| 1 | M | 49.3 | Very low | 60.1 | Low | 228 Ų | 228 | 152.2 Ų | 152.2 | 100% | 1.123 | 78% | 0.782 | S | S | * | * | | | | 0 | 98.2 | 0 | -79.7 | 152.1 | 55.7 | 0 | 0 | 107 | | |
| 2 | L | 57 | Low | 60.3 | Low | 181 Ų | 181 | 150.6 Ų | 150.6 | 95% | 0.948 | 78% | 0.776 | S | S | * | * | | | trans | -133 | 85.9 | 178.7 | -66.4 | 179.4 | 0 | 0 | 0 | 107.8 | | |
| 3 | N | 61.1 | Low | 60.1 | Low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -151.5 | 133.7 | 160.6 | 60.4 | 68.5 | 0 | 0 | 0 | 102.3 | | |
| 4 | E | 61.6 | Low | 59.9 | Low | 152 Ų | 152 | 147.2 Ų | 147.2 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | | | | -161.9 | 124.3 | 50.6 | -163.3 | 170.7 | 120 | 0 | 0 | 104.8 | N6 | E4-N6 VanDerWaalsContact CG-OD1 3.28Å; E4-N6 WeakPolarHBondContact CG-OD1 3.16Å; E4-N6 PolarHBondContact O-N 3.16Å; E4-N6 PolarHBondContact OE1-OD1 3.5Å |
| 5 | S | 58.9 | Low | 59.9 | Low | 89 Ų | 89 | 148.3 Ų | 148.3 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | trans | -82.4 | 97.3 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | H7 | S5-H7 PolarHBondContact O-N 3.38Å; S5-H7 PolarHBondContact OG-CD2 3.1Å; S5-H7 VanDerWaalsContact OG-CD2 3.29Å; S5-H7 PolarHBondContact OG-CE1 3.15Å; S5-H7 PolarHBondContact OG-NE2 3.48Å |
| 6 | N | 60.9 | Low | 60 | Low | 132 Ų | 132 | 147.3 Ų | 147.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -76.8 | 78.9 | 177.7 | -58.1 | -7.4 | 0 | 0 | 0 | 108.1 | E4 | E4-N6 VanDerWaalsContact CG-OD1 3.28Å; E4-N6 WeakPolarHBondContact CG-OD1 3.16Å; E4-N6 PolarHBondContact O-N 3.16Å; E4-N6 PolarHBondContact OE1-OD1 3.5Å |
| 7 | H | 60.7 | Low | 59.8 | Low | 142 Ų | 142 | 145.9 Ų | 145.9 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 144.2 | 156.3 | -64.6 | -66.7 | 0 | 0 | 0 | 108.3 | S5 | S5-H7 PolarHBondContact O-N 3.38Å; S5-H7 PolarHBondContact OG-CD2 3.1Å; S5-H7 VanDerWaalsContact OG-CD2 3.29Å; S5-H7 PolarHBondContact OG-CE1 3.15Å; S5-H7 PolarHBondContact OG-NE2 3.48Å |
| 8 | D | 60.1 | Low | 59.7 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | 100.8 | 29.9 | 159.4 | -44.9 | -31.3 | 0 | 0 | 0 | 119.9 | K10 | D8-K10 PolarHBondContact O-N 2.85Š|
| 9 | Q | 59.5 | Low | 59.4 | Low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -77.7 | 80 | 154.5 | -161.9 | 161 | 5.2 | 0 | 0 | 110 | | |
| 10 | K | 68.3 | Low | 59.2 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | | | trans | -42.2 | 129.3 | 167.6 | -170.7 | 164.1 | 178.1 | 176.3 | 0 | 109.6 | D8 D12 | D8-K10 PolarHBondContact O-N 2.85Å; K10-D12 PolarHBondContact O-N 3.01Å |
| 11 | P | 63.6 | Low | 58.9 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | trans | -63.4 | 115.4 | 174.1 | 25.8 | -30.7 | 0 | 0 | 0 | 106.8 | S13 | P11-S13 VanDerWaalsContact C-N 3.31Å; P11-S13 PolarHBondContact O-N 3.05Å |
| 12 | D | 62.3 | Low | 59.4 | Low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | -52.3 | 104.9 | 169.6 | -73.6 | -45.4 | 0 | 0 | 0 | 106.2 | K10 L14 | K10-D12 PolarHBondContact O-N 3.01Å; D12-L14 PolarHBondContact O-N 2.93Å |
| 13 | S | 57.6 | Low | 59.2 | Low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | trans | -65.3 | 90.3 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 104.3 | P11 L15 | P11-S13 VanDerWaalsContact C-N 3.31Å; P11-S13 PolarHBondContact O-N 3.05Å; S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 2.92Å |
| 14 | L | 58.4 | Low | 59 | Low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | | | trans | -56.1 | 104.5 | 170.8 | -67.8 | 179.1 | 0 | 0 | 0 | 104.6 | D12 V16 | D12-L14 PolarHBondContact O-N 2.93Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 2.85Å |
| 15 | L | 59.6 | Low | 58.8 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | | | trans | -51.6 | 103.6 | 175.8 | -65.7 | 167.6 | 0 | 0 | 0 | 105.3 | S13 D17 | S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 2.92Å; L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 2.94Å |
| 16 | V | 60.9 | Low | 58.4 | Low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | trans | -60 | 109.3 | 167.5 | 164.7 | 0 | 0 | 0 | 0 | 103.8 | L14 A18 | L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 2.85Å; V16-A18 PolarHBondContact O-N 3.17Å |
| 17 | D | 57.2 | Low | 58 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | | | trans | -61 | 86.6 | 176.1 | -164.9 | 21.9 | 0 | 0 | 0 | 106.5 | L15 D19 | L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 2.94Å; D17-D19 PolarHBondContact O-N 3.3Å |
