| 1 | M | 41.8 | Very low | 38.5 | Very low | 256 Ų | 256 | 154.4 Ų | 154.4 | 100% | 1.261 | 82% | 0.82 | S | S | * | * | | | | 0 | 114.7 | 0 | -65.5 | -179.4 | -157.4 | 0 | 0 | 106.6 | | |
| 2 | G | 36.6 | Very low | 38.5 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -158.6 | 116.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 3 | E | 45.9 | Very low | 38.6 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -70.4 | 132.3 | -171.4 | -68.9 | 174.3 | 149.3 | 0 | 0 | 111.4 | F5 | E3-F5 HydrophobicContact CB-CE2 4.44Š|
| 4 | K | 38.5 | Very low | 38.6 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | | | trans | -89 | 110.7 | 167.7 | -109.3 | -178.4 | 174.6 | -178.3 | 0 | 107.7 | | |
| 5 | F | 40.5 | Very low | 38.3 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 112.9 | 164.9 | -85.3 | -92.7 | 0 | 0 | 0 | 109.1 | E3 | E3-F5 HydrophobicContact CB-CE2 4.44Š|
| 6 | I | 35.4 | Very low | 38 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -101.6 | 108.3 | 164.5 | -60.1 | 173.7 | 0 | 0 | 0 | 105.4 | | |
| 7 | A | 38.4 | Very low | 37.6 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | | | trans | -95.9 | 96.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | I9 | A7-I9 PolarHBondContact O-N 3.11Š|
| 8 | N | 35.4 | Very low | 37.3 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -72.5 | 113.7 | 157.2 | -92.6 | -3.2 | 0 | 0 | 0 | 106.6 | | |
| 9 | I | 37.5 | Very low | 36.9 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | | | trans | -109.6 | 102.3 | 165.7 | -58.2 | 177.2 | 0 | 0 | 0 | 105.5 | A7 I11 | A7-I9 PolarHBondContact O-N 3.11Å; I9-I11 HydrophobicContact CG2-CG1 4.01Å; I9-I11 PolarHBondContact O-N 3.32Å |
| 10 | D | 36.1 | Very low | 36.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -64.9 | 113.9 | 161.7 | -86.7 | -33.8 | 0 | 0 | 0 | 107.4 | | |
| 11 | I | 37.4 | Very low | 36.4 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -99.3 | 113.1 | 167.3 | -57.4 | 176.7 | 0 | 0 | 0 | 106.1 | I9 E13 | I9-I11 HydrophobicContact CG2-CG1 4.01Å; I9-I11 PolarHBondContact O-N 3.32Å; I11-E13 PolarHBondContact O-N 3.41Å |
| 12 | P | 39 | Very low | 35.9 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 60% | 0.604 | 79% | 0.792 | S | S | * | * | | | trans | -64.7 | 133.1 | 173.3 | 24.9 | -30.4 | 0 | 0 | 0 | 109.8 | N14 | P12-N14 PolarHBondContact O-N 3.37Š|
| 13 | E | 39.5 | Very low | 35.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 18.1 | -169.9 | -71.4 | -179.2 | 142.9 | 0 | 0 | 116.6 | I11 | I11-E13 PolarHBondContact O-N 3.41Š|
| 14 | N | 38 | Very low | 35.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 5.5 | -168.9 | -77.7 | -37 | 0 | 0 | 0 | 117.6 | P12 | P12-N14 PolarHBondContact O-N 3.37Š|
| 15 | D | 34.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -103 | 82.3 | 179.2 | -76.7 | -23.6 | 0 | 0 | 0 | 112.4 | | |
| 16 | S | 33.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -135 | 67.4 | 165 | -83.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 17 | L | 31.8 | Very low | 35.5 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -140.3 | 75.2 | 164.4 | -70.7 | 175.7 | 0 | 0 | 0 | 109.8 | | |
| 18 | I | 31.6 | Very low | 36 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | | | trans | -90.9 | 111.1 | 164.2 | -66.6 | 177.8 | 0 | 0 | 0 | 108.7 | | |
| 19 | S | 30.9 | Very low | 36.5 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -49 | 127 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 114.2 | A21 | S19-A21 PolarHBondContact O-N 3.39Š|
| 20 | A | 31.3 | Very low | 37.5 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | -78.6 | 111.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | A | 31.1 | Very low | 37.8 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | -94.9 | 130.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | S19 | S19-A21 PolarHBondContact O-N 3.39Š|
| 22 | W | 32.3 | Very low | 38.5 | Very low | 240 Ų | 240 | 123.4 Ų | 123.4 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | | | trans | -61.2 | 137 | -174.4 | -78.8 | 12.1 | 0 | 0 | 0 | 115.1 | | |
| 23 | F | 33.3 | Very low | 38.5 | Very low | 197 Ų | 197 | 125 Ų | 125 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | -120.4 | 120.8 | 135.8 | -82.3 | -84.3 | 0 | 0 | 0 | 107.5 | D25 G26 | F23-D25 PolarHBondContact O-N 3.41Å; F23-G26 PolarHBondContact O-N 3.38Å |
| 24 | G | 33.5 | Very low | 38.5 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 32.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 25 | D | 43.3 | Very low | 38.7 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | 2.8 | 174.6 | -78.5 | -39.7 | 0 | 0 | 0 | 114.1 | F23 C27 | F23-D25 PolarHBondContact O-N 3.41Å; D25-C27 PolarHBondContact O-N 3.2Å |
| 26 | G | 39.2 | Very low | 38.8 | Very low | 52 Ų | 52 | 117.3 Ų | 117.3 | 54% | 0.536 | 70% | 0.701 | S | S | . | * | S | Bend | trans | 64 | -5.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | F23 | F23-G26 PolarHBondContact O-N 3.38Š|
| 27 | C | 38.1 | Very low | 38.8 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | B | Isolated β-bridge | trans | -98.2 | 120.5 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | D25 | D25-C27 PolarHBondContact O-N 3.2Å |
| 28 | L | 48.6 | Very low | 38.9 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 45% | 0.445 | 69% | 0.693 | S | S | . | * | | | trans | -67.3 | 152.7 | 161.4 | -65.7 | 170.7 | 0 | 0 | 0 | 108.7 | D30 G31 S32 | L28-D30 WeakPolarHBondContact CB-OD1 3.31Å; L28-D30 PolarHBondContact O-N 3.44Å; L28-G31 PolarHBondContact O-N 3.28Å; L28-S32 WeakPolarHBondContact CB-O 3.24Å; L28-S32 WeakPolarHBondContact CB-OG 3.46Å; L28-S32 WeakPolarHBondContact CD1-OG 3.39Å; L28-S32 PolarHBondContact N-O 3.11Å |
| 29 | S | 46.1 | Very low | 39.1 | Very low | 140 Ų | 140 | 112.9 Ų | 112.9 | 98% | 0.979 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -9.1 | -176.7 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 30 | D | 59.7 | Low | 39.3 | Very low | 121 Ų | 121 | 113.6 Ų | 113.6 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 6.4 | 176.3 | 61.2 | 3.7 | 0 | 0 | 0 | 113.5 | L28 S32 | L28-D30 WeakPolarHBondContact CB-OD1 3.31Å; L28-D30 PolarHBondContact O-N 3.44Å; D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 WeakPolarHBondContact OD1-CB 3.15Å; D30-S32 PolarHBondContact OD1-N 2.8Å; D30-S32 PolarHBondContact OD1-OG 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.33Å |
| 31 | G | 42.5 | Very low | 39.3 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 80.9 | 3.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L28 | L28-G31 PolarHBondContact O-N 3.28Š|
| 32 | S | 51.3 | Low | 39.3 | Very low | 46 Ų | 46 | 116.1 Ų | 116.1 | 32% | 0.322 | 69% | 0.69 | S | S | . | * | | | trans | -79.3 | 143.8 | 175.1 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | L28 D30 | L28-S32 WeakPolarHBondContact CB-O 3.24Å; L28-S32 WeakPolarHBondContact CB-OG 3.46Å; L28-S32 WeakPolarHBondContact CD1-OG 3.39Å; L28-S32 PolarHBondContact N-O 3.11Å; D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 WeakPolarHBondContact OD1-CB 3.15Å; D30-S32 PolarHBondContact OD1-N 2.8Å; D30-S32 PolarHBondContact OD1-OG 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.33Å |
| 33 | I | 39.9 | Very low | 39.3 | Very low | 125 Ų | 125 | 109.8 Ų | 109.8 | 64% | 0.641 | 68% | 0.683 | S | S | * | * | B | Isolated β-bridge | trans | -104.3 | 128.3 | 178.8 | -57.5 | 172.3 | 0 | 0 | 0 | 107.4 | V35 | I33-V35 HydrophobicContact CG2-CG2 4.12Å |
| 34 | F | 38.7 | Very low | 39.3 | Very low | 160 Ų | 160 | 105.8 Ų | 105.8 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | | | trans | -89.1 | 113.1 | 173.8 | -155.2 | -91.9 | 0 | 0 | 0 | 109.4 | T36 | F34-T36 HydrophobicContact CD1-CG2 4.19Å; F34-T36 HydrophobicContact CE1-CG2 4.18Å |
| 35 | V | 41.6 | Very low | 39.3 | Very low | 98 Ų | 98 | 107 Ų | 107 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | | | trans | -104.3 | 110 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | I33 | I33-V35 HydrophobicContact CG2-CG2 4.12Š|
| 36 | T | 36.1 | Very low | 39 | Very low | 72 Ų | 72 | 106.9 Ų | 106.9 | 44% | 0.442 | 69% | 0.687 | S | S | . | * | | | trans | -75 | 144.7 | 171.2 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | F34 N38 | F34-T36 HydrophobicContact CD1-CG2 4.19Å; F34-T36 HydrophobicContact CE1-CG2 4.18Å; T36-N38 PolarHBondContact O-N 3.46Å |
| 37 | P | 34.4 | Very low | 39 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 90% | 0.903 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -67.3 | 4.7 | -169.7 | -12.2 | 22.7 | 0 | 0 | 0 | 116.9 | | |
| 38 | N | 34.1 | Very low | 38.8 | Very low | 121 Ų | 121 | 119 Ų | 119 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | | | trans | -158.6 | 86.2 | -177.2 | -158.8 | 1.1 | 0 | 0 | 0 | 113.1 | T36 V40 | T36-N38 PolarHBondContact O-N 3.46Å; N38-V40 VanDerWaalsContact C-N 3.28Å; N38-V40 PolarHBondContact O-N 3.07Å; N38-V40 VanDerWaalsContact O-N 3.15Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.19Å |
| 39 | P | 35.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | trans | -88 | 65.6 | 174.5 | 35.7 | -31.4 | 0 | 0 | 0 | 110.1 | | |
