| 1 | M | 38.5 | Very low | 35.5 | Very low | 233 Ų | 233 | 155 Ų | 155 | 100% | 1.148 | 83% | 0.83 | S | S | * | * | | | | 0 | 105.7 | 0 | -172.7 | 170.8 | -173.9 | 0 | 0 | 107.2 | | |
| 2 | V | 36.9 | Very low | 35 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | | | trans | -91.7 | 108.5 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | R4 | V2-R4 PolarHBondContact O-N 3.5Š|
| 3 | V | 36.2 | Very low | 35.2 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | -73.4 | 104.8 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | S5 | V3-S5 PolarHBondContact O-N 3.31Š|
| 4 | R | 36.3 | Very low | 35 | Very low | 223 Ų | 223 | 145.8 Ų | 145.8 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -75.8 | 108.3 | 169.3 | -70.3 | -178 | -176.3 | -177.5 | 1 | 107.7 | V2 M6 | V2-R4 PolarHBondContact O-N 3.5Å; R4-M6 PolarHBondContact O-N 3.41Å; R4-M6 VanDerWaalsContact O-N 3.14Å |
| 5 | S | 33.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -65.5 | 109.6 | 168 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | V3 G7 | V3-S5 PolarHBondContact O-N 3.31Å; S5-G7 PolarHBondContact O-N 3.29Å |
| 6 | M | 38.4 | Very low | 34.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | -74 | 109.6 | 176.4 | -69.2 | -126.4 | -73.5 | 0 | 0 | 108.4 | R4 H8 | R4-M6 PolarHBondContact O-N 3.41Å; R4-M6 VanDerWaalsContact O-N 3.14Å; M6-H8 PolarHBondContact O-N 3.45Å; M6-H8 VanDerWaalsContact O-N 3.1Å |
| 7 | G | 33.7 | Very low | 34.8 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -61.8 | 109.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S5 K9 | S5-G7 PolarHBondContact O-N 3.29Å; G7-K9 PolarHBondContact O-N 3.33Å |
| 8 | H | 33.7 | Very low | 34.6 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -72.3 | 95.9 | 166.9 | -77.7 | -80.7 | 0 | 0 | 0 | 108.8 | M6 T10 | M6-H8 PolarHBondContact O-N 3.45Å; M6-H8 VanDerWaalsContact O-N 3.1Å; H8-T10 VanDerWaalsContact C-N 3.32Å; H8-T10 PolarHBondContact O-N 3.5Å; H8-T10 VanDerWaalsContact O-N 3.12Å |
| 9 | K | 35.1 | Very low | 34.8 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -72 | 88.3 | 159.6 | -76.9 | -178.1 | 175.9 | -178 | 0 | 107.9 | G7 N11 | G7-K9 PolarHBondContact O-N 3.33Å; K9-N11 PolarHBondContact O-N 3.35Å |
| 10 | T | 35.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -80.7 | 108.5 | 164.4 | 44.6 | 0 | 0 | 0 | 0 | 108.2 | H8 S12 | H8-T10 VanDerWaalsContact C-N 3.32Å; H8-T10 PolarHBondContact O-N 3.5Å; H8-T10 VanDerWaalsContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.31Å |
| 11 | N | 32.7 | Very low | 34.7 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -50.6 | 126.6 | 177.2 | -63.4 | -55.2 | 0 | 0 | 0 | 111.4 | K9 P13 | K9-N11 PolarHBondContact O-N 3.35Å; N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.49Å |
| 12 | S | 29.1 | Very low | 34.4 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -58.1 | 118.5 | 166.2 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | T10 S14 | T10-S12 PolarHBondContact O-N 3.31Å; S12-S14 PolarHBondContact O-N 3.39Å; S12-S14 VanDerWaalsContact O-N 3.14Å |
| 13 | P | 38.5 | Very low | 33.9 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -69.2 | 112.2 | 163.1 | -6.8 | 23.8 | 0 | 0 | 0 | 106.5 | N11 A15 | N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-A15 PolarHBondContact O-N 3.27Å |
| 14 | S | 32.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -57.3 | 82.9 | 160.6 | 173.5 | 0 | 0 | 0 | 0 | 108.4 | S12 T16 | S12-S14 PolarHBondContact O-N 3.39Å; S12-S14 VanDerWaalsContact O-N 3.14Å; S14-T16 PolarHBondContact O-N 3.37Å; S14-T16 PolarHBondContact OG-OG1 3.23Å |
| 15 | A | 35.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -77.3 | 78.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | P13 G17 | P13-A15 PolarHBondContact O-N 3.27Å; A15-G17 PolarHBondContact O-N 3.16Å |