| 18 | A | 57.5 | Low | 57.7 | Low | 56 Ų | 56 | 130.2 Ų | 130.2 | 46% | 0.463 | 71% | 0.708 | S | S | . | * | | | trans | -76.7 | 75.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | V16 F20 | V16-A18 PolarHBondContact O-N 3.17Å; A18-F20 HydrophobicContact CB-CD2 3.51Å; A18-F20 HydrophobicContact CB-CE2 3.32Å; A18-F20 HydrophobicContact CB-CG 4.44Å; A18-F20 HydrophobicContact CB-CZ 4.1Å; A18-F20 PolarHBondContact O-N 2.81Å |
| 19 | D | 53.8 | Low | 57.4 | Low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | | | trans | -62.4 | 66 | 154.7 | -85 | -22.7 | 0 | 0 | 0 | 107.1 | D17 S21 | D17-D19 PolarHBondContact O-N 3.3Å; D19-S21 PolarHBondContact O-N 2.97Å |
| 20 | F | 55.2 | Low | 57.2 | Low | 162 Ų | 162 | 128.8 Ų | 128.8 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | | | trans | -61.8 | 99 | 158.1 | -69.4 | -70.6 | 0 | 0 | 0 | 104.4 | A18 N22 | A18-F20 HydrophobicContact CB-CD2 3.51Å; A18-F20 HydrophobicContact CB-CE2 3.32Å; A18-F20 HydrophobicContact CB-CG 4.44Å; A18-F20 HydrophobicContact CB-CZ 4.1Å; A18-F20 PolarHBondContact O-N 2.81Å; F20-N22 PolarHBondContact O-N 2.75Å; F20-N22 PolarHBondContact O-ND2 3.5Å |
| 21 | S | 54.7 | Low | 56.4 | Low | 81 Ų | 81 | 126.1 Ų | 126.1 | 57% | 0.566 | 70% | 0.698 | S | S | * | * | | | trans | -51.4 | 112.5 | 167.9 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | D19 D23 | D19-S21 PolarHBondContact O-N 2.97Å; S21-D23 PolarHBondContact O-N 3.17Å; S21-D23 WeakPolarHBondContact OG-CB 3.02Å; S21-D23 VanDerWaalsContact OG-CG 3.22Å; S21-D23 PolarHBondContact OG-OD2 3.26Å |
| 22 | N | 57.9 | Low | 55.8 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | | | trans | -73.7 | 28.3 | 177.5 | -70.1 | -74.8 | 0 | 0 | 0 | 111 | F20 P24 | F20-N22 PolarHBondContact O-N 2.75Å; F20-N22 PolarHBondContact O-ND2 3.5Å; N22-P24 VanDerWaalsContact O-CD 3.27Å; N22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 23 | D | 52.7 | Low | 55.5 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 53% | 0.529 | 70% | 0.698 | S | S | . | * | | | trans | -81 | 117.8 | -178.4 | -78.4 | -29 | 0 | 0 | 0 | 109.5 | S21 L25 | S21-D23 PolarHBondContact O-N 3.17Å; S21-D23 WeakPolarHBondContact OG-CB 3.02Å; S21-D23 VanDerWaalsContact OG-CG 3.22Å; S21-D23 PolarHBondContact OG-OD2 3.26Å; D23-L25 PolarHBondContact O-N 3.2Å |
| 24 | P | 57.9 | Low | 55 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -62.6 | 0.3 | 177.5 | -21 | 33.6 | 0 | 0 | 0 | 114.4 | N22 | N22-P24 VanDerWaalsContact O-CD 3.27Å; N22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 25 | L | 57.8 | Low | 54.7 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -77.6 | -21.5 | -177.2 | -74.7 | 175.4 | 0 | 0 | 0 | 113.4 | D23 S27 | D23-L25 PolarHBondContact O-N 3.2Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.81Å |
| 26 | F | 49.2 | Very low | 54.3 | Low | 183 Ų | 183 | 130.5 Ų | 130.5 | 80% | 0.803 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -84.1 | 0.1 | -178.9 | -91.1 | -81.5 | 0 | 0 | 0 | 114.8 | N28 | F26-N28 PolarHBondContact O-N 2.78Š|
| 27 | S | 52.9 | Low | 53.7 | Low | 77 Ų | 77 | 131.1 Ų | 131.1 | 54% | 0.538 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -82.9 | -8.1 | -174.8 | -40.9 | 0 | 0 | 0 | 0 | 115.7 | L25 | L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.81Å |
| 28 | N | 55 | Low | 53.5 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -119.4 | -15.5 | -162.8 | -49.1 | -38.1 | 0 | 0 | 0 | 115.5 | F26 | F26-N28 PolarHBondContact O-N 2.78Š|
| 29 | E | 53.4 | Low | 53.1 | Low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83.1 | -27.2 | -175.8 | -165.7 | 163.7 | 133.5 | 0 | 0 | 112.9 | | |
| 30 | T | 56.4 | Low | 52.8 | Low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -88.2 | -16.3 | -174.7 | -35.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 31 | L | 50.2 | Low | 52.5 | Low | 112 Ų | 112 | 137.5 Ų | 137.5 | 59% | 0.586 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -88.8 | -13.8 | 177.9 | -72.6 | -178.6 | 0 | 0 | 0 | 114.3 | Q33 F34 E35 | L31-Q33 PolarHBondContact O-N 2.92Å; L31-Q33 VanDerWaalsContact O-N 3.17Å; L31-F34 PolarHBondContact O-N 2.86Å; L31-E35 PolarHBondContact O-N 3.44Å |
| 32 | N | 51 | Low | 52.1 | Low | 113 Ų | 113 | 138.4 Ų | 138.4 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71 | -13.8 | -174.1 | -161.5 | 37.3 | 0 | 0 | 0 | 114.2 | | |