| 40 | V | 35.3 | Very low | 37.8 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | -92.5 | 121.4 | 165 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | N38 | N38-V40 VanDerWaalsContact C-N 3.28Å; N38-V40 PolarHBondContact O-N 3.07Å; N38-V40 VanDerWaalsContact O-N 3.15Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.19Å |
| 41 | A | 30.5 | Very low | 36.9 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | | | trans | 81.4 | 71.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 42 | V | 32.3 | Very low | 36.8 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | trans | -128.6 | 74.4 | 142.8 | -157.8 | 0 | 0 | 0 | 0 | 109 | | |
| 43 | S | 32.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -86.5 | 134.1 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 44 | S | 32.1 | Very low | 36.3 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 73.1 | 66.1 | 157.6 | 69.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 45 | A | 33.7 | Very low | 36.6 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -162.5 | 60.9 | 153 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 46 | V | 37.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -120.4 | 98.4 | 162.2 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | K48 | V46-K48 PolarHBondContact O-N 3.45Š|
| 47 | K | 38.1 | Very low | 36.9 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | -62.7 | 127.3 | 170.5 | -125.3 | 172.2 | -179.2 | 173.3 | 0 | 108 | C49 | K47-C49 PolarHBondContact O-N 3.04Š|
| 48 | K | 34.5 | Very low | 37.7 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -51.6 | 107.7 | 169 | -78 | 177.4 | 173.5 | 176.9 | 0 | 110.2 | V46 S50 | V46-K48 PolarHBondContact O-N 3.45Å; K48-S50 PolarHBondContact O-N 3.05Å |
| 49 | C | 35.2 | Very low | 38.6 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 92% | 0.919 | 81% | 0.81 | S | S | * | * | | | trans | -81 | 99.6 | 155.9 | -93.7 | 0 | 0 | 0 | 0 | 107.5 | K47 | K47-C49 PolarHBondContact O-N 3.04Š|
| 50 | S | 38.4 | Very low | 38.9 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | -79.7 | 146 | 170 | 16.2 | 0 | 0 | 0 | 0 | 109.5 | K48 | K48-S50 PolarHBondContact O-N 3.05Š|
| 51 | P | 41.5 | Very low | 39.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | trans | -67.2 | 135.5 | 179.9 | 26.2 | -31.7 | 0 | 0 | 0 | 110.9 | K53 | P51-K53 PolarHBondContact O-N 3.45Š|
| 52 | A | 39.7 | Very low | 40.5 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -62.2 | 113.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 53 | K | 41.2 | Very low | 40.9 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | | | trans | 150.6 | 112.9 | 134.4 | -85.7 | 172.9 | -179.4 | 172.5 | 0 | 109.5 | P51 | P51-K53 PolarHBondContact O-N 3.45Š|
| 54 | P | 40.2 | Very low | 41.2 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | | | | -132.2 | 138.1 | 126.1 | 15.5 | 4.2 | 0 | 0 | 0 | 111.5 | | |
| 55 | K | 43.5 | Very low | 41.6 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | | | trans | -74.9 | 147.2 | 166.7 | -83.3 | 178.3 | 172.2 | 176.8 | 0 | 109.5 | | |
| 56 | T | 43.8 | Very low | 41.6 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | 80.1 | 118.2 | 149.7 | 32.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 57 | G | 40.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | 86 | 143.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 58 | R | 51.1 | Low | 41.7 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | | | cis | 180 | 137.7 | -5.3 | 170.3 | 173.3 | 179.5 | 173.6 | 0.8 | 103.5 | | |
| 59 | E | 54.1 | Low | 41.8 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 64% | 0.64 | 82% | 0.821 | S | S | * | * | | | trans | 68 | 107.9 | 158 | -69.9 | 161.8 | -168.5 | 0 | 0 | 120.5 | | |
| 60 | D | 41.4 | Very low | 41.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | | | | 34.4 | 111.8 | 127 | -53.6 | -28.3 | 0 | 0 | 0 | 119.8 | | |
| 61 | S | 55.5 | Low | 41.6 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -153.4 | 117.3 | 146.2 | -80.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 62 | S | 43.4 | Very low | 41.3 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -68.7 | 133.6 | 174.4 | -39.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 63 | S | 40.6 | Very low | 41 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -150.3 | 110.5 | 156.9 | -94.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 64 | S | 39.4 | Very low | 40.9 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | | | trans | -72.5 | 124.7 | 167.6 | 52 | 0 | 0 | 0 | 0 | 109.8 | | |
| 65 | L | 39.9 | Very low | 40.3 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -122.4 | 121.6 | 165.1 | -114.1 | 144.2 | 0 | 0 | 0 | 107.6 | | |
| 66 | G | 34.6 | Very low | 39.9 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -64.7 | 141 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 67 | I | 40.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -85.6 | 113.5 | 168.3 | -59.6 | 171 | 0 | 0 | 0 | 106.5 | | |
| 68 | L | 38.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -71.9 | 131.2 | 167.9 | -75.5 | 167.6 | 0 | 0 | 0 | 108.9 | | |
| 69 | S | 35.6 | Very low | 38.3 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | | | trans | -69 | 136.6 | 175.4 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | N71 | S69-N71 PolarHBondContact O-N 3.02Š|
| 70 | P | 35.3 | Very low | 37.3 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -81.4 | 87.6 | -179.9 | 32.2 | -30 | 0 | 0 | 0 | 108.6 | | |
| 71 | N | 34.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | trans | -158.6 | 40.8 | 174.1 | -101.6 | -15.4 | 0 | 0 | 0 | 114.2 | S69 | S69-N71 PolarHBondContact O-N 3.02Š|
| 72 | T | 34.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -147.3 | 65.9 | 171.7 | -27.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 73 | F | 34.1 | Very low | 35.7 | Very low | 210 Ų | 210 | 140.6 Ų | 140.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -137.9 | 75.9 | 152.7 | -108.6 | -85 | 0 | 0 | 0 | 107.8 | | |
| 74 | A | 37.7 | Very low | 35.4 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -84.6 | 126.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 75 | G | 29.5 | Very low | 35.4 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | 74.3 | 81.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 76 | T | 33.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -124.8 | 118.7 | 134.4 | 39 | 0 | 0 | 0 | 0 | 108.7 | | |
| 77 | S | 35.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -52.5 | 130 | -173.5 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | Q79 | S77-Q79 VanDerWaalsContact C-N 3.34Å; S77-Q79 PolarHBondContact O-N 3.02Å |
| 78 | R | 33.2 | Very low | 35.1 | Very low | 250 Ų | 250 | 142.6 Ų | 142.6 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -67 | 92.3 | 158.5 | -70.5 | -179.1 | 176.6 | -151.5 | -1.3 | 108.3 | | |
| 79 | Q | 33.2 | Very low | 34.7 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -161.1 | 7.5 | 167 | -116 | 164.5 | 9.6 | 0 | 0 | 115.9 | S77 | S77-Q79 VanDerWaalsContact C-N 3.34Å; S77-Q79 PolarHBondContact O-N 3.02Å |
| 80 | L | 34.3 | Very low | 34.7 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -142.7 | 26.8 | -167.9 | -95.6 | 163.3 | 0 | 0 | 0 | 116.8 | | |
| 81 | I | 36.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -138.6 | 50.5 | 176.7 | -41.5 | 177.6 | 0 | 0 | 0 | 111.5 | F85 | I81-F85 HydrophobicContact CG2-CD2 3.99Å; I81-F85 HydrophobicContact CG2-CE2 3.51Å |
| 82 | Q | 35.9 | Very low | 34.6 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -122.1 | -7.2 | 171 | -93.6 | -177.8 | -23.2 | 0 | 0 | 115.1 | | |
| 83 | D | 33.6 | Very low | 34.6 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -120.7 | -8.7 | 177.3 | -70.3 | -40.5 | 0 | 0 | 0 | 114.9 | | |
| 84 | D | 34.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 60% | 0.599 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -3.8 | -171.2 | -71.1 | -17.8 | 0 | 0 | 0 | 115.4 | | |
| 85 | F | 39.2 | Very low | 35.1 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -1 | 174.1 | -72.4 | -74.5 | 0 | 0 | 0 | 113.8 | I81 | I81-F85 HydrophobicContact CG2-CD2 3.99Å; I81-F85 HydrophobicContact CG2-CE2 3.51Å |
| 86 | L | 37.8 | Very low | 35.9 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -106.7 | 2.7 | 175.1 | -73.7 | 167.8 | 0 | 0 | 0 | 113.3 | | |
| 87 | N | 34.2 | Very low | 36.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | trans | -117.4 | 46.6 | 170.8 | -79.4 | -28.1 | 0 | 0 | 0 | 111.4 | D89 | N87-D89 VanDerWaalsContact C-N 3.28Å; N87-D89 PolarHBondContact O-N 2.8Å; N87-D89 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 37.2 | Very low | 37.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | | | trans | -70.3 | 101.8 | 150.5 | -81.8 | 163 | 0 | 0 | 0 | 105.2 | L90 | L88-L90 HydrophobicContact CB-CG 4.29Å; L88-L90 PolarHBondContact O-N 2.98Å |
| 89 | D | 29.8 | Very low | 38.9 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | | | trans | -57.1 | 71 | 156 | -82.9 | -30 | 0 | 0 | 0 | 107.6 | N87 A91 | N87-D89 VanDerWaalsContact C-N 3.28Å; N87-D89 PolarHBondContact O-N 2.8Å; N87-D89 VanDerWaalsContact O-N 3.11Å; D89-A91 PolarHBondContact O-N 3.11Å |
| 90 | L | 35.4 | Very low | 39.9 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | | | trans | -64.5 | 95.2 | 158.8 | -78.4 | 165.5 | 0 | 0 | 0 | 103.4 | L88 P92 | L88-L90 HydrophobicContact CB-CG 4.29Å; L88-L90 PolarHBondContact O-N 2.98Å; L90-P92 WeakPolarHBondContact O-CD 3.33Å |