| 16 | T | 32.5 | Very low | 33 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | -68.2 | 69.5 | 164.4 | -41.1 | 0 | 0 | 0 | 0 | 107.5 | S14 T18 | S14-T16 PolarHBondContact O-N 3.37Å; S14-T16 PolarHBondContact OG-OG1 3.23Å; T16-T18 PolarHBondContact O-N 3.28Å |
| 17 | G | 32.1 | Very low | 32.7 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 98.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A15 L19 | A15-G17 PolarHBondContact O-N 3.16Å; G17-L19 PolarHBondContact O-N 3.15Å; G17-L19 VanDerWaalsContact O-N 3.13Å |
| 18 | T | 31.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -53.1 | 116.1 | 168.6 | 29.7 | 0 | 0 | 0 | 0 | 109.2 | T16 L20 | T16-T18 PolarHBondContact O-N 3.28Å; T18-L20 PolarHBondContact O-N 3.44Å |
| 19 | L | 38.6 | Very low | 33.1 | Very low | 179 Ų | 179 | 120.7 Ų | 120.7 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | | | trans | -65 | 85 | 168.3 | -63.3 | 170.8 | 0 | 0 | 0 | 107.8 | G17 N21 | G17-L19 PolarHBondContact O-N 3.15Å; G17-L19 VanDerWaalsContact O-N 3.13Å; L19-N21 PolarHBondContact O-N 3.12Å |
| 20 | L | 36.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -68.4 | 101.3 | 168 | -82.3 | 160.8 | 0 | 0 | 0 | 107.5 | T18 G22 | T18-L20 PolarHBondContact O-N 3.44Å; L20-G22 PolarHBondContact O-N 3.15Å; L20-G22 VanDerWaalsContact O-N 3.14Å |
| 21 | N | 31.2 | Very low | 33.5 | Very low | 169 Ų | 169 | 118.9 Ų | 118.9 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | -36.7 | 108.1 | 164.1 | -169.1 | 9 | 0 | 0 | 0 | 111.4 | L19 | L19-N21 PolarHBondContact O-N 3.12Š|
| 22 | G | 31.2 | Very low | 33.7 | Very low | 69 Ų | 69 | 116.5 Ų | 116.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -158.7 | 94.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L20 | L20-G22 PolarHBondContact O-N 3.15Å; L20-G22 VanDerWaalsContact O-N 3.14Å |
| 23 | G | 26.2 | Very low | 34.3 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 77.4 | 104.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G25 | G23-G25 PolarHBondContact O-N 3.28Š|
| 24 | G | 26.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 94% | 0.938 | 75% | 0.753 | S | S | * | * | | | trans | -53.9 | 129.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 25 | G | 29.7 | Very low | 35 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 177.7 | 88 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G23 | G23-G25 PolarHBondContact O-N 3.28Š|
| 26 | G | 32.1 | Very low | 35.4 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | 82.7 | 96.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H28 | G26-H28 PolarHBondContact O-N 3.23Š|
| 27 | H | 32.2 | Very low | 35.8 | Very low | 183 Ų | 183 | 120.5 Ų | 120.5 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -60.1 | 78.5 | 150.6 | -79.6 | -109.2 | 0 | 0 | 0 | 107.8 | L29 | H27-L29 HydrophobicContact CB-CD1 4.22Å; H27-L29 PolarHBondContact O-N 3.32Å |
| 28 | H | 34.7 | Very low | 36.9 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 68% | 0.676 | 76% | 0.764 | S | S | * | * | | | trans | -68.5 | 85.2 | 150.2 | -158.5 | 122.2 | 0 | 0 | 0 | 103.2 | G26 M30 | G26-H28 PolarHBondContact O-N 3.23Å; H28-M30 WeakPolarHBondContact CD2-CE 3.35Å; H28-M30 WeakPolarHBondContact NE2-CE 3.28Å; H28-M30 PolarHBondContact O-N 3.21Å |
| 29 | L | 39.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | -56.3 | 94.6 | 157.4 | -86 | 114.2 | 0 | 0 | 0 | 103.9 | H27 L31 | H27-L29 HydrophobicContact CB-CD1 4.22Å; H27-L29 PolarHBondContact O-N 3.32Å; L29-L31 PolarHBondContact O-N 3.26Å |
| 30 | M | 39.5 | Very low | 38.1 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 64% | 0.635 | 75% | 0.752 | S | S | * | * | | | trans | -56.3 | 91.1 | 157.1 | -67.3 | -101 | 102 | 0 | 0 | 103.1 | H28 S32 | H28-M30 WeakPolarHBondContact CD2-CE 3.35Å; H28-M30 WeakPolarHBondContact NE2-CE 3.28Å; H28-M30 PolarHBondContact O-N 3.21Å; M30-S32 PolarHBondContact O-N 3.02Å; M30-S32 PolarHBondContact O-OG 3.2Å |
