| 1 | M | 40.7 | Very low | 55.8 | Low | 244 Ų | 244 | 129 Ų | 129 | 100% | 1.202 | 74% | 0.741 | S | S | * | * | | | | 0 | 101.3 | 0 | -73.7 | 175.3 | 164.3 | 0 | 0 | 107.6 | S3 | M1-S3 VanDerWaalsContact O-N 3.12Å; M1-S3 PolarHBondContact O-N 3.18Å |
| 2 | A | 50.1 | Low | 56.2 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 93% | 0.926 | 75% | 0.746 | S | S | * | * | | | trans | -76.4 | 94.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 3 | S | 52.3 | Low | 56.9 | Low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | trans | -113.5 | 65.2 | 159.8 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | M1 S5 | M1-S3 VanDerWaalsContact O-N 3.12Å; M1-S3 PolarHBondContact O-N 3.18Å; S3-S5 PolarHBondContact O-N 2.91Å |
| 4 | N | 54.3 | Low | 57.1 | Low | 152 Ų | 152 | 120.4 Ų | 120.4 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | | | trans | -74.8 | 74.6 | 161.3 | -170.3 | 44.2 | 0 | 0 | 0 | 105.3 | T6 | N4-T6 PolarHBondContact O-N 3.09Š|
| 5 | S | 56.3 | Low | 57.4 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | | | trans | -39.9 | 109.3 | 166 | 179.7 | 0 | 0 | 0 | 0 | 105.8 | S3 K7 | S3-S5 PolarHBondContact O-N 2.91Å; S5-K7 PolarHBondContact O-N 2.94Å |
| 6 | T | 59 | Low | 58.2 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | | | trans | -49.1 | 94.1 | 171.7 | -36.1 | 0 | 0 | 0 | 0 | 105.4 | N4 S8 | N4-T6 PolarHBondContact O-N 3.09Å; T6-S8 VanDerWaalsContact C-N 3.29Å; T6-S8 PolarHBondContact O-N 3.35Å |
| 7 | K | 59.2 | Low | 58.9 | Low | 177 Ų | 177 | 120.6 Ų | 120.6 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | | | trans | -57.6 | 108.8 | 170.4 | -77.2 | -175.3 | 178.2 | -173.4 | 0 | 102.2 | S5 F9 | S5-K7 PolarHBondContact O-N 2.94Å; K7-F9 PolarHBondContact O-N 3Å |
| 8 | S | 64.1 | Low | 59.7 | Low | 62 Ų | 62 | 122.5 Ų | 122.5 | 43% | 0.434 | 71% | 0.705 | S | S | . | * | | | trans | -49.2 | 130.1 | -176.4 | 50.6 | 0 | 0 | 0 | 0 | 106.2 | T6 L10 A11 | T6-S8 VanDerWaalsContact C-N 3.29Å; T6-S8 PolarHBondContact O-N 3.35Å; S8-L10 PolarHBondContact O-N 3.48Å; S8-A11 WeakPolarHBondContact O-CB 3.2Å; S8-A11 PolarHBondContact O-N 3.05Å |
| 9 | F | 61.6 | Low | 60.4 | Low | 187 Ų | 187 | 125.8 Ų | 125.8 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -50.1 | -27.1 | -177.3 | 169.7 | -98.6 | 0 | 0 | 0 | 112.6 | K7 A11 | K7-F9 PolarHBondContact O-N 3Å; F9-A11 PolarHBondContact O-N 3.41Å |
| 10 | L | 55.2 | Low | 60.9 | Low | 97 Ų | 97 | 127.3 Ų | 127.3 | 51% | 0.508 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -60.9 | -35.2 | 172.2 | -75.8 | 143.7 | 0 | 0 | 0 | 114.3 | S8 | S8-L10 PolarHBondContact O-N 3.48Å |
| 11 | A | 61.5 | Low | 61.7 | Low | 66 Ų | 66 | 125.8 Ų | 125.8 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -72.6 | -28.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S8 F9 | S8-A11 WeakPolarHBondContact O-CB 3.2Å; S8-A11 PolarHBondContact O-N 3.05Å; F9-A11 PolarHBondContact O-N 3.41Å |
| 12 | D | 60.1 | Low | 63.2 | Low | 148 Ų | 148 | 117.8 Ų | 117.8 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82.3 | -23.4 | -175.8 | -152.6 | 37.1 | 0 | 0 | 0 | 112.6 | G14 | D12-G14 VanDerWaalsContact C-N 3.32Å |