| 91 | A | 31.3 | Very low | 40.5 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | trans | -42 | 116.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | D89 E93 | D89-A91 PolarHBondContact O-N 3.11Å; A91-E93 PolarHBondContact O-N 3.46Å |
| 92 | P | 36 | Very low | 41.2 | Very low | 134 Ų | 134 | 123 Ų | 123 | 87% | 0.87 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -73.5 | 19.6 | -168.3 | 27.8 | -33.9 | 0 | 0 | 0 | 113.6 | L90 | L90-P92 WeakPolarHBondContact O-CD 3.33Š|
| 93 | E | 35.1 | Very low | 42.3 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | | | trans | -133.6 | 70.3 | -175.5 | -72.5 | 178.7 | 164.2 | 0 | 0 | 109.1 | A91 D95 | A91-E93 PolarHBondContact O-N 3.46Å; E93-D95 VanDerWaalsContact C-N 3.27Å; E93-D95 PolarHBondContact O-N 3.07Å |
| 94 | V | 44.1 | Very low | 43.2 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | | | trans | -76.1 | 99 | 143.9 | -178.2 | 0 | 0 | 0 | 0 | 104.1 | V96 | V94-V96 HydrophobicContact CG1-CG2 4.17Å; V94-V96 PolarHBondContact O-N 3.4Å |
| 95 | D | 38.1 | Very low | 44.1 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 84% | 0.84 | 63% | 0.63 | S | S | * | * | | | trans | -65.5 | 91.5 | 171.5 | -155.6 | 8.8 | 0 | 0 | 0 | 106.4 | E93 D97 | E93-D95 VanDerWaalsContact C-N 3.27Å; E93-D95 PolarHBondContact O-N 3.07Å; D95-D97 PolarHBondContact O-N 3.12Å |
| 96 | V | 46.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | | | trans | -72.7 | 111.7 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 105.1 | V94 Q98 L101 | V94-V96 HydrophobicContact CG1-CG2 4.17Å; V94-V96 PolarHBondContact O-N 3.4Å; V96-Q98 PolarHBondContact O-N 3.15Å; V96-L101 HydrophobicContact CG1-CB 4.14Å; V96-L101 HydrophobicContact CG1-CD2 4.45Å |
| 97 | D | 51.6 | Low | 45.1 | Very low | 96 Ų | 96 | 105.1 Ų | 105.1 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | | | trans | -56.9 | 109.2 | 172 | -173.3 | -14.1 | 0 | 0 | 0 | 107.8 | D95 G99 E100 L101 | D95-D97 PolarHBondContact O-N 3.12Å; D97-G99 PolarHBondContact O-N 2.88Å; D97-G99 VanDerWaalsContact O-N 3.11Å; D97-G99 WeakPolarHBondContact OD1-CA 3.37Å; D97-G99 PolarHBondContact OD1-N 2.87Å; D97-E100 HydrophobicContact CB-CB 4.16Å; D97-E100 HydrophobicContact CB-CG 3.96Å; D97-E100 PolarHBondContact O-N 2.83Å; D97-L101 PolarHBondContact O-N 2.8Å |
| 98 | Q | 50.9 | Low | 45.7 | Very low | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.1 | -27.8 | 179.9 | -171.1 | 64.8 | 45.8 | 0 | 0 | 110.4 | V96 L101 D102 | V96-Q98 PolarHBondContact O-N 3.15Å; Q98-L101 PolarHBondContact O-N 2.57Å; Q98-D102 PolarHBondContact NE2-OD1 2.9Å; Q98-D102 VanDerWaalsContact O-CB 3.26Å; Q98-D102 WeakPolarHBondContact O-CB 3.44Å; Q98-D102 PolarHBondContact O-N 3.41Å |
| 99 | G | 61.1 | Low | 46 | Very low | 39 Ų | 39 | 103 Ų | 103 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D97 L101 D102 E103 | D97-G99 PolarHBondContact O-N 2.88Å; D97-G99 VanDerWaalsContact O-N 3.11Å; D97-G99 WeakPolarHBondContact OD1-CA 3.37Å; D97-G99 PolarHBondContact OD1-N 2.87Å; G99-L101 VanDerWaalsContact C-N 3.34Å; G99-D102 PolarHBondContact O-N 2.85Å; G99-E103 VanDerWaalsContact O-CB 3.3Å; G99-E103 WeakPolarHBondContact O-CB 3.28Å; G99-E103 PolarHBondContact O-N 2.98Å |
| 100 | E | 54.7 | Low | 46.7 | Very low | 134 Ų | 134 | 99.4 Ų | 99.4 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.7 | -35.4 | 174.7 | -69.7 | -169.8 | 163.6 | 0 | 0 | 111.5 | D97 L104 | D97-E100 HydrophobicContact CB-CB 4.16Å; D97-E100 HydrophobicContact CB-CG 3.96Å; D97-E100 PolarHBondContact O-N 2.83Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 PolarHBondContact O-N 3.37Å |
| 101 | L | 46.6 | Very low | 46.8 | Very low | 54 Ų | 54 | 98.5 Ų | 98.5 | 28% | 0.283 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.5 | -45.3 | 174.3 | -175.8 | 62.5 | 0 | 0 | 0 | 111.5 | V96 D97 Q98 G99 E103 L104 V105 | V96-L101 HydrophobicContact CG1-CB 4.14Å; V96-L101 HydrophobicContact CG1-CD2 4.45Å; D97-L101 PolarHBondContact O-N 2.8Å; Q98-L101 PolarHBondContact O-N 2.57Å; G99-L101 VanDerWaalsContact C-N 3.34Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-L104 PolarHBondContact O-N 3.02Å; L101-V105 WeakPolarHBondContact O-CB 3.18Å; L101-V105 VanDerWaalsContact O-CG2 3.26Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 3.15Å |
| 102 | D | 52.2 | Low | 47.1 | Very low | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -34.5 | 178.3 | -69.8 | -11.6 | 0 | 0 | 0 | 111.1 | Q98 G99 A106 | Q98-D102 PolarHBondContact NE2-OD1 2.9Å; Q98-D102 VanDerWaalsContact O-CB 3.26Å; Q98-D102 WeakPolarHBondContact O-CB 3.44Å; Q98-D102 PolarHBondContact O-N 3.41Å; G99-D102 PolarHBondContact O-N 2.85Å; D102-A106 WeakPolarHBondContact O-CB 3.15Å; D102-A106 PolarHBondContact O-N 3.07Å |
| 103 | E | 59.1 | Low | 47 | Very low | 147 Ų | 147 | 97.6 Ų | 97.6 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69 | -37.7 | 173.2 | -169.3 | 174.3 | -170.6 | 0 | 0 | 111.6 | G99 L101 S107 | G99-E103 VanDerWaalsContact O-CB 3.3Å; G99-E103 WeakPolarHBondContact O-CB 3.28Å; G99-E103 PolarHBondContact O-N 2.98Å; L101-E103 VanDerWaalsContact C-N 3.34Å; E103-S107 WeakPolarHBondContact O-CB 3.34Å; E103-S107 PolarHBondContact O-N 3.36Å |
| 104 | L | 51.6 | Low | 46.9 | Very low | 68 Ų | 68 | 93 Ų | 93 | 36% | 0.356 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 173.8 | -166.7 | 83.9 | 0 | 0 | 0 | 111 | E100 L101 A106 S107 F108 | E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 2.93Å; L104-S107 WeakPolarHBondContact O-CB 3.33Å; L104-S107 PolarHBondContact O-N 3.02Å; L104-S107 VanDerWaalsContact O-N 3.1Å; L104-S107 PolarHBondContact O-OG 3.08Å; L104-F108 HydrophobicContact CD2-CE2 4.19Å; L104-F108 HydrophobicContact CG-CD2 4.48Å; L104-F108 HydrophobicContact CG-CE2 3.92Å; L104-F108 WeakPolarHBondContact O-CD2 3.46Å; L104-F108 PolarHBondContact O-N 3.49Å |
| 105 | V | 52.3 | Low | 46.4 | Very low | 66 Ų | 66 | 94.3 Ų | 94.3 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L101 S107 F108 E109 | L101-V105 WeakPolarHBondContact O-CB 3.18Å; L101-V105 VanDerWaalsContact O-CG2 3.26Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 3.15Å; V105-S107 VanDerWaalsContact C-N 3.27Å; V105-S107 PolarHBondContact O-N 3Å; V105-F108 WeakPolarHBondContact O-CB 3.21Å; V105-F108 PolarHBondContact O-N 3.24Å; V105-F108 VanDerWaalsContact O-N 3.09Å; V105-E109 PolarHBondContact O-N 2.67Å |
| 106 | A | 52.4 | Low | 46.2 | Very low | 43 Ų | 43 | 91.9 Ų | 91.9 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -30.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D102 L104 F108 E109 S110 | D102-A106 WeakPolarHBondContact O-CB 3.15Å; D102-A106 PolarHBondContact O-N 3.07Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 2.93Å; A106-F108 VanDerWaalsContact C-N 3.3Å; A106-F108 PolarHBondContact O-N 3.11Å; A106-E109 PolarHBondContact O-N 3.21Å; A106-S110 WeakPolarHBondContact O-CA 3.23Å; A106-S110 WeakPolarHBondContact O-CB 3.46Å; A106-S110 PolarHBondContact O-N 2.84Å; A106-S110 PolarHBondContact O-OG 3.48Å |
| 107 | S | 47.1 | Very low | 45.7 | Very low | 42 Ų | 42 | 96.2 Ų | 96.2 | 29% | 0.294 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.9 | -30.1 | 174 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | E103 L104 V105 N111 | E103-S107 WeakPolarHBondContact O-CB 3.34Å; E103-S107 PolarHBondContact O-N 3.36Å; L104-S107 WeakPolarHBondContact O-CB 3.33Å; L104-S107 PolarHBondContact O-N 3.02Å; L104-S107 VanDerWaalsContact O-N 3.1Å; L104-S107 PolarHBondContact O-OG 3.08Å; V105-S107 VanDerWaalsContact C-N 3.27Å; V105-S107 PolarHBondContact O-N 3Å; S107-N111 WeakPolarHBondContact O-CB 3.02Å; S107-N111 PolarHBondContact O-N 2.98Å; S107-N111 VanDerWaalsContact O-N 3.15Å |
| 108 | F | 45.7 | Very low | 45 | Very low | 61 Ų | 61 | 95.3 Ų | 95.3 | 27% | 0.268 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.3 | -34.2 | 170.3 | -70.9 | -72.7 | 0 | 0 | 0 | 112.4 | L104 V105 A106 F146 | L104-F108 HydrophobicContact CD2-CE2 4.19Å; L104-F108 HydrophobicContact CG-CD2 4.48Å; L104-F108 HydrophobicContact CG-CE2 3.92Å; L104-F108 WeakPolarHBondContact O-CD2 3.46Å; L104-F108 PolarHBondContact O-N 3.49Å; V105-F108 WeakPolarHBondContact O-CB 3.21Å; V105-F108 PolarHBondContact O-N 3.24Å; V105-F108 VanDerWaalsContact O-N 3.09Å; A106-F108 VanDerWaalsContact C-N 3.3Å; A106-F108 PolarHBondContact O-N 3.11Å; F108-F146 HydrophobicContact CE1-CE2 4.26Å; F108-F146 AromaticContact CE1-CZ 3.83Å; F108-F146 HydrophobicContact CE1-CZ 3.83Å; F108-F146 HydrophobicContact CZ-CE2 4.21Å; F108-F146 HydrophobicContact CZ-CZ 4.06Å |
| 109 | E | 43.7 | Very low | 44.6 | Very low | 157 Ų | 157 | 95.1 Ų | 95.1 | 73% | 0.734 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -79.7 | -28.6 | 177.6 | -67 | -174.2 | 167.3 | 0 | 0 | 113.1 | V105 A106 | V105-E109 PolarHBondContact O-N 2.67Å; A106-E109 PolarHBondContact O-N 3.21Å |
| 110 | S | 44.1 | Very low | 43.5 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -100.2 | -27.6 | -171.6 | 66 | 0 | 0 | 0 | 0 | 114.8 | A106 A112 | A106-S110 WeakPolarHBondContact O-CA 3.23Å; A106-S110 WeakPolarHBondContact O-CB 3.46Å; A106-S110 PolarHBondContact O-N 2.84Å; A106-S110 PolarHBondContact O-OG 3.48Å; S110-A112 PolarHBondContact O-N 3.25Å |