| 33 | Q | 56.7 | Low | 51.9 | Low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -84.3 | -18.5 | 175.5 | -169 | 159.4 | 61.1 | 0 | 0 | 113.6 | L31 | L31-Q33 PolarHBondContact O-N 2.92Å; L31-Q33 VanDerWaalsContact O-N 3.17Å |
| 34 | F | 47.7 | Very low | 52 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 77% | 0.768 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -107.7 | -13.7 | 179.3 | -83.5 | -83.5 | 0 | 0 | 0 | 114.3 | L31 | L31-F34 PolarHBondContact O-N 2.86Å |
| 35 | E | 51.3 | Low | 51.6 | Low | 127 Ų | 127 | 141 Ų | 141 | 59% | 0.593 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -87.3 | -18.8 | -178.5 | -161.6 | 167.9 | 179.9 | 0 | 0 | 114.2 | L31 N37 | L31-E35 PolarHBondContact O-N 3.44Å; E35-N37 PolarHBondContact O-N 2.93Å |
| 36 | E | 51.1 | Low | 51.5 | Low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -20.2 | -178.2 | -166.7 | 177.7 | 158.6 | 0 | 0 | 113.7 | | |
| 37 | N | 47.2 | Very low | 51.8 | Low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -7.1 | -174 | -82.9 | -58.7 | 0 | 0 | 0 | 116.3 | E35 | E35-N37 PolarHBondContact O-N 2.93Š|
| 38 | I | 53.2 | Low | 51.9 | Low | 135 Ų | 135 | 141.9 Ų | 141.9 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 11.6 | -171.7 | 61.8 | 170.7 | 0 | 0 | 0 | 116.7 | E40 | I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.91Å |
| 39 | S | 49.7 | Very low | 51.7 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | -78.1 | 82 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | K41 | S39-K41 PolarHBondContact O-N 3.3Š|
| 40 | E | 48.2 | Very low | 51.8 | Low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -52.9 | 82.3 | 168.5 | -63.2 | 176.9 | 155.1 | 0 | 0 | 114 | I38 | I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.91Å |
| 41 | K | 49.2 | Very low | 51.4 | Low | 192 Ų | 192 | 137.6 Ų | 137.6 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | -165 | 67.9 | 161.3 | -144.4 | 90.6 | 171.9 | -165.2 | 0 | 115.9 | S39 | S39-K41 PolarHBondContact O-N 3.3Š|
| 42 | S | 45.3 | Very low | 51.8 | Low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -132.2 | 41.6 | 157.2 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | S44 | S42-S44 PolarHBondContact O-N 2.91Š|
| 43 | N | 53.7 | Low | 52 | Low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -95.4 | 38.3 | 178.6 | -75.3 | -32.1 | 0 | 0 | 0 | 113.9 | | |
| 44 | S | 54.5 | Low | 52 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -143.6 | -21.7 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 118.9 | S42 | S42-S44 PolarHBondContact O-N 2.91Š|
| 45 | D | 49.5 | Very low | 52.4 | Low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -123.8 | 7.7 | -173.3 | -69.1 | -44.4 | 0 | 0 | 0 | 116.6 | I47 | D45-I47 PolarHBondContact O-N 2.88Š|
| 46 | I | 55 | Low | 52.4 | Low | 151 Ų | 151 | 133.6 Ų | 133.6 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -102.5 | 52.5 | 169.3 | -43.9 | -166.8 | 0 | 0 | 0 | 110.3 | | |
| 47 | I | 56.5 | Low | 52.4 | Low | 168 Ų | 168 | 134 Ų | 134 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | | | trans | -97.9 | 75.1 | 151.2 | -55.5 | -178.4 | 0 | 0 | 0 | 105.7 | D45 | D45-I47 PolarHBondContact O-N 2.88Š|
| 48 | S | 54.5 | Low | 52.9 | Low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -143.7 | 99.4 | 170.6 | -162.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 49 | G | 51.2 | Low | 53.3 | Low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | 79.6 | 92 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 50 | V | 56.4 | Low | 53.3 | Low | 141 Ų | 141 | 132.9 Ų | 132.9 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | | -148 | 98.9 | 116.6 | 162.3 | 0 | 0 | 0 | 0 | 107.5 | G52 | V50-G52 PolarHBondContact O-N 2.58Š|
| 51 | S | 47.6 | Very low | 53.5 | Low | 124 Ų | 124 | 131.2 Ų | 131.2 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -64.2 | 110.2 | 154.8 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 52 | G | 58.9 | Low | 54.2 | Low | 55 Ų | 55 | 128.9 Ų | 128.9 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | | | trans | -134.9 | 127.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V50 H54 | V50-G52 PolarHBondContact O-N 2.58Å; G52-H54 PolarHBondContact O-N 3.23Å; G52-H54 VanDerWaalsContact O-N 3.16Å |
