 62.5 | Low | 62.3 | Low | 124 Ų | 124 | 119.2 Ų | 119.2 | 81% | 0.805 | 68% | 0.677 | S | S | * | * | | | trans | -68.4 | 92.8 | 172 | 27.6 | -29.8 | 0 | 0 | 0 | 106.4 | S28 K32 | S28-P30 WeakPolarHBondContact O-CD 3.26Å; S28-P30 VanDerWaalsContact O-N 3.15Å; P30-K32 PolarHBondContact O-N 3.43Å |
| 31 | V | 62.7 | Low | 61.8 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 58% | 0.582 | 68% | 0.675 | S | S | * | * | | | trans | -67.8 | 104.3 | 174 | -170.7 | 0 | 0 | 0 | 0 | 105.9 | L29 L33 I36 | L29-V31 PolarHBondContact O-N 3.35Å; V31-L33 PolarHBondContact O-N 3.18Å; V31-I36 HydrophobicContact CG1-CD1 3.94Å; V31-I36 HydrophobicContact CG1-CG1 4.23Å |
| 32 | K | 64.3 | Low | 61.3 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | | | trans | -61.2 | 112.1 | 173.2 | -126.8 | 175.8 | -176.6 | 177.2 | 0 | 106.7 | P30 S34 S35 | P30-K32 PolarHBondContact O-N 3.43Å; K32-S34 PolarHBondContact O-N 3.21Å; K32-S35 VanDerWaalsContact O-CB 3.26Å; K32-S35 WeakPolarHBondContact O-CB 3.02Å; K32-S35 PolarHBondContact O-N 2.85Å |
| 33 | L | 59.5 | Low | 60.8 | Low | 134 Ų | 134 | 120 Ų | 120 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -56.2 | -21.3 | -179.8 | -66.6 | 174.9 | 0 | 0 | 0 | 112.8 | V31 S35 I36 | V31-L33 PolarHBondContact O-N 3.18Å; L33-S35 PolarHBondContact O-N 3Å; L33-I36 HydrophobicContact CD2-CD1 3.9Å; L33-I36 PolarHBondContact O-N 3.07Å |
| 34 | S | 58.8 | Low | 60.6 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -63.8 | -13.8 | 171.5 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | K32 | K32-S34 PolarHBondContact O-N 3.21Š|
| 35 | S | 57.9 | Low | 60.6 | Low | 94 Ų | 94 | 123.4 Ų | 123.4 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -90.4 | -13.1 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | K32 L33 | K32-S35 VanDerWaalsContact O-CB 3.26Å; K32-S35 WeakPolarHBondContact O-CB 3.02Å; K32-S35 PolarHBondContact O-N 2.85Å; L33-S35 PolarHBondContact O-N 3Å |
| 36 | I | 59.7 | Low | 60.7 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 56% | 0.564 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -16.2 | -173.1 | -56.3 | -179.4 | 0 | 0 | 0 | 111.1 | V31 L33 | V31-I36 HydrophobicContact CG1-CD1 3.94Å; V31-I36 HydrophobicContact CG1-CG1 4.23Å; L33-I36 HydrophobicContact CD2-CD1 3.9Å; L33-I36 PolarHBondContact O-N 3.07Å |
| 37 | I | 59.9 | Low | 60.2 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 64% | 0.641 | 74% | 0.736 | S | S | * | * | | | trans | -107.7 | 70.6 | -177.9 | -45.3 | 175.5 | 0 | 0 | 0 | 108.8 | V39 | I37-V39 HydrophobicContact CG2-CG2 3.51Å; I37-V39 PolarHBondContact O-N 2.97Å |
| 38 | E | 62 | Low | 59.4 | Low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -79.6 | 99.3 | 145.6 | -86.5 | -174.4 | 159.8 | 0 | 0 | 106.2 | P40 | E38-P40 WeakPolarHBondContact O-CD 3.2Š|
| 39 | V | 65.2 | Low | 59.1 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -68.1 | 116.4 | 166.9 | -175.8 | 0 | 0 | 0 | 0 | 106.5 | I37 S41 | I37-V39 HydrophobicContact CG2-CG2 3.51Å; I37-V39 PolarHBondContact O-N 2.97Å; V39-S41 PolarHBondContact O-N 2.79Å |
| 40 | P | 53.8 | Low | 58.9 | Low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | trans | -67.7 | 105.4 | 167.2 | 27.3 | -29.6 | 0 | 0 | 0 | 107.2 | E38 A42 | E38-P40 WeakPolarHBondContact O-CD 3.2Å; P40-A42 HydrophobicContact CB-CB 4.41Å; P40-A42 PolarHBondContact O-N 2.67Å |
| 41 | S | 59 | Low | 58.7 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -69.2 | 59 | 166.3 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | V39 | V39-S41 PolarHBondContact O-N 2.79Š|
| 42 | A | 59.5 | Low | 58.4 | Low | 87 Ų | 87 | 138.1 Ų | 138.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | trans | -121.9 | 21.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P40 | P40-A42 HydrophobicContact CB-CB 4.41Å; P40-A42 PolarHBondContact O-N 2.67Å |
| 43 | L | 54.5 | Low | 58.1 | Low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -121.9 | 20.3 | 179.3 | -127.3 | 143.6 | 0 | 0 | 0 | 112.8 | | |
| 44 | A | 56.3 | Low | 58 | Low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -106.7 | 28.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 45 | L | 61 | Low | 57.9 | Low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -133.8 | 20.4 | -177.8 | -98.5 | 172.3 | 0 | 0 | 0 | 114.2 | | |
| 46 | L | 62.3 | Low | 57.9 | Low | 167 Ų | 167 | 143.2 Ų | 143.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -148 | 66.2 | 173.6 | -69.3 | 174.5 | 0 | 0 | 0 | 110.4 | | |
| 47 | D | 52.2 | Low | 57.8 | Low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | -167.8 | 113.3 | 140.8 | -133.8 | -128.4 | 0 | 0 | 0 | 108.1 | | |
| 48 | E | 47.7 | Very low | 57.6 | Low | 271 Ų | 271 | 147.8 Ų | 147.8 | 100% | 1.266 | 84% | 0.84 | S | S | * | * | | | trans | 56.1 | 0 | 179.6 | -76.7 | -159.8 | 98.9 | 0 | 0 | 120.8 | | |