| 111 | N | 37.7 | Very low | 42.7 | Very low | 126 Ų | 126 | 97.4 Ų | 97.4 | 67% | 0.674 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -93 | 85.8 | 173 | -80.7 | -21.3 | 0 | 0 | 0 | 110.4 | S107 C113 | S107-N111 WeakPolarHBondContact O-CB 3.02Å; S107-N111 PolarHBondContact O-N 2.98Å; S107-N111 VanDerWaalsContact O-N 3.15Å; N111-C113 PolarHBondContact O-N 3.14Å |
| 112 | A | 37.9 | Very low | 42.8 | Very low | 80 Ų | 80 | 101.2 Ų | 101.2 | 66% | 0.661 | 60% | 0.599 | S | S | * | * | | | trans | 55.8 | 61.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S110 A114 | S110-A112 PolarHBondContact O-N 3.25Å; A112-A114 HydrophobicContact CB-CB 4.08Å; A112-A114 PolarHBondContact O-N 3.39Å |
| 113 | C | 34.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 101.2 Ų | 101.2 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | | | | -60.5 | 66.6 | 122.6 | -71.7 | 0 | 0 | 0 | 0 | 107.8 | N111 N115 | N111-C113 PolarHBondContact O-N 3.14Å; C113-N115 PolarHBondContact O-N 3.42Å |
| 114 | A | 33.8 | Very low | 41.7 | Very low | 75 Ų | 75 | 97.9 Ų | 97.9 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | | | trans | -70 | 89 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106 | A112 D116 | A112-A114 HydrophobicContact CB-CB 4.08Å; A112-A114 PolarHBondContact O-N 3.39Å; A114-D116 PolarHBondContact O-N 2.83Å; A114-D116 VanDerWaalsContact O-N 3.1Å |
| 115 | N | 32.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 102 Ų | 102 | 83% | 0.829 | 62% | 0.619 | S | S | * | * | | | trans | 30.5 | 74.6 | 145.4 | -63.5 | -28.3 | 0 | 0 | 0 | 114.1 | C113 | C113-N115 PolarHBondContact O-N 3.42Š|
| 116 | D | 33 | Very low | 40.8 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 64% | 0.64 | S | S | * | * | | | trans | -133.8 | 84 | 149.4 | -124 | -33.6 | 0 | 0 | 0 | 107.9 | A114 S118 L119 | A114-D116 PolarHBondContact O-N 2.83Å; A114-D116 VanDerWaalsContact O-N 3.1Å; D116-S118 WeakPolarHBondContact CB-OG 3.45Å; D116-S118 PolarHBondContact O-N 3.02Å; D116-S118 WeakPolarHBondContact OD1-CB 3.43Å; D116-S118 PolarHBondContact OD1-OG 3.35Å; D116-L119 PolarHBondContact O-N 2.99Å; D116-L119 VanDerWaalsContact O-N 3.09Å |
| 117 | D | 37.8 | Very low | 40.1 | Very low | 174 Ų | 174 | 105.4 Ų | 105.4 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 5.7 | 160.9 | -86.1 | -31.2 | 0 | 0 | 0 | 112.4 | | |
| 118 | S | 36.7 | Very low | 39.9 | Very low | 77 Ų | 77 | 108 Ų | 108 | 54% | 0.538 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -6.6 | 168.3 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | D116 M120 | D116-S118 WeakPolarHBondContact CB-OG 3.45Å; D116-S118 PolarHBondContact O-N 3.02Å; D116-S118 WeakPolarHBondContact OD1-CB 3.43Å; D116-S118 PolarHBondContact OD1-OG 3.35Å; S118-M120 PolarHBondContact O-N 2.96Å |
| 119 | L | 43 | Very low | 39.8 | Very low | 105 Ų | 105 | 109.5 Ų | 109.5 | 55% | 0.55 | 67% | 0.667 | S | S | . | * | | | trans | -78.3 | 8.4 | -178.4 | -95.8 | 156.2 | 0 | 0 | 0 | 115.7 | D116 T127 | D116-L119 PolarHBondContact O-N 2.99Å; D116-L119 VanDerWaalsContact O-N 3.09Å; L119-T127 HydrophobicContact CD2-CG2 3.21Å |
| 120 | M | 36.8 | Very low | 40.1 | Very low | 178 Ų | 178 | 106.7 Ų | 106.7 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | | | trans | -99.8 | 62.4 | 164 | -71.8 | -78.7 | -90.9 | 0 | 0 | 109.6 | S118 S122 | S118-M120 PolarHBondContact O-N 2.96Å; M120-S122 PolarHBondContact O-N 3.21Å; M120-S122 VanDerWaalsContact O-N 3.07Å |
| 121 | G | 39.1 | Very low | 40.4 | Very low | 44 Ų | 44 | 106.4 Ų | 106.4 | 45% | 0.454 | 64% | 0.643 | S | S | . | * | | | trans | -57.3 | 111.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | D123 | G121-D123 VanDerWaalsContact C-OD1 3.29Å; G121-D123 WeakPolarHBondContact CA-OD1 3.5Å; G121-D123 PolarHBondContact O-N 2.73Å |
| 122 | S | 46.9 | Very low | 40.9 | Very low | 134 Ų | 134 | 106.3 Ų | 106.3 | 94% | 0.937 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 6.9 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | M120 | M120-S122 PolarHBondContact O-N 3.21Å; M120-S122 VanDerWaalsContact O-N 3.07Å |
| 123 | D | 45.1 | Very low | 41.9 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 47% | 0.471 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | 3.3 | -174.3 | 59.6 | -14.6 | 0 | 0 | 0 | 114 | G121 K125 | G121-D123 VanDerWaalsContact C-OD1 3.29Å; G121-D123 WeakPolarHBondContact CA-OD1 3.5Å; G121-D123 PolarHBondContact O-N 2.73Å; D123-K125 HydrophobicContact CB-CG 4.42Å; D123-K125 PolarHBondContact O-N 2.94Å; D123-K125 WeakPolarHBondContact OD2-CD 3.4Å; D123-K125 WeakPolarHBondContact OD2-CE 3.04Å; D123-K125 WeakPolarHBondContact OD2-CG 3.5Å; D123-K125 IonicContact OD2-NZ 2.73Å; D123-K125 PolarHBondContact OD2-NZ 2.84Å |
| 124 | G | 44.3 | Very low | 42.8 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 79% | 0.794 | 63% | 0.625 | S | S | * | * | | | trans | 66 | 19.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 125 | K | 42.2 | Very low | 43.8 | Very low | 155 Ų | 155 | 105.1 Ų | 105.1 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 138 | 176.3 | -68.8 | -171.1 | -171.1 | 132.6 | 0 | 110.5 | D123 T127 | D123-K125 HydrophobicContact CB-CG 4.42Å; D123-K125 PolarHBondContact O-N 2.94Å; D123-K125 WeakPolarHBondContact OD2-CD 3.4Å; D123-K125 WeakPolarHBondContact OD2-CE 3.04Å; D123-K125 WeakPolarHBondContact OD2-CG 3.5Å; D123-K125 IonicContact OD2-NZ 2.73Å; D123-K125 PolarHBondContact OD2-NZ 2.84Å; K125-T127 PolarHBondContact O-N 2.92Å |
| 126 | A | 41.7 | Very low | 44.8 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 127 | T | 37.6 | Very low | 46 | Very low | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -91.7 | 123.4 | 174.5 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | L119 K125 | L119-T127 HydrophobicContact CD2-CG2 3.21Å; K125-T127 PolarHBondContact O-N 2.92Å |
| 128 | H | 43.2 | Very low | 46.8 | Very low | 97 Ų | 97 | 100.4 Ų | 100.4 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -99.4 | 124.9 | 178.9 | 172.3 | -84.7 | 0 | 0 | 0 | 109.5 | E130 K166 | H128-E130 IonicContact CE1-OE2 3.61Å; H128-K166 WeakPolarHBondContact NE2-CE 3.35Å; H128-K166 PolarHBondContact NE2-NZ 2.81Å |
| 129 | V | 43.6 | Very low | 47.9 | Very low | 92 Ų | 92 | 97 Ų | 97 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | | | trans | -116.1 | 130.3 | 170.5 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 130 | E | 49.9 | Very low | 48.5 | Very low | 98 Ų | 98 | 96 Ų | 96 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | | | trans | -111.6 | 126.8 | 176 | -168 | 159.3 | -163.5 | 0 | 0 | 107.8 | H128 | H128-E130 IonicContact CE1-OE2 3.61Š|
| 131 | Q | 50 | Low | 49.6 | Very low | 80 Ų | 80 | 92.6 Ų | 92.6 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | | | trans | -128.6 | 120.8 | 177.5 | -170.1 | 172.7 | 19.1 | 0 | 0 | 108.9 | F133 | Q131-F133 HydrophobicContact CB-CE2 4.16Å; Q131-F133 HydrophobicContact CB-CZ 4.35Å; Q131-F133 HydrophobicContact CG-CE1 4.5Å; Q131-F133 HydrophobicContact CG-CE2 4.2Å; Q131-F133 HydrophobicContact CG-CZ 4.03Å; Q131-F133 WeakPolarHBondContact O-CD2 3.48Å |
| 132 | D | 49.4 | Very low | 50.5 | Low | 124 Ų | 124 | 90.7 Ų | 90.7 | 66% | 0.663 | 51% | 0.513 | S | S | * | . | | | trans | -82.1 | 124 | 177 | -67.6 | -37.2 | 0 | 0 | 0 | 109.9 | | |
| 133 | F | 59.1 | Low | 51 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | | | trans | -104.4 | 131.4 | 171 | -63.3 | -83.7 | 0 | 0 | 0 | 109.1 | Q131 D135 R138 T139 A142 I167 | Q131-F133 HydrophobicContact CB-CE2 4.16Å; Q131-F133 HydrophobicContact CB-CZ 4.35Å; Q131-F133 HydrophobicContact CG-CE1 4.5Å; Q131-F133 HydrophobicContact CG-CE2 4.2Å; Q131-F133 HydrophobicContact CG-CZ 4.03Å; Q131-F133 WeakPolarHBondContact O-CD2 3.48Å; F133-D135 PolarHBondContact O-N 3.49Å; F133-R138 HydrophobicContact CD1-CB 4.26Å; F133-T139 VanDerWaalsContact CB-OG1 3.24Å; F133-T139 WeakPolarHBondContact CB-OG1 3.42Å; F133-T139 HydrophobicContact CD2-CG2 4.22Å; F133-A142 HydrophobicContact CE1-CB 3.93Å; F133-A142 HydrophobicContact CE2-CB 3.94Å; F133-A142 HydrophobicContact CZ-CB 3.5Å; F133-A142 VanDerWaalsContact CZ-CB 3.5Å; F133-I167 HydrophobicContact CD2-CD1 4.16Å; F133-I167 HydrophobicContact CE2-CD1 3.6Å; F133-I167 HydrophobicContact CZ-CD1 4.49Å |
| 134 | S | 53.3 | Low | 51.5 | Low | 120 Ų | 120 | 86.7 Ų | 86.7 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -74.2 | -10.4 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 114 | | |
| 135 | D | 53.7 | Low | 52.2 | Low | 73 Ų | 73 | 87.5 Ų | 87.5 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | | | trans | -135.9 | 135 | -173.4 | -173.5 | -4.7 | 0 | 0 | 0 | 110.8 | F133 E137 R138 T139 | F133-D135 PolarHBondContact O-N 3.49Å; D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 3.29Å; D135-E137 PolarHBondContact OD1-N 3.37Å; D135-R138 HydrophobicContact CB-CB 4.22Å; D135-R138 HydrophobicContact CB-CG 4.1Å; D135-R138 PolarHBondContact O-N 3.3Å; D135-T139 PolarHBondContact O-N 3.07Å; D135-T139 PolarHBondContact O-OG1 3.23Å |
| 136 | A | 53.7 | Low | 52.8 | Low | 63 Ų | 63 | 83.9 Ų | 83.9 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T139 L140 | A136-T139 PolarHBondContact O-N 3.39Å; A136-L140 WeakPolarHBondContact O-CB 3.47Å; A136-L140 PolarHBondContact O-N 3.1Å |