| 13 | A | 65.2 | Low | 64.2 | Low | 49 Ų | 49 | 118.6 Ų | 118.6 | 41% | 0.405 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.9 | 7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y15 | A13-Y15 VanDerWaalsContact O-CD2 3.3Å; A13-Y15 VanDerWaalsContact O-N 3.07Å; A13-Y15 PolarHBondContact O-N 2.94Å; A13-Y15 WeakPolarHBondContact O-CE2 3.47Å; A13-Y15 WeakPolarHBondContact O-CD2 2.98Å; A13-Y15 HydrophobicContact CB-CG 4.43Å; A13-Y15 HydrophobicContact CB-CE2 3.63Å; A13-Y15 HydrophobicContact CB-CD2 3.33Å |
| 14 | G | 59.9 | Low | 64.8 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D12 G16 | D12-G14 VanDerWaalsContact C-N 3.32Å; G14-G16 PolarHBondContact O-N 3.41Å |
| 15 | Y | 61.5 | Low | 65.3 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 59% | 0.592 | 66% | 0.657 | S | S | * | * | | | trans | -83.1 | 75.1 | 174.9 | -58.3 | -64.9 | 0 | 0 | 0 | 108.2 | A13 | A13-Y15 VanDerWaalsContact O-CD2 3.3Å; A13-Y15 VanDerWaalsContact O-N 3.07Å; A13-Y15 PolarHBondContact O-N 2.94Å; A13-Y15 WeakPolarHBondContact O-CE2 3.47Å; A13-Y15 WeakPolarHBondContact O-CD2 2.98Å; A13-Y15 HydrophobicContact CB-CG 4.43Å; A13-Y15 HydrophobicContact CB-CE2 3.63Å; A13-Y15 HydrophobicContact CB-CD2 3.33Å |
| 16 | G | 71 | Confident | 66 | Low | 56 Ų | 56 | 116.8 Ų | 116.8 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | | | trans | -56.3 | 161.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G14 Q18 | G14-G16 PolarHBondContact O-N 3.41Å; G16-Q18 PolarHBondContact O-N 3.45Å |
| 17 | E | 70.2 | Confident | 66.6 | Low | 158 Ų | 158 | 118.7 Ų | 118.7 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | | | trans | -49.2 | 115.7 | -179.2 | -50.2 | -59.3 | 155.8 | 0 | 0 | 110.4 | E19 | E17-E19 PolarHBondContact O-N 2.96Š|
| 18 | Q | 72.5 | Confident | 67.2 | Low | 155 Ų | 155 | 118.1 Ų | 118.1 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | | | trans | -81.1 | 100.1 | 174.4 | -69.8 | -178.9 | 19.1 | 0 | 0 | 107.7 | G16 L20 | G16-Q18 PolarHBondContact O-N 3.45Å; Q18-L20 PolarHBondContact O-N 3.31Å; Q18-L20 VanDerWaalsContact O-N 3.13Å |
| 19 | E | 73.9 | Confident | 67.5 | Low | 186 Ų | 186 | 123.8 Ų | 123.8 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | | | trans | -65.3 | 111.5 | 173.5 | -64.6 | 178.7 | -172.2 | 0 | 0 | 108.8 | E17 D21 | E17-E19 PolarHBondContact O-N 2.96Å; E19-D21 PolarHBondContact O-N 3.06Å |
| 20 | L | 70.3 | Confident | 67.9 | Low | 154 Ų | 154 | 121.3 Ų | 121.3 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | | | trans | -71.7 | 124.7 | 173.3 | -65.3 | 174.6 | 0 | 0 | 0 | 108.7 | Q18 A22 | Q18-L20 PolarHBondContact O-N 3.31Å; Q18-L20 VanDerWaalsContact O-N 3.13Å; L20-A22 PolarHBondContact O-N 2.98Å |
| 21 | D | 76.7 | Confident | 68.3 | Low | 96 Ų | 96 | 126 Ų | 126 | 51% | 0.513 | 70% | 0.701 | S | S | . | * | | | trans | -64.2 | 125.3 | 172.6 | -177.4 | 4.5 | 0 | 0 | 0 | 109.1 | E19 N23 S24 | E19-D21 PolarHBondContact O-N 3.06Å; D21-N23 PolarHBondContact OD2-ND2 3.13Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD1-N 3.12Å; D21-N23 VanDerWaalsContact O-N 3.07Å; D21-N23 PolarHBondContact O-N 2.7Å; D21-N23 VanDerWaalsContact OD1-N 3.08Å; D21-S24 WeakPolarHBondContact O-CB 3.36Å; D21-S24 PolarHBondContact O-N 2.92Å; D21-S24 PolarHBondContact O-OG 3.08Å |
