| 1 | M | 38.3 | Very low | 54.1 | Low | 241 Ų | 241 | 129 Ų | 129 | 100% | 1.187 | 73% | 0.731 | S | S | * | * | | | | 0 | 96.7 | 0 | -172.9 | 162.2 | 160.1 | 0 | 0 | 106.6 | | |
| 2 | L | 44.2 | Very low | 54.5 | Low | 164 Ų | 164 | 126.2 Ų | 126.2 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | | | trans | -99.9 | 99.8 | -178.4 | -93.5 | 136.4 | 0 | 0 | 0 | 107.7 | V4 | L2-V4 HydrophobicContact CD2-CG2 4.34Å; L2-V4 HydrophobicContact CB-CG2 4.42Å; L2-V4 PolarHBondContact O-N 3.01Å |
| 3 | A | 52.4 | Low | 55 | Low | 89 Ų | 89 | 121.8 Ų | 121.8 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | | | trans | -80.1 | 93.8 | 163 | 0 | 0 | 0 | 0 | 0 | 106.8 | T5 | A3-T5 PolarHBondContact O-N 2.73Š|
| 4 | V | 48.8 | Very low | 55.2 | Low | 114 Ų | 114 | 125.1 Ų | 125.1 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | -84.2 | 90.1 | 167.9 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | L2 N6 | L2-V4 HydrophobicContact CD2-CG2 4.34Å; L2-V4 HydrophobicContact CB-CG2 4.42Å; L2-V4 PolarHBondContact O-N 3.01Å; V4-N6 VanDerWaalsContact C-N 3.33Å; V4-N6 PolarHBondContact O-N 3.15Å |
| 5 | T | 53.3 | Low | 55.6 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | trans | -81.9 | 88.6 | 165.8 | 47.7 | 0 | 0 | 0 | 0 | 107.3 | A3 V7 | A3-T5 PolarHBondContact O-N 2.73Å; T5-V7 PolarHBondContact O-N 2.85Å |
| 6 | N | 58.1 | Low | 56.2 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | | | trans | -72.9 | 81 | 168.3 | -154.9 | 25.2 | 0 | 0 | 0 | 107.4 | V4 E8 | V4-N6 VanDerWaalsContact C-N 3.33Å; V4-N6 PolarHBondContact O-N 3.15Å; N6-E8 PolarHBondContact ND2-OE2 3.06Å; N6-E8 PolarHBondContact O-N 2.77Å; N6-E8 VanDerWaalsContact O-N 3.16Å |
| 7 | V | 60.4 | Low | 56 | Low | 126 Ų | 126 | 119.2 Ų | 119.2 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | | | trans | -84.9 | 79 | 167.8 | -174.4 | 0 | 0 | 0 | 0 | 105.4 | T5 D9 | T5-V7 PolarHBondContact O-N 2.85Å; V7-D9 PolarHBondContact O-N 3.31Å |
| 8 | E | 63.1 | Low | 56.4 | Low | 126 Ų | 126 | 115.6 Ų | 115.6 | 59% | 0.589 | 69% | 0.69 | S | S | * | * | | | trans | -61.5 | 123.6 | 168.7 | -70.2 | 170.9 | 120.2 | 0 | 0 | 106.7 | N6 L10 | N6-E8 PolarHBondContact ND2-OE2 3.06Å; N6-E8 PolarHBondContact O-N 2.77Å; N6-E8 VanDerWaalsContact O-N 3.16Å; E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 WeakPolarHBondContact O-CG 3.3Å; E8-L10 PolarHBondContact O-N 3.06Å |
| 9 | D | 61.2 | Low | 56.7 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | | | trans | -63.6 | 87 | -179.6 | -177.7 | 30.5 | 0 | 0 | 0 | 109.7 | V7 S11 S12 | V7-D9 PolarHBondContact O-N 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact O-N 3.25Å; D9-S12 PolarHBondContact O-N 2.64Å |
| 10 | L | 59 | Low | 56.9 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -62 | -14.7 | -178 | -60.6 | 179.6 | 0 | 0 | 0 | 112.4 | E8 S12 L13 | E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 WeakPolarHBondContact O-CG 3.3Å; E8-L10 PolarHBondContact O-N 3.06Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 3.05Å; L10-L13 HydrophobicContact CD2-CD1 3.88Å; L10-L13 PolarHBondContact O-N 3.45Å |
| 11 | S | 56.2 | Low | 57 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -64.8 | -28.8 | 173 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | D9 L13 | D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact O-N 3.25Å; S11-L13 VanDerWaalsContact C-N 3.29Å; S11-L13 PolarHBondContact O-N 3.38Å |
| 12 | S | 59.4 | Low | 57.9 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -78.7 | -13.1 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | D9 L10 | D9-S12 PolarHBondContact O-N 2.64Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 3.05Å |