| 137 | E | 57.9 | Low | 53.2 | Low | 112 Ų | 112 | 84.3 Ų | 84.3 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 177.8 | -166 | -172.3 | 144.7 | 0 | 0 | 111.1 | D135 T139 L140 K141 | D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 3.29Å; D135-E137 PolarHBondContact OD1-N 3.37Å; E137-T139 VanDerWaalsContact C-N 3.33Å; E137-T139 PolarHBondContact O-N 2.97Å; E137-L140 PolarHBondContact O-N 3.27Å; E137-K141 HydrophobicContact CG-CD 4.5Å; E137-K141 WeakPolarHBondContact O-CB 3.02Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.89Å; E137-K141 WeakPolarHBondContact OE1-CE 3.33Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 3.41Å |
| 138 | R | 55.6 | Low | 53.5 | Low | 163 Ų | 163 | 81.2 Ų | 81.2 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 175.9 | -69.7 | -174.6 | 174.7 | -164.1 | -5.7 | 112 | F133 D135 K141 A142 | F133-R138 HydrophobicContact CD1-CB 4.26Å; D135-R138 HydrophobicContact CB-CB 4.22Å; D135-R138 HydrophobicContact CB-CG 4.1Å; D135-R138 PolarHBondContact O-N 3.3Å; R138-K141 PolarHBondContact O-N 3.46Å; R138-A142 WeakPolarHBondContact O-CB 3.33Å; R138-A142 PolarHBondContact O-N 3.07Å |
| 139 | T | 59.3 | Low | 53.3 | Low | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.6 | -48.2 | 0 | 0 | 0 | 0 | 111.7 | F133 D135 A136 E137 A142 A143 L165 I167 | F133-T139 VanDerWaalsContact CB-OG1 3.24Å; F133-T139 WeakPolarHBondContact CB-OG1 3.42Å; F133-T139 HydrophobicContact CD2-CG2 4.22Å; D135-T139 PolarHBondContact O-N 3.07Å; D135-T139 PolarHBondContact O-OG1 3.23Å; A136-T139 PolarHBondContact O-N 3.39Å; E137-T139 VanDerWaalsContact C-N 3.33Å; E137-T139 PolarHBondContact O-N 2.97Å; T139-A142 PolarHBondContact O-N 2.91Å; T139-A143 WeakPolarHBondContact O-CB 3.47Å; T139-A143 PolarHBondContact O-N 3.29Å; T139-L165 HydrophobicContact CG2-CB 3.4Å; T139-L165 HydrophobicContact CG2-CD1 3.72Å; T139-L165 HydrophobicContact CG2-CD2 4.09Å; T139-L165 HydrophobicContact CG2-CG 3.92Å; T139-I167 HydrophobicContact CG2-CD1 4.08Å; T139-I167 HydrophobicContact CG2-CG1 4.31Å |
| 140 | L | 55.8 | Low | 53.3 | Low | 83 Ų | 83 | 81.6 Ų | 81.6 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 178.8 | -175.8 | 64.8 | 0 | 0 | 0 | 111.4 | A136 E137 A143 Q144 | A136-L140 WeakPolarHBondContact O-CB 3.47Å; A136-L140 PolarHBondContact O-N 3.1Å; E137-L140 PolarHBondContact O-N 3.27Å; L140-A143 PolarHBondContact O-N 3Å; L140-Q144 WeakPolarHBondContact O-CG 3.26Å; L140-Q144 PolarHBondContact O-N 2.98Å |
| 141 | K | 61.2 | Low | 53 | Low | 107 Ų | 107 | 80.7 Ų | 80.7 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.5 | -79.2 | 174.6 | 168.5 | 166.7 | 0 | 111.7 | E137 R138 Q144 Q145 | E137-K141 HydrophobicContact CG-CD 4.5Å; E137-K141 WeakPolarHBondContact O-CB 3.02Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.89Å; E137-K141 WeakPolarHBondContact OE1-CE 3.33Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 3.41Å; R138-K141 PolarHBondContact O-N 3.46Å; K141-Q144 PolarHBondContact O-N 3.43Å; K141-Q145 WeakPolarHBondContact O-CG 3.24Å; K141-Q145 PolarHBondContact O-N 2.93Å |
| 142 | A | 56.6 | Low | 52.7 | Low | 4 Ų | 4 | 79.2 Ų | 79.2 | 3% | 0.033 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F133 R138 T139 Q144 Q145 F146 I167 | F133-A142 HydrophobicContact CE1-CB 3.93Å; F133-A142 HydrophobicContact CE2-CB 3.94Å; F133-A142 HydrophobicContact CZ-CB 3.5Å; F133-A142 VanDerWaalsContact CZ-CB 3.5Å; R138-A142 WeakPolarHBondContact O-CB 3.33Å; R138-A142 PolarHBondContact O-N 3.07Å; T139-A142 PolarHBondContact O-N 2.91Å; A142-Q144 VanDerWaalsContact C-N 3.28Å; A142-Q144 PolarHBondContact O-N 2.9Å; A142-Q145 WeakPolarHBondContact O-CB 3.47Å; A142-Q145 PolarHBondContact O-N 3.34Å; A142-F146 HydrophobicContact CB-CD2 4.42Å; A142-F146 HydrophobicContact CB-CE2 4.26Å; A142-F146 WeakPolarHBondContact O-CD2 3.07Å; A142-F146 PolarHBondContact O-N 2.86Å; A142-I167 HydrophobicContact CB-CD1 4.09Å |
| 143 | A | 57.1 | Low | 52.2 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 2% | 0.017 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T139 L140 T148 L153 | T139-A143 WeakPolarHBondContact O-CB 3.47Å; T139-A143 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 3Å; A143-T148 PolarHBondContact O-N 3.35Å; A143-T148 PolarHBondContact O-OG1 3.38Å; A143-L153 HydrophobicContact CB-CD1 3.96Å; A143-L153 HydrophobicContact CB-CD2 4.09Å; A143-L153 HydrophobicContact CB-CG 4.48Å |
| 144 | Q | 57.4 | Low | 51.7 | Low | 136 Ų | 136 | 78.7 Ų | 78.7 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 174.2 | -74.2 | 175.4 | -13.4 | 0 | 0 | 112.2 | L140 K141 A142 C147 | L140-Q144 WeakPolarHBondContact O-CG 3.26Å; L140-Q144 PolarHBondContact O-N 2.98Å; K141-Q144 PolarHBondContact O-N 3.43Å; A142-Q144 VanDerWaalsContact C-N 3.28Å; A142-Q144 PolarHBondContact O-N 2.9Å; Q144-C147 PolarHBondContact O-N 3.44Å |
| 145 | Q | 57.9 | Low | 51.3 | Low | 94 Ų | 94 | 78 Ų | 78 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 178.8 | -75.5 | 178.1 | -12.4 | 0 | 0 | 113 | K141 A142 C147 | K141-Q145 WeakPolarHBondContact O-CG 3.24Å; K141-Q145 PolarHBondContact O-N 2.93Å; A142-Q145 WeakPolarHBondContact O-CB 3.47Å; A142-Q145 PolarHBondContact O-N 3.34Å; Q145-C147 PolarHBondContact O-N 3.39Å; Q145-C147 VanDerWaalsContact O-N 3.1Å |
| 146 | F | 54.4 | Low | 50.8 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 2.3 | -179.9 | -73.2 | -67.7 | 0 | 0 | 0 | 113.8 | F108 A142 T148 | F108-F146 HydrophobicContact CE1-CE2 4.26Å; F108-F146 AromaticContact CE1-CZ 3.83Å; F108-F146 HydrophobicContact CE1-CZ 3.83Å; F108-F146 HydrophobicContact CZ-CE2 4.21Å; F108-F146 HydrophobicContact CZ-CZ 4.06Å; A142-F146 HydrophobicContact CB-CD2 4.42Å; A142-F146 HydrophobicContact CB-CE2 4.26Å; A142-F146 WeakPolarHBondContact O-CD2 3.07Å; A142-F146 PolarHBondContact O-N 2.86Å; F146-T148 VanDerWaalsContact CB-OG1 3.23Å; F146-T148 WeakPolarHBondContact CB-OG1 3.41Å; F146-T148 PolarHBondContact O-N 3.05Å |
| 147 | C | 50.8 | Low | 50 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 76% | 0.764 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 25.4 | -170.1 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | Q144 Q145 P149 | Q144-C147 PolarHBondContact O-N 3.44Å; Q145-C147 PolarHBondContact O-N 3.39Å; Q145-C147 VanDerWaalsContact O-N 3.1Å; C147-P149 WeakPolarHBondContact O-CD 3.48Å |
| 148 | T | 43.8 | Very low | 49.1 | Very low | 12 Ų | 12 | 78.6 Ų | 78.6 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | | | trans | -77.3 | 115.8 | 179.6 | 8.1 | 0 | 0 | 0 | 0 | 105.3 | A143 F146 I150 H152 | A143-T148 PolarHBondContact O-N 3.35Å; A143-T148 PolarHBondContact O-OG1 3.38Å; F146-T148 VanDerWaalsContact CB-OG1 3.23Å; F146-T148 WeakPolarHBondContact CB-OG1 3.41Å; F146-T148 PolarHBondContact O-N 3.05Å; T148-I150 PolarHBondContact O-N 2.91Å; T148-H152 HydrophobicContact CG2-CB 4.46Å |
| 149 | P | 39.2 | Very low | 48.2 | Very low | 72 Ų | 72 | 78.4 Ų | 78.4 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | | | trans | -56.6 | 136.6 | 176.1 | 9.5 | -14.1 | 0 | 0 | 0 | 108.4 | C147 S151 H152 | C147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-S151 PolarHBondContact O-N 3.2Å; P149-H152 VanDerWaalsContact CG-CD2 3.48Å; P149-H152 WeakPolarHBondContact CG-CD2 3.3Å; P149-H152 PolarHBondContact O-CD2 3Å; P149-H152 PolarHBondContact O-N 3.04Å |
| 150 | I | 42.8 | Very low | 47 | Very low | 124 Ų | 124 | 80.5 Ų | 80.5 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -49.8 | -24.2 | -176.3 | -65.2 | 171.2 | 0 | 0 | 0 | 111.5 | T148 H152 L153 | T148-I150 PolarHBondContact O-N 2.91Å; I150-H152 PolarHBondContact O-N 3.39Å; I150-H152 VanDerWaalsContact O-N 3.14Å; I150-L153 HydrophobicContact CG2-CD1 4.28Å; I150-L153 VanDerWaalsContact O-CB 3.28Å; I150-L153 WeakPolarHBondContact O-CB 3.47Å; I150-L153 PolarHBondContact O-N 3.09Å |
| 151 | S | 43.9 | Very low | 46.2 | Very low | 79 Ų | 79 | 86.7 Ų | 86.7 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -57.3 | -18.1 | 171.7 | 56 | 0 | 0 | 0 | 0 | 115.9 | P149 | P149-S151 PolarHBondContact O-N 3.2Š|
| 152 | H | 42.9 | Very low | 44.9 | Very low | 50 Ų | 50 | 87.5 Ų | 87.5 | 23% | 0.231 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -90.4 | -3.3 | 174.4 | -64.9 | -73.7 | 0 | 0 | 0 | 113.5 | T148 P149 I150 Q154 | T148-H152 HydrophobicContact CG2-CB 4.46Å; P149-H152 VanDerWaalsContact CG-CD2 3.48Å; P149-H152 WeakPolarHBondContact CG-CD2 3.3Å; P149-H152 PolarHBondContact O-CD2 3Å; P149-H152 PolarHBondContact O-N 3.04Å; I150-H152 PolarHBondContact O-N 3.39Å; I150-H152 VanDerWaalsContact O-N 3.14Å; H152-Q154 PolarHBondContact O-N 2.74Å |
| 153 | L | 40.4 | Very low | 43.8 | Very low | 28 Ų | 28 | 91.5 Ų | 91.5 | 15% | 0.147 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 97.6 | 172.6 | -60.5 | -179.2 | 0 | 0 | 0 | 108 | A143 I150 P155 L165 I167 | A143-L153 HydrophobicContact CB-CD1 3.96Å; A143-L153 HydrophobicContact CB-CD2 4.09Å; A143-L153 HydrophobicContact CB-CG 4.48Å; I150-L153 HydrophobicContact CG2-CD1 4.28Å; I150-L153 VanDerWaalsContact O-CB 3.28Å; I150-L153 WeakPolarHBondContact O-CB 3.47Å; I150-L153 PolarHBondContact O-N 3.09Å; L153-P155 WeakPolarHBondContact O-CD 3.26Å; L153-L165 HydrophobicContact CB-CD2 3.7Å; L153-L165 HydrophobicContact CD1-CD2 3.96Å; L153-L165 HydrophobicContact CD2-CD2 3.87Å; L153-L165 HydrophobicContact CG-CD2 4.05Å; L153-I167 HydrophobicContact CD2-CB 4.34Å; L153-I167 HydrophobicContact CD2-CG1 3.78Å; L153-I167 HydrophobicContact CD2-CG2 4.43Å |