| 31 | L | 40.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 121 Ų | 121 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | trans | -57.5 | 84.4 | 161.3 | -81.8 | 147.7 | 0 | 0 | 0 | 103.8 | L29 N33 | L29-L31 PolarHBondContact O-N 3.26Å; L31-N33 PolarHBondContact O-N 3.16Å |
| 32 | S | 38.2 | Very low | 39.5 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 102.6 | -174.3 | -60.8 | 0 | 0 | 0 | 0 | 103.1 | M30 | M30-S32 PolarHBondContact O-N 3.02Å; M30-S32 PolarHBondContact O-OG 3.2Å |
| 33 | N | 40.9 | Very low | 40.1 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 69.8 | 170.8 | -54.5 | -0.5 | 0 | 0 | 0 | 111.6 | L31 D35 | L31-N33 PolarHBondContact O-N 3.16Å; N33-D35 PolarHBondContact O-N 2.76Å |
| 34 | A | 42.2 | Very low | 41 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | | | trans | -57.2 | 107.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 104.4 | V36 | A34-V36 VanDerWaalsContact C-N 3.27Å; A34-V36 PolarHBondContact O-N 2.78Å |
| 35 | D | 43.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | -46.7 | 97.3 | 177.3 | -64.4 | -59 | 0 | 0 | 0 | 107.6 | N33 M37 | N33-D35 PolarHBondContact O-N 2.76Å; D35-M37 PolarHBondContact O-N 3.38Å |
| 36 | V | 44.8 | Very low | 42.6 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | -68.3 | 92 | 168 | -175.6 | 0 | 0 | 0 | 0 | 102.2 | A34 D38 | A34-V36 VanDerWaalsContact C-N 3.27Å; A34-V36 PolarHBondContact O-N 2.78Å; V36-D38 PolarHBondContact O-N 2.93Å |
| 37 | M | 39.4 | Very low | 42.9 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | | | trans | -58.5 | 99.7 | 165.8 | -71.9 | -114.3 | -77.4 | 0 | 0 | 104.4 | D35 L39 | D35-M37 PolarHBondContact O-N 3.38Å; M37-L39 PolarHBondContact O-N 3.24Å |
| 38 | D | 55.5 | Low | 43.4 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | | | trans | -60.7 | 83 | 167.1 | -81.5 | -23.7 | 0 | 0 | 0 | 106.2 | V36 | V36-D38 PolarHBondContact O-N 2.93Š|
| 39 | L | 48.8 | Very low | 43.9 | Very low | 138 Ų | 138 | 123 Ų | 123 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | | | trans | -63.4 | 136.1 | 168.4 | -80.5 | 154.1 | 0 | 0 | 0 | 106.5 | M37 D41 | M37-L39 PolarHBondContact O-N 3.24Å; L39-D41 PolarHBondContact O-N 3.32Å |
| 40 | P | 46.8 | Very low | 44.2 | Very low | 105 Ų | 105 | 121 Ų | 121 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -58.4 | 136.5 | -179 | 24.5 | -33 | 0 | 0 | 0 | 109.5 | V42 | P40-V42 PolarHBondContact O-N 2.84Š|
| 41 | D | 52.3 | Low | 44.5 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | trans | -49 | 106 | 172.9 | -71.1 | -41.6 | 0 | 0 | 0 | 108.9 | L39 V43 | L39-D41 PolarHBondContact O-N 3.32Å; D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 2.83Å |
| 42 | V | 45.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | | | trans | -70.9 | 98.6 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 105.8 | P40 V44 | P40-V42 PolarHBondContact O-N 2.84Å; V42-V44 VanDerWaalsContact C-N 3.32Å; V42-V44 PolarHBondContact O-N 2.96Å |
| 43 | V | 44 | Very low | 44.8 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | | | trans | -67.6 | 96.7 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | D41 P45 | D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 2.83Å; V43-P45 WeakPolarHBondContact O-CD 3.41Å |
| 44 | V | 45.2 | Very low | 44.7 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | | | trans | -68.5 | 124.7 | 168.4 | -176.5 | 0 | 0 | 0 | 0 | 107 | V42 G46 G47 | V42-V44 VanDerWaalsContact C-N 3.32Å; V42-V44 PolarHBondContact O-N 2.96Å; V44-G46 PolarHBondContact O-N 2.8Å; V44-G46 VanDerWaalsContact O-N 3.09Å; V44-G47 PolarHBondContact O-N 2.83Å; V44-G47 VanDerWaalsContact O-N 3.13Å |