| 13 | L | 60.5 | Low | 58.4 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 36% | 0.361 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | -17.3 | 179 | -78.2 | 149.5 | 0 | 0 | 0 | 111.7 | L10 S11 G15 V16 H19 | L10-L13 HydrophobicContact CD2-CD1 3.88Å; L10-L13 PolarHBondContact O-N 3.45Å; S11-L13 VanDerWaalsContact C-N 3.29Å; S11-L13 PolarHBondContact O-N 3.38Å; L13-G15 PolarHBondContact O-N 3.22Å; L13-V16 PolarHBondContact O-N 3.49Å; L13-H19 VanDerWaalsContact O-NE2 3.17Å; L13-H19 PolarHBondContact O-NE2 3.02Å; L13-H19 PolarHBondContact O-CD2 3.44Å; L13-H19 HydrophobicContact CB-CB 4.36Å; L13-H19 HydrophobicContact CD2-CB 3.99Å |
| 14 | E | 57.7 | Low | 58.8 | Low | 168 Ų | 168 | 110.3 Ų | 110.3 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 106.9 | -179 | -161.2 | -179 | 168 | 0 | 0 | 110.8 | | |
| 15 | G | 61.6 | Low | 59.1 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.8 | 2.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | L13 P17 | L13-G15 PolarHBondContact O-N 3.22Å; G15-P17 VanDerWaalsContact O-CD 3.3Å; G15-P17 WeakPolarHBondContact O-CD 3.43Å |
| 16 | V | 64.3 | Low | 59.3 | Low | 76 Ų | 76 | 108 Ų | 108 | 46% | 0.461 | 67% | 0.668 | S | S | . | * | | | trans | -87.1 | 108 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L13 G18 H19 | L13-V16 PolarHBondContact O-N 3.49Å; V16-G18 PolarHBondContact O-N 2.96Å; V16-H19 PolarHBondContact O-CD2 2.86Å; V16-H19 PolarHBondContact O-N 3.17Å |
| 17 | P | 54 | Low | 59.7 | Low | 131 Ų | 131 | 107.6 Ų | 107.6 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 118.9 | 179.9 | -19.4 | 32.6 | 0 | 0 | 0 | 110.3 | G15 | G15-P17 VanDerWaalsContact O-CD 3.3Å; G15-P17 WeakPolarHBondContact O-CD 3.43Å |
| 18 | G | 62.4 | Low | 59.3 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.5 | -13 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V16 Q22 | V16-G18 PolarHBondContact O-N 2.96Å; G18-Q22 PolarHBondContact O-NE2 3.26Å |
| 19 | H | 61.7 | Low | 59 | Low | 63 Ų | 63 | 103.7 Ų | 103.7 | 29% | 0.292 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -75 | -28.5 | 176.9 | 74.6 | 63.7 | 0 | 0 | 0 | 113.4 | L13 V16 G21 | L13-H19 VanDerWaalsContact O-NE2 3.17Å; L13-H19 PolarHBondContact O-NE2 3.02Å; L13-H19 PolarHBondContact O-CD2 3.44Å; L13-H19 HydrophobicContact CB-CB 4.36Å; L13-H19 HydrophobicContact CD2-CB 3.99Å; V16-H19 PolarHBondContact O-CD2 2.86Å; V16-H19 PolarHBondContact O-N 3.17Å; H19-G21 VanDerWaalsContact C-N 3.26Å; H19-G21 PolarHBondContact O-N 2.76Å |
| 20 | L | 61.8 | Low | 58.8 | Low | 163 Ų | 163 | 107.2 Ų | 107.2 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -81 | -7.1 | -172 | -165.7 | 61.8 | 0 | 0 | 0 | 112.9 | | |
| 21 | G | 58 | Low | 58.4 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -115.7 | 3.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H19 E23 | H19-G21 VanDerWaalsContact C-N 3.26Å; H19-G21 PolarHBondContact O-N 2.76Å; G21-E23 PolarHBondContact O-N 3.29Å |
| 22 | Q | 58 | Low | 58.2 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | | | trans | -78.8 | 67.8 | 169.2 | -78.1 | 172.9 | 90.6 | 0 | 0 | 108.6 | G18 A24 | G18-Q22 PolarHBondContact O-NE2 3.26Å; Q22-A24 PolarHBondContact O-N 3.18Å |
| 23 | E | 55.2 | Low | 58 | Low | 177 Ų | 177 | 111.3 Ų | 111.3 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | | | trans | -49.9 | 126.3 | 153.9 | -66.6 | -104.9 | 115 | 0 | 0 | 105.9 | G21 S25 | G21-E23 PolarHBondContact O-N 3.29Å; E23-S25 PolarHBondContact O-N 2.94Å |