| 154 | Q | 48.5 | Very low | 42.6 | Very low | 133 Ų | 133 | 93.9 Ų | 93.9 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.6 | 172.8 | -168 | 176.2 | -11.2 | 0 | 0 | 108.2 | H152 Q156 | H152-Q154 PolarHBondContact O-N 2.74Å; Q154-Q156 PolarHBondContact O-N 3.24Å |
| 155 | P | 43.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 89.7 Ų | 89.7 | 69% | 0.688 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 114.1 | 170.6 | 24 | -29.7 | 0 | 0 | 0 | 107.9 | L153 S157 | L153-P155 WeakPolarHBondContact O-CD 3.26Å; P155-S157 PolarHBondContact O-N 3.09Å |
| 156 | Q | 43.3 | Very low | 40.8 | Very low | 87 Ų | 87 | 87.5 Ų | 87.5 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | | | trans | -77 | 124.2 | 166.6 | -72.5 | -159.7 | 0.1 | 0 | 0 | 108 | Q154 S158 V164 | Q154-Q156 PolarHBondContact O-N 3.24Å; Q156-S158 PolarHBondContact O-N 2.82Å; Q156-V164 PolarHBondContact N-O 3Å |
| 157 | S | 37.6 | Very low | 40.3 | Very low | 120 Ų | 120 | 84.5 Ų | 84.5 | 84% | 0.839 | 49% | 0.492 | S | S | * | . | | | trans | -64 | 98.1 | 172.9 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | P155 | P155-S157 PolarHBondContact O-N 3.09Š|
| 158 | S | 39 | Very low | 39.7 | Very low | 53 Ų | 53 | 81 Ų | 81 | 37% | 0.371 | 47% | 0.467 | S | S | . | . | | | trans | -92.8 | 119.6 | 167.7 | 65.3 | 0 | 0 | 0 | 0 | 108.9 | Q156 G160 D162 | Q156-S158 PolarHBondContact O-N 2.82Å; S158-G160 PolarHBondContact O-N 3.28Å; S158-G160 VanDerWaalsContact O-N 3.09Å; S158-G160 PolarHBondContact OG-O 3.31Å; S158-D162 WeakPolarHBondContact CB-O 3.42Å; S158-D162 PolarHBondContact OG-O 3.03Å |
| 159 | T | 37.6 | Very low | 39.3 | Very low | 160 Ų | 160 | 83.2 Ų | 83.2 | 98% | 0.982 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -75.6 | 26.5 | 167.4 | 43 | 0 | 0 | 0 | 0 | 111.7 | | |
| 160 | G | 34.2 | Very low | 39 | Very low | 48 Ų | 48 | 82.4 Ų | 82.4 | 50% | 0.495 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -144.7 | 163.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110 | S158 D162 | S158-G160 PolarHBondContact O-N 3.28Å; S158-G160 VanDerWaalsContact O-N 3.09Å; S158-G160 PolarHBondContact OG-O 3.31Å; G160-D162 PolarHBondContact O-N 3.48Å |
| 161 | K | 38.7 | Very low | 38.3 | Very low | 213 Ų | 213 | 81 Ų | 81 | 93% | 0.926 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -61.6 | 2.5 | -172.9 | -72.7 | 179.6 | 175 | 179.2 | 0 | 115.6 | | |
| 162 | D | 32.4 | Very low | 37.7 | Very low | 124 Ų | 124 | 86 Ų | 86 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | | | trans | -119.7 | 100.5 | -172.2 | -51.7 | -44.3 | 0 | 0 | 0 | 108.9 | S158 G160 V164 | S158-D162 WeakPolarHBondContact CB-O 3.42Å; S158-D162 PolarHBondContact OG-O 3.03Å; G160-D162 PolarHBondContact O-N 3.48Å; D162-V164 PolarHBondContact O-N 3.42Å |
| 163 | S | 33.7 | Very low | 37.1 | Very low | 88 Ų | 88 | 92.7 Ų | 92.7 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | | | trans | -76.5 | 108.8 | 173.1 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 164 | V | 33.3 | Very low | 36.4 | Very low | 52 Ų | 52 | 103 Ų | 103 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | | | trans | -82.9 | 122.3 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | Q156 D162 | Q156-V164 PolarHBondContact N-O 3Å; D162-V164 PolarHBondContact O-N 3.42Å |
| 165 | L | 36.7 | Very low | 35.5 | Very low | 49 Ų | 49 | 105.3 Ų | 105.3 | 26% | 0.257 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 114 | 173.6 | -106.8 | 139.8 | 0 | 0 | 0 | 108.5 | T139 L153 I167 | T139-L165 HydrophobicContact CG2-CB 3.4Å; T139-L165 HydrophobicContact CG2-CD1 3.72Å; T139-L165 HydrophobicContact CG2-CD2 4.09Å; T139-L165 HydrophobicContact CG2-CG 3.92Å; L153-L165 HydrophobicContact CB-CD2 3.7Å; L153-L165 HydrophobicContact CD1-CD2 3.96Å; L153-L165 HydrophobicContact CD2-CD2 3.87Å; L153-L165 HydrophobicContact CG-CD2 4.05Å; L165-I167 PolarHBondContact O-N 2.9Å |
| 166 | K | 40.8 | Very low | 34.9 | Very low | 48 Ų | 48 | 109.2 Ų | 109.2 | 21% | 0.209 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 108.1 | 175.2 | -173.4 | 171 | -178.9 | 161.8 | 0 | 109.2 | H128 T168 | H128-K166 WeakPolarHBondContact NE2-CE 3.35Å; H128-K166 PolarHBondContact NE2-NZ 2.81Å; K166-T168 HydrophobicContact CD-CG2 4.42Å; K166-T168 HydrophobicContact CG-CG2 4.24Å |
| 167 | I | 42.2 | Very low | 34.4 | Very low | 16 Ų | 16 | 110.2 Ų | 110.2 | 8% | 0.082 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 106.9 | 169.1 | -48.3 | -175.3 | 0 | 0 | 0 | 107.7 | F133 T139 A142 L153 L165 | F133-I167 HydrophobicContact CD2-CD1 4.16Å; F133-I167 HydrophobicContact CE2-CD1 3.6Å; F133-I167 HydrophobicContact CZ-CD1 4.49Å; T139-I167 HydrophobicContact CG2-CD1 4.08Å; T139-I167 HydrophobicContact CG2-CG1 4.31Å; A142-I167 HydrophobicContact CB-CD1 4.09Å; L153-I167 HydrophobicContact CD2-CB 4.34Å; L153-I167 HydrophobicContact CD2-CG1 3.78Å; L153-I167 HydrophobicContact CD2-CG2 4.43Å; L165-I167 PolarHBondContact O-N 2.9Å |
| 168 | T | 39.5 | Very low | 34.2 | Very low | 39 Ų | 39 | 114 Ų | 114 | 24% | 0.239 | 57% | 0.573 | C | S | . | * | | | trans | -88.9 | 108.8 | 169.2 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | K166 T170 | K166-T168 HydrophobicContact CD-CG2 4.42Å; K166-T168 HydrophobicContact CG-CG2 4.24Å; T168-T170 VanDerWaalsContact C-N 3.34Å; T168-T170 PolarHBondContact O-N 2.61Å; T168-T170 PolarHBondContact O-OG1 3.34Å |
| 169 | D | 34.5 | Very low | 33.9 | Very low | 58 Ų | 58 | 115 Ų | 115 | 31% | 0.31 | 59% | 0.591 | S | S | . | * | | | trans | -69.9 | 89.4 | 175.6 | -157.9 | 16 | 0 | 0 | 0 | 110 | V171 | D169-V171 PolarHBondContact O-N 2.96Å; D169-V171 WeakPolarHBondContact OD1-CG2 3.07Å |
| 170 | T | 32.7 | Very low | 33.4 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 34% | 0.344 | 58% | 0.575 | S | S | . | * | | | trans | -94.7 | 77.7 | 176.3 | -40.4 | 0 | 0 | 0 | 0 | 108.3 | T168 Y172 | T168-T170 VanDerWaalsContact C-N 3.34Å; T168-T170 PolarHBondContact O-N 2.61Å; T168-T170 PolarHBondContact O-OG1 3.34Å; T170-Y172 HydrophobicContact CG2-CD2 4.44Å; T170-Y172 HydrophobicContact CG2-CE2 3.85Å; T170-Y172 WeakPolarHBondContact O-CD2 3.43Å; T170-Y172 PolarHBondContact O-N 3.34Å |
| 171 | V | 29.5 | Very low | 33.2 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | | | trans | -72.7 | 97.7 | 178.1 | -176 | 0 | 0 | 0 | 0 | 109.9 | D169 K173 | D169-V171 PolarHBondContact O-N 2.96Å; D169-V171 WeakPolarHBondContact OD1-CG2 3.07Å; V171-K173 HydrophobicContact CG1-CG 4.26Å; V171-K173 PolarHBondContact O-N 3.29Å |
| 172 | Y | 30.4 | Very low | 32.9 | Very low | 183 Ų | 183 | 116.7 Ų | 116.7 | 72% | 0.718 | 59% | 0.589 | S | S | * | * | | | trans | -71.6 | 91.8 | 167.2 | -67 | -83.3 | 0 | 0 | 0 | 109.7 | T170 R174 | T170-Y172 HydrophobicContact CG2-CD2 4.44Å; T170-Y172 HydrophobicContact CG2-CE2 3.85Å; T170-Y172 WeakPolarHBondContact O-CD2 3.43Å; T170-Y172 PolarHBondContact O-N 3.34Å; Y172-R174 PolarHBondContact O-N 2.85Å |
| 173 | K | 30.3 | Very low | 32.8 | Very low | 191 Ų | 191 | 114.8 Ų | 114.8 | 83% | 0.83 | 59% | 0.591 | S | S | * | * | | | trans | -63.6 | 103.9 | 167.6 | -76.1 | -176.2 | 178.4 | 172.2 | 0 | 109.2 | V171 K175 | V171-K173 HydrophobicContact CG1-CG 4.26Å; V171-K173 PolarHBondContact O-N 3.29Å; K173-K175 PolarHBondContact O-N 2.84Å; K173-K175 VanDerWaalsContact O-N 3.08Å |
| 174 | R | 25.8 | Very low | 32.8 | Very low | 245 Ų | 245 | 117.9 Ų | 117.9 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | | | trans | -58 | 114.6 | 166.7 | -98.2 | -177.3 | 173.4 | 171.1 | -0.8 | 108.6 | Y172 K176 | Y172-R174 PolarHBondContact O-N 2.85Å; R174-K176 PolarHBondContact O-N 2.65Å |
| 175 | K | 29.5 | Very low | 32.6 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.9 | 170.4 | -159.2 | 174.2 | -173.1 | 173.8 | 0 | 107.5 | K173 | K173-K175 PolarHBondContact O-N 2.84Å; K173-K175 VanDerWaalsContact O-N 3.08Å |
| 176 | K | 31.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.8 | 173 | -77 | -176.1 | 178.6 | 179.5 | 0 | 108 | R174 K178 | R174-K176 PolarHBondContact O-N 2.65Å; K176-K178 PolarHBondContact O-N 3.01Å |
| 177 | P | 32 | Very low | 32.7 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 116.8 | 176.9 | 21.6 | -30 | 0 | 0 | 0 | 108.3 | G179 | P177-G179 PolarHBondContact O-N 2.87Å; P177-G179 VanDerWaalsContact O-N 3.15Å |
| 178 | K | 33.4 | Very low | 32.5 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 108.2 | 170.9 | -76.6 | -175.3 | 176.3 | -176.1 | 0 | 107 | K176 | K176-K178 PolarHBondContact O-N 3.01Š|
| 179 | G | 33 | Very low | 32.3 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.4 | 51.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P177 Q181 | P177-G179 PolarHBondContact O-N 2.87Å; P177-G179 VanDerWaalsContact O-N 3.15Å; G179-Q181 PolarHBondContact O-N 3.11Å |
| 180 | V | 28.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | trans | -85.1 | 93.5 | 150.9 | -176.5 | 0 | 0 | 0 | 0 | 106.8 | L182 | V180-L182 PolarHBondContact O-N 2.95Å; V180-L182 VanDerWaalsContact O-N 3.07Å |