| 22 | A | 72.6 | Confident | 68.4 | Low | 77 Ų | 77 | 130.8 Ų | 130.8 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -57 | -23.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L20 S24 A25 | L20-A22 PolarHBondContact O-N 2.98Å; A22-S24 VanDerWaalsContact C-N 3.27Å; A22-S24 PolarHBondContact O-N 3.07Å; A22-A25 PolarHBondContact O-N 2.67Å |
| 23 | N | 71.2 | Confident | 68.5 | Low | 129 Ų | 129 | 126.6 Ų | 126.6 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -70.2 | -21.6 | 176.9 | -58.2 | -43.7 | 0 | 0 | 0 | 113.3 | D21 | D21-N23 PolarHBondContact OD2-ND2 3.13Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD1-N 3.12Å; D21-N23 VanDerWaalsContact O-N 3.07Å; D21-N23 PolarHBondContact O-N 2.7Å; D21-N23 VanDerWaalsContact OD1-N 3.08Å |
| 24 | S | 65.1 | Low | 68.1 | Low | 75 Ų | 75 | 130.1 Ų | 130.1 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | G | 310 helix | trans | -79.8 | -17.3 | 179.6 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | D21 A22 L26 | D21-S24 WeakPolarHBondContact O-CB 3.36Å; D21-S24 PolarHBondContact O-N 2.92Å; D21-S24 PolarHBondContact O-OG 3.08Å; A22-S24 VanDerWaalsContact C-N 3.27Å; A22-S24 PolarHBondContact O-N 3.07Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.85Å |
| 25 | A | 64.9 | Low | 68.1 | Low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -76.7 | -13 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A22 | A22-A25 PolarHBondContact O-N 2.67Š|
| 26 | L | 70.4 | Confident | 68.1 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -102.9 | 31.5 | -170.8 | -100.7 | 166.7 | 0 | 0 | 0 | 113.5 | S24 E28 | S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.85Å; L26-E28 PolarHBondContact O-N 3.18Å |
| 27 | M | 71.1 | Confident | 67.7 | Low | 170 Ų | 170 | 132 Ų | 132 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | | | trans | -79.9 | 81.1 | 172.1 | -150.7 | 173.1 | -65.4 | 0 | 0 | 108.8 | L29 | M27-L29 PolarHBondContact O-N 2.92Š|
| 28 | E | 72.3 | Confident | 67.4 | Low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | | | trans | -54.8 | 125.5 | 179 | 55 | -169.4 | -168.6 | 0 | 0 | 111.5 | L26 D30 | L26-E28 PolarHBondContact O-N 3.18Å; E28-D30 PolarHBondContact O-N 2.77Å |
| 29 | L | 69.9 | Low | 67.2 | Low | 182 Ų | 182 | 131.4 Ų | 131.4 | 95% | 0.953 | 74% | 0.736 | S | S | * | * | | | trans | -72.4 | 91.4 | 174.1 | -66.8 | 167.3 | 0 | 0 | 0 | 108.3 | M27 | M27-L29 PolarHBondContact O-N 2.92Š|
| 30 | D | 69.8 | Low | 66.8 | Low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | -114.2 | 111.2 | 169.1 | -152.8 | 24.7 | 0 | 0 | 0 | 110.1 | E28 | E28-D30 PolarHBondContact O-N 2.77Š|
| 31 | K | 64 | Low | 66.1 | Low | 194 Ų | 194 | 130.6 Ų | 130.6 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -172.2 | 0.1 | 153.5 | -109.5 | 169.3 | -162.2 | 179.8 | 0 | 117.8 | | |