| 45 | P | 41.4 | Very low | 44.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 120.3 | 170.5 | -24 | 33.3 | 0 | 0 | 0 | 109.2 | V43 | V43-P45 WeakPolarHBondContact O-CD 3.41Š|
| 46 | G | 47.1 | Very low | 44.7 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 78% | 0.784 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.7 | 7.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V44 R48 | V44-G46 PolarHBondContact O-N 2.8Å; V44-G46 VanDerWaalsContact O-N 3.09Å; G46-R48 PolarHBondContact O-N 2.8Å |
| 47 | G | 39.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 72.7 | 29 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | V44 | V44-G47 PolarHBondContact O-N 2.83Å; V44-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | R | 43.5 | Very low | 44.4 | Very low | 208 Ų | 208 | 119.4 Ų | 119.4 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | | | trans | -109.1 | 99.7 | 165 | -66.1 | -171.1 | -176.9 | -166.6 | 1.7 | 109.3 | G46 V50 | G46-R48 PolarHBondContact O-N 2.8Å; R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 2.77Å |
| 49 | V | 44.1 | Very low | 43.8 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 67% | 0.673 | 71% | 0.708 | S | S | * | * | | | trans | -64 | 101.4 | 163.6 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | A51 | V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.77Å |
| 50 | V | 45.2 | Very low | 43.1 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | | | trans | -86 | 88.2 | 168.2 | -170.8 | 0 | 0 | 0 | 0 | 105.3 | R48 F52 | R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 2.77Å; V50-F52 HydrophobicContact CB-CE2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.33Å; V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.11Å; V50-F52 WeakPolarHBondContact O-CD2 3.4Å; V50-F52 PolarHBondContact O-N 2.95Å |
| 51 | A | 47 | Very low | 42.6 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | | | trans | -63.3 | 106.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107 | V49 N53 | V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.77Å; A51-N53 PolarHBondContact O-N 3.38Å |
| 52 | F | 42.7 | Very low | 41.8 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | | | trans | -71.4 | 80.9 | 166.6 | -68.5 | -82.4 | 0 | 0 | 0 | 106.9 | V50 Y54 | V50-F52 HydrophobicContact CB-CE2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.33Å; V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.11Å; V50-F52 WeakPolarHBondContact O-CD2 3.4Å; V50-F52 PolarHBondContact O-N 2.95Å; F52-Y54 HydrophobicContact CB-CD2 4.15Å; F52-Y54 HydrophobicContact CB-CE2 3.71Å; F52-Y54 WeakPolarHBondContact O-CD2 3.48Å; F52-Y54 PolarHBondContact O-N 2.85Å |
| 53 | N | 42.2 | Very low | 41.2 | Very low | 141 Ų | 141 | 114.8 Ų | 114.8 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | | | trans | -71.1 | 89.4 | 171.1 | -135.3 | -28 | 0 | 0 | 0 | 106 | A51 S55 | A51-N53 PolarHBondContact O-N 3.38Å; N53-S55 PolarHBondContact O-N 2.86Å |
| 54 | Y | 38.9 | Very low | 41 | Very low | 200 Ų | 200 | 115.6 Ų | 115.6 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | | | trans | -70.2 | 62.4 | 161.7 | -62.8 | -82 | 0 | 0 | 0 | 107.7 | F52 G56 | F52-Y54 HydrophobicContact CB-CD2 4.15Å; F52-Y54 HydrophobicContact CB-CE2 3.71Å; F52-Y54 WeakPolarHBondContact O-CD2 3.48Å; F52-Y54 PolarHBondContact O-N 2.85Å; Y54-G56 PolarHBondContact O-N 2.84Å |
| 55 | S | 45.3 | Very low | 40.4 | Very low | 77 Ų | 77 | 122.9 Ų | 122.9 | 54% | 0.538 | 72% | 0.719 | S | S | . | * | | | trans | -56.5 | 116.5 | 150.6 | 58.6 | 0 | 0 | 0 | 0 | 104.2 | N53 N57 | N53-S55 PolarHBondContact O-N 2.86Å; S55-N57 PolarHBondContact O-N 3.44Å |