| 181 | Q | 28.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -66.6 | 103.4 | 161.4 | -72.4 | -175 | 28.6 | 0 | 0 | 106.4 | G179 A183 | G179-Q181 PolarHBondContact O-N 3.11Å; Q181-A183 PolarHBondContact O-N 2.97Å |
| 182 | L | 32.1 | Very low | 33 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 107 | 164.3 | -97 | 117.8 | 0 | 0 | 0 | 106.9 | V180 E184 | V180-L182 PolarHBondContact O-N 2.95Å; V180-L182 VanDerWaalsContact O-N 3.07Å; L182-E184 PolarHBondContact O-N 3.47Å; L182-E184 VanDerWaalsContact O-N 3.11Å |
| 183 | A | 31 | Very low | 33.2 | Very low | 84 Ų | 84 | 154.3 Ų | 154.3 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -61.3 | 115.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q181 V185 | Q181-A183 PolarHBondContact O-N 2.97Å; A183-V185 PolarHBondContact O-N 2.83Å |
| 184 | E | 33 | Very low | 33.3 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | trans | -51.8 | 109.4 | 173 | -165.8 | -177.4 | -153.2 | 0 | 0 | 108.5 | L182 K186 | L182-E184 PolarHBondContact O-N 3.47Å; L182-E184 VanDerWaalsContact O-N 3.11Å; E184-K186 PolarHBondContact O-N 3.46Å; E184-K186 VanDerWaalsContact OE2-CE 3.24Å; E184-K186 WeakPolarHBondContact OE2-CE 3.49Å; E184-K186 IonicContact OE2-NZ 3.82Å |
| 185 | V | 30.6 | Very low | 33.6 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 84 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108 | A183 S187 | A183-V185 PolarHBondContact O-N 2.83Å; V185-S187 PolarHBondContact O-N 2.88Å |
| 186 | K | 37.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 146 Ų | 146 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -75.7 | 75 | 165.8 | -74.7 | -176.6 | 179.8 | 172.8 | 0 | 109.1 | E184 | E184-K186 PolarHBondContact O-N 3.46Å; E184-K186 VanDerWaalsContact OE2-CE 3.24Å; E184-K186 WeakPolarHBondContact OE2-CE 3.49Å; E184-K186 IonicContact OE2-NZ 3.82Å |
| 187 | S | 41.1 | Very low | 34 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 166.5 | 131.6 | 147.2 | 40.6 | 0 | 0 | 0 | 0 | 110.8 | V185 | V185-S187 PolarHBondContact O-N 2.88Š|
| 188 | K | 38.9 | Very low | 34.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -57 | 133.1 | 168.4 | -102.5 | 174.1 | 172.3 | 175.9 | 0 | 109.3 | Q190 | K188-Q190 PolarHBondContact O-N 2.63Š|
| 189 | P | 34.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 112.4 | 164.7 | 25.1 | -28.7 | 0 | 0 | 0 | 108.2 | L191 | P189-L191 PolarHBondContact O-N 3.1Š|
| 190 | Q | 34.7 | Very low | 34.5 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -78.4 | 112.7 | 166.6 | -73.8 | -174.2 | 11.9 | 0 | 0 | 107.4 | K188 | K188-Q190 PolarHBondContact O-N 2.63Š|
| 191 | L | 37.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -62.6 | 141.1 | 165.9 | -76.1 | 161.9 | 0 | 0 | 0 | 109.1 | P189 F193 | P189-L191 PolarHBondContact O-N 3.1Å; L191-F193 PolarHBondContact O-N 2.82Å |
| 192 | P | 40.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -63.6 | 120.1 | 179.8 | 24 | -30.6 | 0 | 0 | 0 | 110.6 | G194 | P192-G194 PolarHBondContact O-N 3.35Š|
| 193 | F | 33.7 | Very low | 35.9 | Very low | 207 Ų | 207 | 144 Ų | 144 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | | | trans | -72.6 | 115.3 | 171.6 | -76.8 | -89.9 | 0 | 0 | 0 | 110.5 | L191 | L191-F193 PolarHBondContact O-N 2.82Š|
| 194 | G | 32.9 | Very low | 36 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | -179.8 | 113.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | P192 | P192-G194 PolarHBondContact O-N 3.35Š|
| 195 | C | 32 | Very low | 36.2 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | | | cis | -138.8 | 128.5 | 43.5 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 196 | R | 32 | Very low | 36.4 | Very low | 235 Ų | 235 | 144.9 Ų | 144.9 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -113.1 | 118.1 | 161.1 | -133 | -175.7 | -172.9 | -168.1 | 1.8 | 105.8 | | |
| 197 | N | 36.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -159.2 | 93.2 | 151.8 | -87.4 | -16.4 | 0 | 0 | 0 | 104.8 | | |
| 198 | T | 33.5 | Very low | 35.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | | 39.2 | 103.7 | 104.3 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 199 | L | 39.2 | Very low | 35.7 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | | -162.4 | 140.6 | 122.6 | -100.5 | 160 | 0 | 0 | 0 | 109.9 | | |
| 200 | S | 37.2 | Very low | 35.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | | | trans | -79.8 | 159.5 | -163.6 | -44 | 0 | 0 | 0 | 0 | 113.1 | | |
| 201 | E | 42.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | 72.1 | 115.7 | 141.2 | -75.9 | 169.8 | -168.7 | 0 | 0 | 120.4 | | |
| 202 | L | 38.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | | | trans | 96.6 | 149 | 137.8 | -68.2 | 168.4 | 0 | 0 | 0 | 119.4 | | |
| 203 | P | 37.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | | | | -124.8 | 170.7 | -129.8 | 42.6 | -28.3 | 0 | 0 | 0 | 114.7 | | |
| 204 | V | 32.2 | Very low | 35.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | | | trans | 50.7 | 107.5 | 151.9 | -179.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 205 | V | 36.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -143.9 | 122.8 | 135.9 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 206 | S | 35.2 | Very low | 35.5 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -67.4 | 140.6 | 172 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 207 | G | 35.3 | Very low | 35.5 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -163.1 | 95.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 208 | T | 30.6 | Very low | 35.2 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | -69 | 133.1 | 168.1 | 40.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 209 | S | 37 | Very low | 35 | Very low | 127 Ų | 127 | 135 Ų | 135 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -155.8 | 124.9 | 148.2 | -83.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 210 | E | 35.5 | Very low | 34.6 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -64.1 | 151.3 | 174.1 | -61.4 | 166.3 | 127 | 0 | 0 | 111.6 | | |
| 211 | L | 35.7 | Very low | 34.2 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | | 160.2 | 122.8 | 115.4 | -84.1 | 160.3 | 0 | 0 | 0 | 112.7 | | |
| 212 | S | 32.9 | Very low | 33.6 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | | | trans | 69.2 | 123.6 | 143 | -141.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 213 | P | 35.4 | Very low | 33 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -110.3 | 105.8 | 146.6 | 32.5 | -17.7 | 0 | 0 | 0 | 110.1 | | |
| 214 | E | 36.6 | Very low | 32.4 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | | | trans | -108.5 | 132.2 | 162.9 | -95.3 | -166.1 | 118.5 | 0 | 0 | 110.2 | | |
| 215 | Q | 33.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 141 Ų | 141 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | 66.1 | 106.1 | 145.7 | -60.5 | 174.4 | 11.5 | 0 | 0 | 118.7 | | |
| 216 | N | 33.4 | Very low | 31.6 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -140 | 103.3 | 132.8 | -94.7 | -50.7 | 0 | 0 | 0 | 109 | | |
| 217 | I | 30.6 | Very low | 31 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -76.8 | 116.6 | 161.7 | -65 | 168.2 | 0 | 0 | 0 | 105.4 | | |
| 218 | A | 31.7 | Very low | 30.7 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | | | trans | -112.6 | 109.1 | 164 | 0 | 0 | 0 | 0 | 0 | 107.7 | F220 | A218-F220 HydrophobicContact CB-CD2 4.38Å; A218-F220 HydrophobicContact CB-CE2 4.22Å; A218-F220 PolarHBondContact O-N 3.49Å |
| 219 | D | 28.5 | Very low | 30.4 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -53.6 | 118.7 | 164.3 | -82.7 | -41.5 | 0 | 0 | 0 | 109.8 | | |
| 220 | F | 31 | Very low | 29.7 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | -125.4 | 93.4 | 157.1 | -81.5 | -84.5 | 0 | 0 | 0 | 107.9 | A218 E222 | A218-F220 HydrophobicContact CB-CD2 4.38Å; A218-F220 HydrophobicContact CB-CE2 4.22Å; A218-F220 PolarHBondContact O-N 3.49Å; F220-E222 PolarHBondContact O-N 2.78Å |
| 221 | N | 28.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -74.7 | 103 | 158.2 | -85.2 | -38.6 | 0 | 0 | 0 | 107.5 | | |
| 222 | E | 28.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | -112.2 | 101.6 | 161.6 | -78.3 | -167.9 | 150.4 | 0 | 0 | 109.8 | F220 F224 | F220-E222 PolarHBondContact O-N 2.78Å; E222-F224 HydrophobicContact CB-CD2 4.02Å; E222-F224 HydrophobicContact CB-CE2 3.71Å; E222-F224 HydrophobicContact CG-CE2 4.36Å; E222-F224 PolarHBondContact O-N 3.18Å; E222-F224 VanDerWaalsContact OE2-CE2 3.31Å; E222-F224 WeakPolarHBondContact OE2-CE2 3.11Å |
| 223 | E | 25.5 | Very low | 28.2 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -74.7 | 101.7 | 167.9 | -172.4 | 178.9 | -161 | 0 | 0 | 108.4 | | |
| 224 | F | 25.4 | Very low | 27.7 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 75% | 0.746 | 77% | 0.771 | S | S | * | * | | | trans | -92.3 | 108.2 | 173.2 | -84.1 | -82.8 | 0 | 0 | 0 | 111.6 | E222 C226 | E222-F224 HydrophobicContact CB-CD2 4.02Å; E222-F224 HydrophobicContact CB-CE2 3.71Å; E222-F224 HydrophobicContact CG-CE2 4.36Å; E222-F224 PolarHBondContact O-N 3.18Å; E222-F224 VanDerWaalsContact OE2-CE2 3.31Å; E222-F224 WeakPolarHBondContact OE2-CE2 3.11Å; F224-C226 PolarHBondContact O-N 3.45Å |