| 53 | P | 54.6 | Low | 54.7 | Low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -71.2 | 113.2 | -176.1 | 28 | -31.5 | 0 | 0 | 0 | 110.8 | N55 | P53-N55 PolarHBondContact O-N 3.34Å; P53-N55 VanDerWaalsContact O-N 3.1Å |
| 54 | H | 55.7 | Low | 54.8 | Low | 159 Ų | 159 | 127.9 Ų | 127.9 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | 37.9 | 61.6 | 135.9 | -142.6 | -75.3 | 0 | 0 | 0 | 116.9 | G52 Q56 | G52-H54 PolarHBondContact O-N 3.23Å; G52-H54 VanDerWaalsContact O-N 3.16Å; H54-Q56 PolarHBondContact O-N 2.66Å; H54-Q56 VanDerWaalsContact O-N 3.15Å |
| 55 | N | 56.2 | Low | 55 | Low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | trans | -82.1 | 97.6 | 163.1 | -147.1 | 11.7 | 0 | 0 | 0 | 108.9 | P53 F57 | P53-N55 PolarHBondContact O-N 3.34Å; P53-N55 VanDerWaalsContact O-N 3.1Å; N55-F57 HydrophobicContact CB-CD2 4.29Å; N55-F57 HydrophobicContact CB-CE2 4.22Å; N55-F57 WeakPolarHBondContact ND2-CE2 3.47Å; N55-F57 PolarHBondContact O-N 2.75Å |
| 56 | Q | 51.2 | Low | 55.2 | Low | 137 Ų | 137 | 130 Ų | 130 | 64% | 0.64 | 74% | 0.744 | S | S | * | * | | | trans | -65.1 | 72.2 | -178.8 | -168 | 174 | 41.1 | 0 | 0 | 110.4 | H54 I58 | H54-Q56 PolarHBondContact O-N 2.66Å; H54-Q56 VanDerWaalsContact O-N 3.15Å; Q56-I58 HydrophobicContact CG-CD1 3.89Å; Q56-I58 HydrophobicContact CG-CG1 3.94Å; Q56-I58 PolarHBondContact O-N 2.76Å |
| 57 | F | 51.6 | Low | 55.3 | Low | 176 Ų | 176 | 131.2 Ų | 131.2 | 77% | 0.772 | 75% | 0.746 | S | S | * | * | | | trans | -80.3 | 80.6 | 168.5 | -78.5 | -73.6 | 0 | 0 | 0 | 109.4 | N55 S59 | N55-F57 HydrophobicContact CB-CD2 4.29Å; N55-F57 HydrophobicContact CB-CE2 4.22Å; N55-F57 WeakPolarHBondContact ND2-CE2 3.47Å; N55-F57 PolarHBondContact O-N 2.75Å; F57-S59 VanDerWaalsContact C-N 3.25Å; F57-S59 PolarHBondContact O-N 2.86Å |
| 58 | I | 57.6 | Low | 55.4 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | | | trans | -70.5 | 87.4 | 161 | -61.4 | 173 | 0 | 0 | 0 | 106 | Q56 N60 | Q56-I58 HydrophobicContact CG-CD1 3.89Å; Q56-I58 HydrophobicContact CG-CG1 3.94Å; Q56-I58 PolarHBondContact O-N 2.76Å; I58-N60 HydrophobicContact CG2-CB 4.42Å; I58-N60 WeakPolarHBondContact CG2-OD1 3.16Å |
| 59 | S | 61.8 | Low | 55.3 | Low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -97.6 | 77.2 | 159.3 | -171 | 0 | 0 | 0 | 0 | 107.5 | F57 | F57-S59 VanDerWaalsContact C-N 3.25Å; F57-S59 PolarHBondContact O-N 2.86Å |
| 60 | N | 51 | Low | 55.8 | Low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | -68.6 | 148.6 | 160.9 | -74.9 | 45.6 | 0 | 0 | 0 | 108.5 | I58 | I58-N60 HydrophobicContact CG2-CB 4.42Å; I58-N60 WeakPolarHBondContact CG2-OD1 3.16Å |
| 61 | D | 51.6 | Low | 55.9 | Low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | 76 | 92 | 169.7 | -96.9 | -6.7 | 0 | 0 | 0 | 117.1 | | |
| 62 | I | 63.1 | Low | 56.4 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | | -178 | 111.2 | 96.8 | -80 | 149 | 0 | 0 | 0 | 105.6 | N64 | I62-N64 HydrophobicContact CG2-CB 4.45Å; I62-N64 PolarHBondContact O-N 2.83Å |
| 63 | P | 57 | Low | 56.3 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | | | trans | -67.2 | 92.8 | 162.6 | 27.1 | -28.6 | 0 | 0 | 0 | 106.2 | K65 | P63-K65 PolarHBondContact O-N 3.04Š|
| 64 | N | 54.9 | Low | 56.2 | Low | 120 Ų | 120 | 139.3 Ų | 139.3 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | | | trans | -61.7 | 113.4 | 166.2 | 87.8 | 44.3 | 0 | 0 | 0 | 104.4 | I62 C66 | I62-N64 HydrophobicContact CG2-CB 4.45Å; I62-N64 PolarHBondContact O-N 2.83Å; N64-C66 PolarHBondContact O-N 3.11Å; N64-C66 PolarHBondContact OD1-SG 2.75Å |
| 65 | K | 58.3 | Low | 56.2 | Low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -63 | 92.4 | 174.7 | -178.5 | -171.8 | -178.9 | -169.6 | 0 | 103.9 | P63 E67 | P63-K65 PolarHBondContact O-N 3.04Å; K65-E67 VanDerWaalsContact C-N 3.28Å; K65-E67 PolarHBondContact O-N 2.89Å |
| 66 | C | 55.2 | Low | 56.1 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | | | trans | -52.6 | 102.9 | 175 | -64.9 | 0 | 0 | 0 | 0 | 106 | N64 K68 | N64-C66 PolarHBondContact O-N 3.11Å; N64-C66 PolarHBondContact OD1-SG 2.75Å; C66-K68 PolarHBondContact O-N 2.75Å |
| 67 | E | 57.2 | Low | 56.3 | Low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | | | trans | -60 | 112.6 | 178.7 | -76.2 | 179.4 | 161.2 | 0 | 0 | 105.1 | K65 Y69 | K65-E67 VanDerWaalsContact C-N 3.28Å; K65-E67 PolarHBondContact O-N 2.89Å; E67-Y69 PolarHBondContact O-N 2.82Å |