| 56 | G | 39.8 | Very low | 39.8 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | trans | -62.1 | 37.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y54 T58 | Y54-G56 PolarHBondContact O-N 2.84Å; G56-T58 PolarHBondContact O-N 2.91Å |
| 57 | N | 37.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | | | trans | -75.7 | 81.1 | 162.9 | -70.5 | 5.9 | 0 | 0 | 0 | 106.7 | S55 L59 | S55-N57 PolarHBondContact O-N 3.44Å; N57-L59 VanDerWaalsContact C-N 3.29Å; N57-L59 PolarHBondContact O-N 2.75Å |
| 58 | T | 40.9 | Very low | 38.4 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | -40.8 | 100.2 | 154.3 | -55.9 | 0 | 0 | 0 | 0 | 107.8 | G56 G60 | G56-T58 PolarHBondContact O-N 2.91Å; T58-G60 PolarHBondContact O-N 2.91Å |
| 59 | L | 43.1 | Very low | 37.7 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 71% | 0.713 | S | S | * | * | | | trans | 25.3 | 59.6 | 167.8 | -64.5 | 165.8 | 0 | 0 | 0 | 111.9 | N57 G61 | N57-L59 VanDerWaalsContact C-N 3.29Å; N57-L59 PolarHBondContact O-N 2.75Å; L59-G61 PolarHBondContact O-N 2.95Å |
| 60 | G | 34 | Very low | 36.9 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | | | trans | -63.1 | 108 | 177.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | T58 N62 | T58-G60 PolarHBondContact O-N 2.91Å; G60-N62 VanDerWaalsContact C-N 3.35Å; G60-N62 PolarHBondContact O-N 2.95Å |
| 61 | G | 35.4 | Very low | 35.9 | Very low | 59 Ų | 59 | 130 Ų | 130 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | | | trans | -49.7 | 98.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L59 T63 | L59-G61 PolarHBondContact O-N 2.95Å; G61-T63 PolarHBondContact O-N 3.17Å |
| 62 | N | 35 | Very low | 34.8 | Very low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | | | trans | -72.1 | 55.4 | 145.3 | -75.5 | -8.7 | 0 | 0 | 0 | 106.8 | G60 L64 | G60-N62 VanDerWaalsContact C-N 3.35Å; G60-N62 PolarHBondContact O-N 2.95Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact O-N 3.07Å |
| 63 | T | 34.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | trans | -59.3 | 113.1 | 144.6 | 35.5 | 0 | 0 | 0 | 0 | 103.2 | G61 R65 | G61-T63 PolarHBondContact O-N 3.17Å; T63-R65 PolarHBondContact O-N 2.92Å |
| 64 | L | 38.3 | Very low | 33 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | | | trans | -36.6 | 105.3 | 155.3 | -95.5 | 63.7 | 0 | 0 | 0 | 104.9 | N62 H66 | N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact O-N 3.07Å; L64-H66 PolarHBondContact O-CD2 2.84Å; L64-H66 PolarHBondContact O-N 2.93Å |
| 65 | R | 32.2 | Very low | 32.3 | Very low | 234 Ų | 234 | 129.4 Ų | 129.4 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | | | trans | -68 | 90.4 | 169.9 | -66.3 | -180 | 91.6 | -159.8 | 7.6 | 101.9 | T63 N67 | T63-R65 PolarHBondContact O-N 2.92Å; R65-N67 PolarHBondContact O-N 2.86Å |
| 66 | H | 30 | Very low | 31.3 | Very low | 149 Ų | 149 | 131 Ų | 131 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | trans | -48.3 | 105.4 | 160.6 | -78 | -100.7 | 0 | 0 | 0 | 102.8 | L64 H68 | L64-H66 PolarHBondContact O-CD2 2.84Å; L64-H66 PolarHBondContact O-N 2.93Å; H66-H68 PolarHBondContact O-N 2.93Å |
| 67 | N | 28.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -64.9 | 88.6 | -178.6 | -161.2 | -7.9 | 0 | 0 | 0 | 104.1 | R65 N69 | R65-N67 PolarHBondContact O-N 2.86Å; N67-N69 PolarHBondContact O-N 2.85Å |
| 68 | H | 28.8 | Very low | 30 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | | | trans | -63.3 | 96.6 | 163.3 | -91.4 | 100.6 | 0 | 0 | 0 | 102.9 | H66 N70 | H66-H68 PolarHBondContact O-N 2.93Å; H68-N70 PolarHBondContact O-N 3.18Å |
| 69 | N | 27.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -51.9 | 81.6 | 170 | -76.3 | -43.7 | 0 | 0 | 0 | 108 | N67 | N67-N69 PolarHBondContact O-N 2.85Š|
| 70 | N | 26.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -89.6 | 109 | 161.3 | -161.1 | 20.4 | 0 | 0 | 0 | 104.7 | H68 G72 | H68-N70 PolarHBondContact O-N 3.18Å; N70-G72 VanDerWaalsContact C-N 3.32Å; N70-G72 PolarHBondContact O-N 2.93Å |