| 225 | V | 26.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 146 Ų | 146 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -66 | 114.5 | 168.9 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | G227 | V225-G227 PolarHBondContact O-N 3.15Å; V225-G227 VanDerWaalsContact O-N 3.11Å |
| 226 | C | 25 | Very low | 27 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 95% | 0.946 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 98.4 | 173.5 | -169.4 | 0 | 0 | 0 | 0 | 110 | F224 | F224-C226 PolarHBondContact O-N 3.45Š|
| 227 | G | 24.2 | Very low | 26.8 | Very low | 59 Ų | 59 | 145.6 Ų | 145.6 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -125.8 | 117.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | V225 | V225-G227 PolarHBondContact O-N 3.15Å; V225-G227 VanDerWaalsContact O-N 3.11Å |
| 228 | K | 28.5 | Very low | 26.7 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | | | trans | 69.4 | 104 | 158.7 | -62.8 | -176.6 | 179.3 | 175.9 | 0 | 118.4 | L230 | K228-L230 PolarHBondContact O-N 3.48Š|
| 229 | V | 24.1 | Very low | 26.6 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -58.8 | 117.8 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 230 | L | 22.9 | Very low | 26.7 | Very low | 151 Ų | 151 | 152 Ų | 152 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -94.8 | 106.5 | 169.5 | -128.3 | 143.4 | 0 | 0 | 0 | 108.2 | K228 V232 | K228-L230 PolarHBondContact O-N 3.48Å; L230-V232 HydrophobicContact CD2-CG2 4.41Å; L230-V232 PolarHBondContact O-N 3.09Å; L230-V232 VanDerWaalsContact O-N 3.11Å |
| 231 | N | 23.9 | Very low | 26.7 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -67.1 | 100.3 | 170.8 | -98.6 | -65.8 | 0 | 0 | 0 | 109.2 | | |
| 232 | V | 24.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 67% | 0.667 | 79% | 0.791 | S | S | * | * | | | trans | -92.3 | 100.5 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | L230 L234 | L230-V232 HydrophobicContact CD2-CG2 4.41Å; L230-V232 PolarHBondContact O-N 3.09Å; L230-V232 VanDerWaalsContact O-N 3.11Å; V232-L234 HydrophobicContact CG1-CD1 4.49Å; V232-L234 HydrophobicContact CG1-CG 4.15Å; V232-L234 PolarHBondContact O-N 2.77Å |
| 233 | K | 23.7 | Very low | 27.1 | Very low | 181 Ų | 181 | 153 Ų | 153 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | | | trans | -86.5 | 94.7 | 172.4 | -162.1 | 178.4 | -171.9 | 179.8 | 0 | 107.9 | L235 | K233-L235 PolarHBondContact O-N 3.25Š|
| 234 | L | 25.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -79.1 | 103.7 | 171.9 | -84.8 | 160.4 | 0 | 0 | 0 | 109.6 | V232 Y236 | V232-L234 HydrophobicContact CG1-CD1 4.49Å; V232-L234 HydrophobicContact CG1-CG 4.15Å; V232-L234 PolarHBondContact O-N 2.77Å; L234-Y236 HydrophobicContact CD2-CD2 4.45Å; L234-Y236 HydrophobicContact CD2-CE2 4.14Å |
| 235 | L | 24.2 | Very low | 27.6 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | -86.4 | 117.8 | 164.8 | -82.5 | 153.2 | 0 | 0 | 0 | 108.3 | K233 | K233-L235 PolarHBondContact O-N 3.25Š|
| 236 | Y | 29.8 | Very low | 27.7 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -135 | 141.6 | 154.9 | -84.9 | -81.4 | 0 | 0 | 0 | 110.1 | L234 | L234-Y236 HydrophobicContact CD2-CD2 4.45Å; L234-Y236 HydrophobicContact CD2-CE2 4.14Å |
| 237 | P | 28.9 | Very low | 27.8 | Very low | 103 Ų | 103 | 155.4 Ų | 155.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | -87.8 | 149.4 | -159.4 | 35.6 | -33.8 | 0 | 0 | 0 | 113.1 | | |
| 238 | D | 28.6 | Very low | 28.1 | Very low | 153 Ų | 153 | 160.6 Ų | 160.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 47.2 | 84.1 | 150.8 | -56.6 | -29.4 | 0 | 0 | 0 | 118.9 | | |
| 239 | V | 29.4 | Very low | 28 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | | -164.3 | 65.8 | 128.5 | -166 | 0 | 0 | 0 | 0 | 109.3 | | |
| 240 | F | 30.9 | Very low | 28.2 | Very low | 207 Ų | 207 | 160.7 Ų | 160.7 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | | | trans | -143.2 | 104.1 | 158.9 | -82.7 | -79.5 | 0 | 0 | 0 | 107.7 | K242 | F240-K242 PolarHBondContact O-N 3.02Å; F240-K242 VanDerWaalsContact O-N 3.12Å |
| 241 | E | 31 | Very low | 28.4 | Very low | 196 Ų | 196 | 160.9 Ų | 160.9 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -58.1 | 115.9 | 162.5 | -90.2 | -178.5 | 143 | 0 | 0 | 107.7 | | |
| 242 | K | 33.4 | Very low | 28.8 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -54.6 | 141.2 | 169.7 | -67.6 | 172 | 177.9 | 171.7 | 0 | 108.5 | F240 T244 | F240-K242 PolarHBondContact O-N 3.02Å; F240-K242 VanDerWaalsContact O-N 3.12Å; K242-T244 VanDerWaalsContact C-N 3.29Å; K242-T244 PolarHBondContact O-N 2.64Å |
| 243 | P | 32.6 | Very low | 29 | Very low | 128 Ų | 128 | 162.1 Ų | 162.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | | | trans | -64.7 | 105 | 149 | 28 | -27.1 | 0 | 0 | 0 | 106.1 | R245 | P243-R245 PolarHBondContact O-N 2.85Å; P243-R245 VanDerWaalsContact O-N 3.07Å |
| 244 | T | 32 | Very low | 29.2 | Very low | 113 Ų | 113 | 162.2 Ų | 162.2 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | | | trans | -53.7 | 113.7 | 172.9 | -51.6 | 0 | 0 | 0 | 0 | 108.2 | K242 V246 | K242-T244 VanDerWaalsContact C-N 3.29Å; K242-T244 PolarHBondContact O-N 2.64Å; T244-V246 HydrophobicContact CG2-CG2 3.76Å; T244-V246 PolarHBondContact O-N 3.1Å |
| 245 | R | 28.9 | Very low | 29.4 | Very low | 246 Ų | 246 | 164 Ų | 164 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | | | trans | -59.6 | 90 | 158.4 | -84.3 | -178.1 | 167.6 | -179 | -3.6 | 107.6 | P243 K247 | P243-R245 PolarHBondContact O-N 2.85Å; P243-R245 VanDerWaalsContact O-N 3.07Å; R245-K247 PolarHBondContact O-N 3.27Å |
| 246 | V | 29.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 71% | 0.709 | 83% | 0.828 | S | S | * | * | | | trans | -84.6 | 110.2 | 163.4 | -178 | 0 | 0 | 0 | 0 | 107 | T244 H248 | T244-V246 HydrophobicContact CG2-CG2 3.76Å; T244-V246 PolarHBondContact O-N 3.1Å; V246-H248 PolarHBondContact O-N 2.82Å |
| 247 | K | 28.2 | Very low | 29.7 | Very low | 194 Ų | 194 | 165.4 Ų | 165.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | | | trans | -64.6 | 115.7 | 164.8 | -74.8 | 174.7 | 171.3 | 179.5 | 0 | 109.2 | R245 | R245-K247 PolarHBondContact O-N 3.27Š|
| 248 | H | 30.7 | Very low | 29.6 | Very low | 169 Ų | 169 | 170.4 Ų | 170.4 | 78% | 0.782 | 84% | 0.843 | S | S | * | * | | | trans | -166.3 | 97 | 146.7 | -100.1 | -54.4 | 0 | 0 | 0 | 102.9 | V246 | V246-H248 PolarHBondContact O-N 2.82Š|
| 249 | M | 26.3 | Very low | 29.7 | Very low | 171 Ų | 171 | 166.8 Ų | 166.8 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | | | | 40.8 | 103.1 | 58.1 | -114.4 | -172.4 | 178.7 | 0 | 0 | 111.8 | | |
| 250 | Q | 27.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 168.1 Ų | 168.1 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | | | trans | 89.5 | 129.1 | 174.3 | -62 | 170 | -24.3 | 0 | 0 | 114.7 | | |
| 251 | D | 28.2 | Very low | 29.8 | Very low | 154 Ų | 154 | 165.4 Ų | 165.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | 96.5 | 128.9 | 169.5 | -50.2 | -28.4 | 0 | 0 | 0 | 117.2 | | |
| 252 | V | 30.5 | Very low | 30.3 | Very low | 137 Ų | 137 | 168.5 Ų | 168.5 | 83% | 0.83 | 85% | 0.849 | S | S | * | * | S | Bend | trans | 89.4 | 48.5 | 169.8 | -150.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 253 | V | 29.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 168.1 Ų | 168.1 | 92% | 0.921 | 85% | 0.853 | S | S | * | * | | | trans | -149.1 | 72.2 | 134.2 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 254 | Q | 27.7 | Very low | 30 | Very low | 183 Ų | 183 | 170.2 Ų | 170.2 | 86% | 0.855 | 85% | 0.854 | S | S | * | * | | | trans | -107.8 | 141.7 | 158.4 | -96.1 | -173.4 | -12.5 | 0 | 0 | 107.4 | | |
| 255 | E | 29.9 | Very low | 29.9 | Very low | 180 Ų | 180 | 173.4 Ų | 173.4 | 84% | 0.841 | 86% | 0.863 | S | S | * | * | | | trans | 77.9 | 83.3 | 170.9 | -57.8 | -164.8 | 149.3 | 0 | 0 | 118 | | |
| 256 | L | 28 | Very low | 29.9 | Very low | 179 Ų | 179 | 169.1 Ų | 169.1 | 94% | 0.937 | 86% | 0.859 | S | S | * | * | | | | -141.8 | 77.1 | 122.6 | -100 | 159.7 | 0 | 0 | 0 | 106.8 | | |
| 257 | K | 31.8 | Very low | 30 | Very low | 202 Ų | 202 | 172.4 Ų | 172.4 | 88% | 0.878 | 87% | 0.869 | S | S | * | * | | | trans | -76.3 | 128.5 | 171.2 | -103.1 | -179.1 | 178.2 | 176.4 | 0 | 108.7 | | |
| 258 | F | 28.7 | Very low | 30.1 | Very low | 209 Ų | 209 | 170.9 Ų | 170.9 | 92% | 0.917 | 87% | 0.871 | S | S | * | * | | | trans | -31.7 | 136.6 | 162.5 | -72.7 | -96.5 | 0 | 0 | 0 | 115 | | |
| 259 | G | 30.7 | Very low | 30 | Very low | 76 Ų | 76 | 171.1 Ų | 171.1 | 78% | 0.784 | 88% | 0.877 | S | S | * | * | | | trans | -165.6 | 67.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 260 | I | 25.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 171.1 Ų | 171.1 | 86% | 0.856 | 88% | 0.88 | S | S | * | * | | | trans | -93.9 | 107.9 | 157.7 | -63.3 | 172.7 | 0 | 0 | 0 | 105.9 | | |
| 261 | I | 37 | Very low | 30.6 | Very low | 150 Ų | 150 | 170.9 Ų | 170.9 | 77% | 0.769 | 89% | 0.885 | S | S | * | * | | | trans | -146.6 | 115.5 | 160.2 | -58.1 | -175.9 | 0 | 0 | 0 | 108.8 | | |
| 262 | H | 40.1 | Very low | 30.8 | Very low | 262 Ų | 262 | 172.5 Ų | 172.5 | 100% | 1.213 | 89% | 0.891 | S | S | * | * | | | trans | 59.7 | 0 | 166.6 | -76.6 | -67.2 | 0 | 0 | 0 | 120.8 | | |