| 68 | K | 58.2 | Low | 56.7 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | | | trans | -31 | 101.4 | 177 | -174.6 | -167.4 | -177.1 | -157.3 | 0 | 108.6 | C66 V70 | C66-K68 PolarHBondContact O-N 2.75Å; K68-V70 HydrophobicContact CD-CG2 4.38Å; K68-V70 PolarHBondContact O-N 2.61Å |
| 69 | Y | 52.4 | Low | 56.9 | Low | 211 Ų | 211 | 134.5 Ų | 134.5 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | | | trans | -59.8 | 99.6 | 170 | -167.3 | -96.5 | 0 | 0 | 0 | 104.4 | E67 P71 | E67-Y69 PolarHBondContact O-N 2.82Å; Y69-P71 WeakPolarHBondContact O-CD 3.33Å |
| 70 | V | 61.8 | Low | 56.8 | Low | 102 Ų | 102 | 134.3 Ų | 134.3 | 62% | 0.618 | 72% | 0.717 | S | S | * | * | | | trans | -74.4 | 107.8 | 170.2 | 176.8 | 0 | 0 | 0 | 0 | 102.4 | K68 N72 | K68-V70 HydrophobicContact CD-CG2 4.38Å; K68-V70 PolarHBondContact O-N 2.61Å; V70-N72 PolarHBondContact O-N 2.93Å |
| 71 | P | 58 | Low | 57 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | | | trans | -57.1 | 115.3 | 168.4 | -9.6 | 26.2 | 0 | 0 | 0 | 103 | Y69 E73 | Y69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-E73 PolarHBondContact O-N 2.82Å |
| 72 | N | 57.4 | Low | 57.3 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | | | trans | -52.5 | 138.1 | 167.3 | 59 | 24.3 | 0 | 0 | 0 | 105 | V70 S74 | V70-N72 PolarHBondContact O-N 2.93Å; N72-S74 VanDerWaalsContact CG-OG 3.28Å; N72-S74 PolarHBondContact O-N 2.84Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 3.01Å; N72-S74 PolarHBondContact OD1-OG 2.78Å |
| 73 | E | 57.7 | Low | 57 | Low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | | | trans | -66.4 | 67.4 | 162.1 | -65.5 | 169.6 | 177.3 | 0 | 0 | 104.8 | P71 N75 | P71-E73 PolarHBondContact O-N 2.82Å; E73-N75 PolarHBondContact O-N 2.83Å |
| 74 | S | 52.3 | Low | 57.2 | Low | 80 Ų | 80 | 133.7 Ų | 133.7 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | | | trans | -58.4 | 103.8 | 160.3 | -80.9 | 0 | 0 | 0 | 0 | 101.8 | N72 S76 | N72-S74 VanDerWaalsContact CG-OG 3.28Å; N72-S74 PolarHBondContact O-N 2.84Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 3.01Å; N72-S74 PolarHBondContact OD1-OG 2.78Å; S74-S76 PolarHBondContact O-N 2.75Å |
| 75 | N | 55.5 | Low | 57.2 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | | | trans | -42.2 | 88.2 | 161.5 | -63 | -67.9 | 0 | 0 | 0 | 105.8 | E73 S77 | E73-N75 PolarHBondContact O-N 2.83Å; N75-S77 PolarHBondContact O-N 2.69Å |
| 76 | S | 55.2 | Low | 56.8 | Low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | | | trans | -72.2 | 82.9 | 169.9 | -169.7 | 0 | 0 | 0 | 0 | 101.2 | S74 H78 | S74-S76 PolarHBondContact O-N 2.75Å; S76-H78 PolarHBondContact O-CD2 3.28Å; S76-H78 PolarHBondContact O-N 2.87Å |
| 77 | S | 54 | Low | 56.8 | Low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | trans | -60.4 | 84.2 | 150.2 | 55.5 | 0 | 0 | 0 | 0 | 103.1 | N75 I79 | N75-S77 PolarHBondContact O-N 2.69Å; S77-I79 PolarHBondContact O-N 2.89Å |
| 78 | H | 60.6 | Low | 56.7 | Low | 148 Ų | 148 | 128.9 Ų | 128.9 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | -46.8 | 110.4 | 174.2 | -75.5 | -88 | 0 | 0 | 0 | 104.6 | S76 C80 | S76-H78 PolarHBondContact O-CD2 3.28Å; S76-H78 PolarHBondContact O-N 2.87Å; H78-C80 PolarHBondContact O-N 3.03Å |
| 79 | I | 62.5 | Low | 56.2 | Low | 140 Ų | 140 | 130.5 Ų | 130.5 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | | | trans | -59.1 | 101.7 | 168.9 | -70.4 | 172.1 | 0 | 0 | 0 | 102.8 | S77 D81 | S77-I79 PolarHBondContact O-N 2.89Å; I79-D81 WeakPolarHBondContact CG2-OD1 3.38Å; I79-D81 PolarHBondContact O-N 2.81Å |
| 80 | C | 58.9 | Low | 56.3 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | | | trans | -68.3 | 91.7 | 176.3 | -71 | 0 | 0 | 0 | 0 | 105.7 | H78 V82 | H78-C80 PolarHBondContact O-N 3.03Å; C80-V82 PolarHBondContact O-N 3.06Å |
| 81 | D | 54.6 | Low | 56 | Low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | | | trans | -70 | 58.2 | 165.1 | -65.6 | -38.2 | 0 | 0 | 0 | 108.5 | I79 I83 | I79-D81 WeakPolarHBondContact CG2-OD1 3.38Å; I79-D81 PolarHBondContact O-N 2.81Å; D81-I83 VanDerWaalsContact C-N 3.26Å; D81-I83 PolarHBondContact O-N 3.28Å |
| 82 | V | 59.4 | Low | 55.8 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | trans | -76.2 | 91 | 165.4 | 154.8 | 0 | 0 | 0 | 0 | 105.6 | C80 V84 | C80-V82 PolarHBondContact O-N 3.06Å; V82-V84 VanDerWaalsContact C-N 3.35Å; V82-V84 HydrophobicContact CG1-CG2 3.88Å; V82-V84 PolarHBondContact O-N 3.26Å |