| 71 | A | 25.7 | Very low | 27.7 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | -55.9 | 88.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 72 | G | 23 | Very low | 27.2 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -113.4 | 84.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | N70 T74 | N70-G72 VanDerWaalsContact C-N 3.32Å; N70-G72 PolarHBondContact O-N 2.93Å; G72-T74 PolarHBondContact O-N 3.3Å |
| 73 | Y | 23.6 | Very low | 26.9 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -43.4 | 123 | 170.3 | -59.7 | -95.2 | 0 | 0 | 0 | 111.8 | | |
| 74 | T | 23.8 | Very low | 26.6 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 167.6 | 94.5 | 135.7 | 36.2 | 0 | 0 | 0 | 0 | 110.8 | G72 | G72-T74 PolarHBondContact O-N 3.3Š|
| 75 | N | 24.1 | Very low | 26 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | | 169.7 | 85.2 | 127.9 | -97.3 | -54.2 | 0 | 0 | 0 | 110 | N77 | N75-N77 PolarHBondContact O-N 2.8Š|
| 76 | T | 24.4 | Very low | 25.6 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | | 23.1 | 86.6 | 123.5 | -27.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 77 | N | 26.8 | Very low | 25.5 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -157.2 | 68 | 140.3 | -97.4 | -23.2 | 0 | 0 | 0 | 107.8 | N75 L79 | N75-N77 PolarHBondContact O-N 2.8Å; N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 2.99Å |
| 78 | Y | 23 | Very low | 25.3 | Very low | 222 Ų | 222 | 146.4 Ų | 146.4 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | | | trans | -71.3 | 91.7 | 167.2 | -72.3 | -83.6 | 0 | 0 | 0 | 108.1 | S80 | Y78-S80 PolarHBondContact O-N 2.89Š|
| 79 | L | 24.9 | Very low | 25.2 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -73.6 | 102.9 | 152 | -113.2 | 75.1 | 0 | 0 | 0 | 106.8 | N77 N81 | N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 2.99Å; L79-N81 PolarHBondContact O-N 3.28Å; L79-N81 VanDerWaalsContact O-N 3.16Å |
| 80 | S | 22.1 | Very low | 25.1 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -62.3 | 107.1 | 175.9 | -157.8 | 0 | 0 | 0 | 0 | 109.1 | Y78 | Y78-S80 PolarHBondContact O-N 2.89Š|
| 81 | N | 23.7 | Very low | 25.2 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -143.5 | 81.2 | 156.3 | -131.5 | 5 | 0 | 0 | 0 | 109.6 | L79 Q83 | L79-N81 PolarHBondContact O-N 3.28Å; L79-N81 VanDerWaalsContact O-N 3.16Å; N81-Q83 PolarHBondContact O-N 3.34Å |
| 82 | A | 24.3 | Very low | 25.3 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -73 | 94 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 83 | Q | 27.9 | Very low | 25.5 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -169.1 | 117.5 | 153.8 | -108.4 | 168.2 | 3.7 | 0 | 0 | 109.6 | N81 | N81-Q83 PolarHBondContact O-N 3.34Š|
| 84 | N | 28 | Very low | 25.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | 73.5 | 129.5 | 173.2 | -73.7 | -56.4 | 0 | 0 | 0 | 117.9 | Q86 | N84-Q86 PolarHBondContact O-N 3.08Š|
| 85 | N | 27.6 | Very low | 25.5 | Very low | 173 Ų | 173 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -67.5 | 52.9 | -179.3 | -72.3 | -28.8 | 0 | 0 | 0 | 113.7 | | |
| 86 | Q | 23.9 | Very low | 25.7 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -110.8 | 107.2 | 164.1 | -74 | -161.2 | -36.6 | 0 | 0 | 108.2 | N84 M88 | N84-Q86 PolarHBondContact O-N 3.08Å; Q86-M88 PolarHBondContact O-N 2.86Å |
| 87 | V | 26.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -60 | 86.3 | 154.9 | -176.7 | 0 | 0 | 0 | 0 | 105.2 | L89 | V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 2.93Å |
| 88 | M | 24.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -62.7 | 104.2 | 160.5 | -79.6 | -156 | 76.7 | 0 | 0 | 104.3 | Q86 T90 | Q86-M88 PolarHBondContact O-N 2.86Å; M88-T90 PolarHBondContact O-N 3.02Å |