| 32 | D | 64.2 | Low | 65.2 | Low | 167 Ų | 167 | 135.4 Ų | 135.4 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -123.4 | 26.5 | -178.3 | -63.4 | -35 | 0 | 0 | 0 | 114.4 | | |
| 33 | G | 62.7 | Low | 64.8 | Low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -100.6 | 103 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 34 | V | 55.1 | Low | 64.5 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | 101.8 | 64.9 | 166.4 | -165 | 0 | 0 | 0 | 0 | 114.5 | S36 | V34-S36 PolarHBondContact O-N 3.07Å; V34-S36 VanDerWaalsContact O-N 3.09Å; V34-S36 WeakPolarHBondContact CG1-OG 3.43Å |
| 35 | T | 59.7 | Low | 64.4 | Low | 141 Ų | 141 | 142.4 Ų | 142.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 80.8 | 141.2 | 48.1 | 0 | 0 | 0 | 0 | 108 | P37 | T35-P37 WeakPolarHBondContact O-CD 3.3Š|
| 36 | S | 61.6 | Low | 64.4 | Low | 82 Ų | 82 | 145.5 Ų | 145.5 | 57% | 0.573 | 79% | 0.794 | S | S | * | * | | | trans | -59.2 | 117.9 | 166 | -69.2 | 0 | 0 | 0 | 0 | 108.2 | V34 V38 | V34-S36 PolarHBondContact O-N 3.07Å; V34-S36 VanDerWaalsContact O-N 3.09Å; V34-S36 WeakPolarHBondContact CG1-OG 3.43Å; S36-V38 PolarHBondContact O-N 3.22Å |
| 37 | P | 63.4 | Low | 64 | Low | 93 Ų | 93 | 145.8 Ų | 145.8 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | | | trans | -66.1 | 109.2 | 169.2 | 26.2 | -30.1 | 0 | 0 | 0 | 107.6 | T35 F39 | T35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-F39 HydrophobicContact CB-CD2 4.29Å; P37-F39 HydrophobicContact CB-CE2 3.93Å; P37-F39 HydrophobicContact CB-CZ 4.25Å; P37-F39 HydrophobicContact CG-CD2 4.26Å; P37-F39 HydrophobicContact CG-CE2 3.64Å; P37-F39 HydrophobicContact CG-CZ 4.2Å; P37-F39 PolarHBondContact O-N 3.49Å |
| 38 | V | 64.6 | Low | 63.6 | Low | 118 Ų | 118 | 144.2 Ų | 144.2 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | | | trans | -69 | 91.5 | 166.2 | -178.5 | 0 | 0 | 0 | 0 | 106.2 | S36 Q40 | S36-V38 PolarHBondContact O-N 3.22Å; V38-Q40 VanDerWaalsContact C-N 3.28Å; V38-Q40 HydrophobicContact CG1-CG 3.73Å; V38-Q40 PolarHBondContact O-N 3.01Å |
| 39 | F | 67.4 | Low | 62.9 | Low | 182 Ų | 182 | 142.7 Ų | 142.7 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -67.2 | 93.2 | 164.3 | -67.9 | -79.5 | 0 | 0 | 0 | 107.3 | P37 N41 | P37-F39 HydrophobicContact CB-CD2 4.29Å; P37-F39 HydrophobicContact CB-CE2 3.93Å; P37-F39 HydrophobicContact CB-CZ 4.25Å; P37-F39 HydrophobicContact CG-CD2 4.26Å; P37-F39 HydrophobicContact CG-CE2 3.64Å; P37-F39 HydrophobicContact CG-CZ 4.2Å; P37-F39 PolarHBondContact O-N 3.49Å; F39-N41 PolarHBondContact O-N 3.07Å |
| 40 | Q | 65.8 | Low | 62.4 | Low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 103.2 | 164.1 | -66.4 | -142.2 | 32.3 | 0 | 0 | 107.4 | V38 | V38-Q40 VanDerWaalsContact C-N 3.28Å; V38-Q40 HydrophobicContact CG1-CG 3.73Å; V38-Q40 PolarHBondContact O-N 3.01Å |
| 41 | N | 55.8 | Low | 61.8 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -83.5 | 112.3 | 173.3 | -175.6 | 83.2 | 0 | 0 | 0 | 109.1 | F39 | F39-N41 PolarHBondContact O-N 3.07Š|
| 42 | T | 57.1 | Low | 61.6 | Low | 197 Ų | 197 | 135.2 Ų | 135.2 | 100% | 1.209 | 79% | 0.785 | S | S | * | * | | | trans | 44.3 | 0 | 157.2 | -38.6 | 0 | 0 | 0 | 0 | 118.5 | | |