| 83 | I | 56.4 | Low | 55.4 | Low | 154 Ų | 154 | 132.7 Ų | 132.7 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | -58.8 | 101.6 | 161.2 | -59.2 | 173.5 | 0 | 0 | 0 | 105.7 | D81 P85 | D81-I83 VanDerWaalsContact C-N 3.26Å; D81-I83 PolarHBondContact O-N 3.28Å; I83-P85 WeakPolarHBondContact O-CD 3.28Å |
| 84 | V | 59.7 | Low | 55.1 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | trans | -73.3 | 117 | 173.5 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | V82 | V82-V84 VanDerWaalsContact C-N 3.35Å; V82-V84 HydrophobicContact CG1-CG2 3.88Å; V82-V84 PolarHBondContact O-N 3.26Å |
| 85 | P | 55 | Low | 55 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | trans | -66.5 | 145.7 | 177.8 | 28.3 | -32.4 | 0 | 0 | 0 | 109.7 | I83 V87 | I83-P85 WeakPolarHBondContact O-CD 3.28Å; P85-V87 PolarHBondContact O-N 3.47Å |
| 86 | D | 50.1 | Low | 54.8 | Low | 169 Ų | 169 | 130.5 Ų | 130.5 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -50.9 | 65.8 | -172.3 | -166.9 | 18.4 | 0 | 0 | 0 | 115.7 | | |
| 87 | V | 55.5 | Low | 54.5 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -116.8 | 107.2 | 172.9 | 120.4 | 0 | 0 | 0 | 0 | 108.8 | P85 Y89 | P85-V87 PolarHBondContact O-N 3.47Å; V87-Y89 PolarHBondContact O-N 3.01Å |
| 88 | A | 54.6 | Low | 54.2 | Low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 7.3 | 95.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S90 | A88-S90 PolarHBondContact O-N 2.95Š|
| 89 | Y | 49.4 | Very low | 53.9 | Low | 214 Ų | 214 | 137.7 Ų | 137.7 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | -32.2 | 105.5 | 163 | -148.5 | -101.7 | 0 | 0 | 0 | 112.6 | V87 H91 | V87-Y89 PolarHBondContact O-N 3.01Å; Y89-H91 HydrophobicContact CD1-CB 4.5Å |
| 90 | S | 52.8 | Low | 53.6 | Low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | | | trans | -89.7 | 111.4 | 161.3 | 70.3 | 0 | 0 | 0 | 0 | 107.5 | A88 E92 | A88-S90 PolarHBondContact O-N 2.95Å; S90-E92 PolarHBondContact O-N 2.74Å |
| 91 | H | 56.8 | Low | 53.4 | Low | 153 Ų | 153 | 136 Ų | 136 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -1.1 | -166.4 | -177.4 | 45.8 | 0 | 0 | 0 | 115.2 | Y89 | Y89-H91 HydrophobicContact CD1-CB 4.5Š|
| 92 | E | 52.6 | Low | 53.3 | Low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 3.8 | -162.7 | -55.6 | -155.5 | 154 | 0 | 0 | 116 | S90 | S90-E92 PolarHBondContact O-N 2.74Š|
| 93 | Q | 49.2 | Very low | 52.3 | Low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -102.5 | -1 | -169.3 | -131.4 | 174.3 | 11.5 | 0 | 0 | 117.5 | V95 | Q93-V95 VanDerWaalsContact C-N 3.3Å; Q93-V95 PolarHBondContact O-N 3.38Å; Q93-V95 VanDerWaalsContact O-N 3.12Å |
| 94 | C | 51.2 | Low | 51.9 | Low | 122 Ų | 122 | 145.8 Ų | 145.8 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -90.2 | 64.3 | 173.5 | -157.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 95 | V | 52 | Low | 51.6 | Low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -110.2 | 55.4 | 169.6 | -159.1 | 0 | 0 | 0 | 0 | 108.6 | Q93 | Q93-V95 VanDerWaalsContact C-N 3.3Å; Q93-V95 PolarHBondContact O-N 3.38Å; Q93-V95 VanDerWaalsContact O-N 3.12Å |
| 96 | S | 50.6 | Low | 51.4 | Low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -153.1 | 65.2 | 177.8 | -144.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 97 | S | 48.5 | Very low | 51.7 | Low | 95 Ų | 95 | 148.3 Ų | 148.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | -156.8 | 51.2 | 161.3 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | I99 | S97-I99 PolarHBondContact O-N 2.88Š|
| 98 | R | 48 | Very low | 51.6 | Low | 250 Ų | 250 | 150.4 Ų | 150.4 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | | | trans | -83.5 | 63.9 | 147.2 | -76.1 | -172.5 | -172.6 | 166.5 | 3.7 | 108.1 | S100 | R98-S100 PolarHBondContact O-N 2.91Š|
| 99 | I | 54.9 | Low | 51.5 | Low | 136 Ų | 136 | 149 Ų | 149 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | trans | -72.4 | 97.5 | 157.6 | -56.9 | 172 | 0 | 0 | 0 | 103.2 | S97 S101 | S97-I99 PolarHBondContact O-N 2.88Å; I99-S101 PolarHBondContact O-N 3.36Å; I99-S101 PolarHBondContact O-OG 3.27Å |