| 89 | L | 26.9 | Very low | 25.9 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -55.4 | 98.1 | 158.1 | -79.4 | 129.8 | 0 | 0 | 0 | 105 | V87 N91 | V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 2.93Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.18Å |
| 90 | T | 26.9 | Very low | 26.1 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -53.1 | 106.1 | 169.4 | -58.6 | 0 | 0 | 0 | 0 | 104.9 | M88 V92 | M88-T90 PolarHBondContact O-N 3.02Å; T90-V92 VanDerWaalsContact C-N 3.29Å; T90-V92 WeakPolarHBondContact O-CG2 3.43Å; T90-V92 PolarHBondContact O-N 3.21Å |
| 91 | N | 27.4 | Very low | 26.4 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -59.7 | 100.5 | 179.5 | -151.7 | -3.1 | 0 | 0 | 0 | 104.8 | L89 N93 | L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.18Å; N91-N93 PolarHBondContact O-N 2.8Å |
| 92 | V | 28.9 | Very low | 26.5 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -71.1 | 90.4 | -179.8 | -168.2 | 0 | 0 | 0 | 0 | 104 | T90 G94 | T90-V92 VanDerWaalsContact C-N 3.29Å; T90-V92 WeakPolarHBondContact O-CG2 3.43Å; T90-V92 PolarHBondContact O-N 3.21Å; V92-G94 PolarHBondContact O-N 2.92Å |
| 93 | N | 26.8 | Very low | 26.6 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -71.7 | 76 | 178.1 | -141.9 | -5.1 | 0 | 0 | 0 | 106 | N91 T95 | N91-N93 PolarHBondContact O-N 2.8Å; N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 PolarHBondContact O-N 3.29Å |
| 94 | G | 24.6 | Very low | 26.6 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | | | trans | -69.2 | 91.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | V92 V96 | V92-G94 PolarHBondContact O-N 2.92Å; G94-V96 VanDerWaalsContact C-N 3.32Å; G94-V96 PolarHBondContact O-N 2.79Å |
| 95 | T | 23.7 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -65.6 | 93.8 | 169.5 | 44.6 | 0 | 0 | 0 | 0 | 108.4 | N93 S97 | N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 PolarHBondContact O-N 3.29Å; T95-S97 PolarHBondContact O-N 2.92Å |
| 96 | V | 27.2 | Very low | 26.3 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | | | trans | -76 | 112.8 | 164 | -173.9 | 0 | 0 | 0 | 0 | 106 | G94 L98 | G94-V96 VanDerWaalsContact C-N 3.32Å; G94-V96 PolarHBondContact O-N 2.79Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 HydrophobicContact CG1-CG 4.46Å; V96-L98 PolarHBondContact O-N 2.84Å |
| 97 | S | 23.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -68.5 | 85.2 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | T95 N99 | T95-S97 PolarHBondContact O-N 2.92Å; S97-N99 PolarHBondContact O-N 3.05Å |
| 98 | L | 28.2 | Very low | 26.3 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -79.3 | 91 | 170 | -73.3 | 149.4 | 0 | 0 | 0 | 108 | V96 N100 | V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 HydrophobicContact CG1-CG 4.46Å; V96-L98 PolarHBondContact O-N 2.84Å; L98-N100 PolarHBondContact O-N 2.85Å |
| 99 | N | 27.5 | Very low | 26.2 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | trans | -65.9 | 126.3 | 158.1 | -76.4 | -46.9 | 0 | 0 | 0 | 106.7 | S97 | S97-N99 PolarHBondContact O-N 3.05Š|
| 100 | N | 28.4 | Very low | 26 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 84.3 | 136.9 | -173.4 | -77.7 | -11 | 0 | 0 | 0 | 117 | L98 | L98-N100 PolarHBondContact O-N 2.85Š|
| 101 | C | 27.9 | Very low | 25.9 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | 60.3 | 92.7 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 116.6 | T103 | C101-T103 PolarHBondContact O-N 2.88Š|
| 102 | G | 26.2 | Very low | 25.8 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | | | trans | -64.6 | 91.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 103 | T | 27.3 | Very low | 25.6 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | | | trans | -142.1 | 103.6 | 157.6 | -34.7 | 0 | 0 | 0 | 0 | 107.3 | C101 V105 | C101-T103 PolarHBondContact O-N 2.88Å; T103-V105 PolarHBondContact O-N 2.79Å |