| 24 | A | 61 | Low | 57.6 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | | | trans | -63.2 | 72 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q22 G26 | Q22-A24 PolarHBondContact O-N 3.18Å; A24-G26 VanDerWaalsContact C-N 3.34Å; A24-G26 PolarHBondContact O-N 3.2Å |
| 25 | S | 54 | Low | 57.7 | Low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | | | trans | -86.1 | 89.3 | 163.2 | -161.4 | 0 | 0 | 0 | 0 | 105.6 | E23 S27 | E23-S25 PolarHBondContact O-N 2.94Å; S25-S27 PolarHBondContact O-N 3.3Å |
| 26 | G | 57.7 | Low | 57.1 | Low | 85 Ų | 85 | 116.8 Ų | 116.8 | 88% | 0.876 | 72% | 0.721 | S | S | * | * | | | trans | -61.4 | 82 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A24 | A24-G26 VanDerWaalsContact C-N 3.34Å; A24-G26 PolarHBondContact O-N 3.2Å |
| 27 | S | 65.8 | Low | 56.1 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | 164.9 | 125.2 | 163.4 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | S25 | S25-S27 PolarHBondContact O-N 3.3Š|
| 28 | G | 52.5 | Low | 55.9 | Low | 55 Ų | 55 | 127.7 Ų | 127.7 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | | | trans | 124.8 | 80.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 29 | S | 57.4 | Low | 55.6 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | | 71.5 | 69 | 90.9 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 30 | E | 56.7 | Low | 55.3 | Low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -165.7 | -16 | 165.2 | -110 | 145.7 | -179.1 | 0 | 0 | 116.6 | Q32 | E30-Q32 PolarHBondContact O-N 3.16Å; E30-Q32 VanDerWaalsContact O-N 3.15Å |
| 31 | A | 51.4 | Low | 54.9 | Low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 31.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L33 | A31-L33 PolarHBondContact O-N 3.25Š|
| 32 | Q | 52 | Low | 54.8 | Low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -72.9 | 85.5 | 163.6 | -82.3 | -69 | 105.7 | 0 | 0 | 107.2 | E30 L34 | E30-Q32 PolarHBondContact O-N 3.16Å; E30-Q32 VanDerWaalsContact O-N 3.15Å; Q32-L34 HydrophobicContact CB-CD1 4.44Å; Q32-L34 HydrophobicContact CB-CG 4.49Å; Q32-L34 PolarHBondContact O-N 2.78Å |
| 33 | L | 53.7 | Low | 54.6 | Low | 145 Ų | 145 | 136.4 Ų | 136.4 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | -55.6 | 68.6 | 165.8 | -153.9 | 115 | 0 | 0 | 0 | 109 | A31 L35 | A31-L33 PolarHBondContact O-N 3.25Å; L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CD1-CD1 4.27Å; L33-L35 HydrophobicContact CD2-CD1 3.27Å; L33-L35 HydrophobicContact CG-CD1 3.31Å; L33-L35 PolarHBondContact O-N 2.9Å |
| 34 | L | 52.8 | Low | 54.5 | Low | 151 Ų | 151 | 133.7 Ų | 133.7 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -81.7 | 64.6 | 169.8 | -71.9 | 159.7 | 0 | 0 | 0 | 107.4 | Q32 | Q32-L34 HydrophobicContact CB-CD1 4.44Å; Q32-L34 HydrophobicContact CB-CG 4.49Å; Q32-L34 PolarHBondContact O-N 2.78Å |
| 35 | L | 59.9 | Low | 54.1 | Low | 121 Ų | 121 | 135.6 Ų | 135.6 | 63% | 0.634 | 79% | 0.793 | S | S | * | * | | | trans | -64.9 | 146.3 | 150.4 | -76.1 | 90.4 | 0 | 0 | 0 | 107 | L33 | L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CD1-CD1 4.27Å; L33-L35 HydrophobicContact CD2-CD1 3.27Å; L33-L35 HydrophobicContact CG-CD1 3.31Å; L33-L35 PolarHBondContact O-N 2.9Å |
| 36 | D | 49.5 | Very low | 54.1 | Low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 70.9 | 87.9 | 171.8 | -67.4 | -58.2 | 0 | 0 | 0 | 116.1 | | |
| 37 | S | 43.3 | Very low | 53.8 | Low | 129 Ų | 129 | 142.9 Ų | 142.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | | -156.7 | 94 | 119 | -76.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 38 | R | 50.1 | Low | 52.7 | Low | 308 Ų | 308 | 146.3 Ų | 146.3 | 100% | 1.162 | 80% | 0.8 | S | S | * | * | | | trans | -56.5 | 0 | 155.8 | 163.2 | -178.4 | 172.8 | -101 | -0.1 | 110.7 | | |