| 100 | S | 56.5 | Low | 51.3 | Low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -60.7 | 103.3 | 175.5 | -171 | 0 | 0 | 0 | 0 | 106.7 | R98 Q102 | R98-S100 PolarHBondContact O-N 2.91Å; S100-Q102 PolarHBondContact O-N 3.12Å |
| 101 | S | 53.6 | Low | 51.2 | Low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -65.6 | 71.5 | 177.8 | -40.7 | 0 | 0 | 0 | 0 | 110 | I99 | I99-S101 PolarHBondContact O-N 3.36Å; I99-S101 PolarHBondContact O-OG 3.27Å |
| 102 | Q | 51.9 | Low | 50.9 | Low | 175 Ų | 175 | 151.7 Ų | 151.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -98.8 | 71.8 | 165.2 | -174.8 | 176.4 | -2.9 | 0 | 0 | 107.5 | S100 | S100-Q102 PolarHBondContact O-N 3.12Š|
| 103 | W | 40.3 | Very low | 51.2 | Low | 224 Ų | 224 | 153.4 Ų | 153.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -113.3 | 99.7 | 163.9 | -69 | 96.8 | 0 | 0 | 0 | 106.3 | | |
| 104 | Y | 46.2 | Very low | 51.3 | Low | 210 Ų | 210 | 150.6 Ų | 150.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | 162.4 | 112.4 | 140.7 | -110.8 | -98.7 | 0 | 0 | 0 | 109.5 | | |
| 105 | D | 53.4 | Low | 51.2 | Low | 139 Ų | 139 | 153.5 Ų | 153.5 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | | -177.6 | 85.8 | 122.8 | -94.5 | -15.2 | 0 | 0 | 0 | 107.7 | S107 | D105-S107 PolarHBondContact O-N 2.87Š|
| 106 | E | 52.2 | Low | 51.3 | Low | 200 Ų | 200 | 150.9 Ų | 150.9 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | | | trans | -73.4 | 68.7 | 165.7 | -159.7 | 167.1 | 130.8 | 0 | 0 | 108 | D108 | E106-D108 PolarHBondContact O-N 2.9Š|
| 107 | S | 56 | Low | 51.7 | Low | 100 Ų | 100 | 152.5 Ų | 152.5 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | -84.4 | 94.3 | 169.9 | 47.9 | 0 | 0 | 0 | 0 | 108.1 | D105 G109 | D105-S107 PolarHBondContact O-N 2.87Å; S107-G109 VanDerWaalsContact C-N 3.34Å; S107-G109 PolarHBondContact O-N 3.47Å |
| 108 | D | 53.3 | Low | 52.2 | Low | 172 Ų | 172 | 159.1 Ų | 159.1 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | | | trans | -59.1 | 91.2 | 170.8 | -147.2 | 8.4 | 0 | 0 | 0 | 109.1 | E106 | E106-D108 PolarHBondContact O-N 2.9Š|
| 109 | G | 52.8 | Low | 53 | Low | 62 Ų | 62 | 155.5 Ų | 155.5 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 157.2 | 75.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | S107 | S107-G109 VanDerWaalsContact C-N 3.34Å; S107-G109 PolarHBondContact O-N 3.47Å |
| 110 | K | 43.9 | Very low | 53.3 | Low | 211 Ų | 211 | 154.7 Ų | 154.7 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | 40.6 | 101.6 | 147 | -51 | -154.7 | -177.6 | -173.3 | 0 | 118.6 | | |
| 111 | A | 51.7 | Low | 53.7 | Low | 96 Ų | 96 | 155.9 Ų | 155.9 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | trans | -161.6 | 118.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F113 | A111-F113 PolarHBondContact O-N 3.29Š|
| 112 | K | 51.1 | Low | 54.1 | Low | 204 Ų | 204 | 156.5 Ų | 156.5 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | -61.5 | 122.6 | 169.1 | -63.4 | 166.5 | 174.4 | -176.3 | 0 | 108.6 | | |
| 113 | F | 57 | Low | 54.8 | Low | 200 Ų | 200 | 154 Ų | 154 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -127.3 | 117.5 | 150.3 | -104.8 | -83.6 | 0 | 0 | 0 | 109.3 | A111 | A111-F113 PolarHBondContact O-N 3.29Š|
| 114 | P | 51.7 | Low | 55.8 | Low | 107 Ų | 107 | 151 Ų | 151 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | trans | -79.4 | 132.4 | -173.2 | 30.6 | -32.3 | 0 | 0 | 0 | 111.9 | | |
| 115 | E | 48.7 | Very low | 56.6 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | | 67.6 | 119.8 | 123.3 | -154.2 | 173.7 | 138.1 | 0 | 0 | 120.1 | | |
| 116 | A | 56.1 | Low | 56.9 | Low | 78 Ų | 78 | 151.8 Ų | 151.8 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | | | trans | 66.7 | 78.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | R118 | A116-R118 VanDerWaalsContact C-N 3.34Å; A116-R118 PolarHBondContact O-N 2.98Å |
| 117 | T | 58.2 | Low | 57.2 | Low | 148 Ų | 148 | 146.6 Ų | 146.6 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | | | trans | -63.1 | 102.2 | 149.7 | -49.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 118 | R | 59.4 | Low | 57.7 | Low | 233 Ų | 233 | 149.7 Ų | 149.7 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 133.2 | 178.5 | -68 | 172.7 | 170.1 | 144.8 | -2.3 | 111.6 | A116 | A116-R118 VanDerWaalsContact C-N 3.34Å; A116-R118 PolarHBondContact O-N 2.98Å |
| 119 | E | 64.7 | Low | 58.1 | Low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.4 | -178.1 | -53.7 | -162.3 | 174.3 | 0 | 0 | 112.5 | V121 | E119-V121 PolarHBondContact O-N 3.03Š|
| 120 | P | 59.7 | Low | 58.9 | Low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 118 | -178.7 | 26.5 | -33 | 0 | 0 | 0 | 110.7 | C122 | P120-C122 PolarHBondContact O-N 3.21Š|
| 121 | V | 65.1 | Low | 60 | Low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -67.2 | 100.7 | 169.1 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | E119 T123 | E119-V121 PolarHBondContact O-N 3.03Å; V121-T123 HydrophobicContact CG1-CG2 4.08Å; V121-T123 PolarHBondContact O-N 3.33Å |
| 122 | C | 62.3 | Low | 60.1 | Low | 122 Ų | 122 | 151.2 Ų | 151.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -76.5 | 99.5 | 164.5 | -87.2 | 0 | 0 | 0 | 0 | 108.2 | P120 D124 | P120-C122 PolarHBondContact O-N 3.21Å; C122-D124 PolarHBondContact O-N 3.24Å |
| 123 | T | 67.3 | Low | 60.5 | Low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -72.1 | 116 | 165.1 | 39.1 | 0 | 0 | 0 | 0 | 108.8 | V121 R125 | V121-T123 HydrophobicContact CG1-CG2 4.08Å; V121-T123 PolarHBondContact O-N 3.33Å; T123-R125 PolarHBondContact O-N 3.2Å; T123-R125 VanDerWaalsContact O-N 3.14Å |
| 124 | D | 61.9 | Low | 60.4 | Low | 161 Ų | 161 | 148.9 Ų | 148.9 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -49.6 | 116.4 | 174.3 | -97.2 | -57.3 | 0 | 0 | 0 | 110.9 | C122 E126 | C122-D124 PolarHBondContact O-N 3.24Å; D124-E126 VanDerWaalsContact C-N 3.27Å; D124-E126 PolarHBondContact O-N 2.72Å |
| 125 | R | 62.1 | Low | 60.8 | Low | 223 Ų | 223 | 151 Ų | 151 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | trans | -73.6 | 88.9 | 169.7 | -169.3 | -175.3 | -154.8 | 167 | 6 | 107.2 | T123 S127 | T123-R125 PolarHBondContact O-N 3.2Å; T123-R125 VanDerWaalsContact O-N 3.14Å; R125-S127 PolarHBondContact O-N 2.93Å; R125-S127 PolarHBondContact O-OG 3.14Å |
| 126 | E | 59.2 | Low | 61.4 | Low | 142 Ų | 142 | 149.3 Ų | 149.3 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | trans | -60.9 | 84.9 | 171.1 | -167.4 | 178.3 | 105 | 0 | 0 | 109.1 | D124 K128 | D124-E126 VanDerWaalsContact C-N 3.27Å; D124-E126 PolarHBondContact O-N 2.72Å; E126-K128 HydrophobicContact CG-CG 4.27Å; E126-K128 PolarHBondContact O-N 3.33Å; E126-K128 WeakPolarHBondContact OE1-CD 3.4Å; E126-K128 WeakPolarHBondContact OE1-CE 2.98Å; E126-K128 IonicContact OE1-NZ 2.65Å; E126-K128 PolarHBondContact OE1-NZ 2.78Å |
| 127 | S | 59.5 | Low | 61.7 | Low | 91 Ų | 91 | 153.3 Ų | 153.3 | 64% | 0.636 | 82% | 0.822 | S | S | * | * | | | trans | -79.6 | 81.9 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 106.5 | R125 S129 | R125-S127 PolarHBondContact O-N 2.93Å; R125-S127 PolarHBondContact O-OG 3.14Å; S127-S129 PolarHBondContact O-N 2.98Å |
| 128 | K | 66.3 | Low | 61.9 | Low | 165 Ų | 165 | 153.6 Ų | 153.6 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | | | trans | -64.8 | 79.2 | 168.7 | -89.9 | 170.4 | 169.1 | 145.3 | 0 | 109.4 | E126 S130 | E126-K128 HydrophobicContact CG-CG 4.27Å; E126-K128 PolarHBondContact O-N 3.33Å; E126-K128 WeakPolarHBondContact OE1-CD 3.4Å; E126-K128 WeakPolarHBondContact OE1-CE 2.98Å; E126-K128 IonicContact OE1-NZ 2.65Å; E126-K128 PolarHBondContact OE1-NZ 2.78Å; K128-S130 PolarHBondContact O-N 2.65Å |
| 129 | S | 61.8 | Low | 62.1 | Low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -83.9 | 84.9 | 163.8 | 173.8 | 0 | 0 | 0 | 0 | 107.4 | S127 | S127-S129 PolarHBondContact O-N 2.98Š|
| 130 | S | 68.5 | Low | 61.9 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 120.3 | 171 | -66 | 0 | 0 | 0 | 0 | 109.2 | K128 | K128-S130 PolarHBondContact O-N 2.65Š|
| 131 | P | 66.9 | Low | 62.1 | Low | 104 Ų | 104 | 148.9 Ų | 148.9 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 145.9 | -175.3 | 25.9 | -31.5 | 0 | 0 | 0 | 112.6 | L133 | P131-L133 PolarHBondContact O-N 3.34Š|
| 132 | R | 54.4 | Low | 61.8 | Low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 120.7 | 169.8 | -63.8 | -175.4 | 178.6 | -157.4 | -0.1 | 108.9 | | |
| 133 | L | 60.8 | Low | 61.8 | Low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -128.2 | 119 | 172.1 | -85.1 | 164.1 | 0 | 0 | 0 | 109.7 | P131 | P131-L133 PolarHBondContact O-N 3.34Š|
| 134 | S | 53 | Low | 61.3 | Low | 196 Ų | 196 | 155.5 Ų | 155.5 | 100% | 1.371 | 83% | 0.825 | S | S | * | * | | | trans | 72 | 0 | 168.8 | -160.5 | 0 | 0 | 0 | 0 | 119.9 | | |