| 104 | N | 26.7 | Very low | 25.6 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | -63.3 | 99 | 171.4 | -78.7 | -34.6 | 0 | 0 | 0 | 108.4 | T106 | N104-T106 VanDerWaalsContact C-N 3.27Å; N104-T106 PolarHBondContact O-N 2.89Å |
| 105 | V | 24.2 | Very low | 25.7 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | | | trans | -74.9 | 90 | 168.7 | -174.1 | 0 | 0 | 0 | 0 | 106.9 | T103 T107 | T103-V105 PolarHBondContact O-N 2.79Å; V105-T107 PolarHBondContact O-N 2.91Å; V105-T107 VanDerWaalsContact O-N 3.17Å |
| 106 | T | 25.5 | Very low | 25.7 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 97.4 | 171.3 | -53.7 | 0 | 0 | 0 | 0 | 107.1 | N104 V108 | N104-T106 VanDerWaalsContact C-N 3.27Å; N104-T106 PolarHBondContact O-N 2.89Å; T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.9Å |
| 107 | T | 25 | Very low | 25.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 91.1 | 170.9 | -44.8 | 0 | 0 | 0 | 0 | 107.9 | V105 A109 | V105-T107 PolarHBondContact O-N 2.91Å; V105-T107 VanDerWaalsContact O-N 3.17Å; T107-A109 PolarHBondContact O-N 3.06Å |
| 108 | V | 24.6 | Very low | 25.9 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | | | trans | -71.3 | 99.3 | 168.1 | -170.6 | 0 | 0 | 0 | 0 | 106.3 | T106 R110 | T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.9Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.71Å |
| 109 | A | 23.7 | Very low | 25.9 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -58.4 | 101.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107 | T107 T111 | T107-A109 PolarHBondContact O-N 3.06Å; A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.41Å |
| 110 | R | 20.9 | Very low | 25.9 | Very low | 236 Ų | 236 | 128.6 Ų | 128.6 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | -66.1 | 98.1 | 169.6 | -64.2 | -174.4 | -162 | -154.6 | 5.2 | 105.7 | V108 G112 | V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.71Å; R110-G112 VanDerWaalsContact C-N 3.31Å; R110-G112 PolarHBondContact O-N 2.89Å |
| 111 | T | 26.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | -57.2 | 103.1 | 161.9 | 44.6 | 0 | 0 | 0 | 0 | 106.2 | A109 Q113 | A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.41Å; T111-Q113 PolarHBondContact O-N 3.02Å |
| 112 | G | 24.1 | Very low | 26 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | | | trans | -61.1 | 90.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | R110 N114 | R110-G112 VanDerWaalsContact C-N 3.31Å; R110-G112 PolarHBondContact O-N 2.89Å; G112-N114 PolarHBondContact O-N 3.02Å |
| 113 | Q | 25.1 | Very low | 26 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -68.4 | 74.6 | 163.5 | -75.7 | 178 | -29.7 | 0 | 0 | 107.4 | T111 T115 | T111-Q113 PolarHBondContact O-N 3.02Å; Q113-T115 PolarHBondContact O-N 3.05Å |
| 114 | N | 26.2 | Very low | 26.2 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -75.5 | 84.8 | 148.7 | -89.7 | -48.6 | 0 | 0 | 0 | 105.7 | G112 M116 | G112-N114 PolarHBondContact O-N 3.02Å; N114-M116 PolarHBondContact O-N 2.78Å |
| 115 | T | 26.9 | Very low | 26.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | -54.2 | 90 | 162.6 | 34 | 0 | 0 | 0 | 0 | 108.1 | Q113 P117 | Q113-T115 PolarHBondContact O-N 3.05Å; T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.44Å |
| 116 | M | 23.3 | Very low | 26.5 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -59.4 | 116.6 | 153.4 | -80.5 | -104.3 | -75 | 0 | 0 | 105.9 | N114 L118 | N114-M116 PolarHBondContact O-N 2.78Å; M116-L118 PolarHBondContact O-N 3.34Å |
| 117 | P | 27.6 | Very low | 26.5 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -59.7 | 118.5 | 173.1 | 23.1 | -29.2 | 0 | 0 | 0 | 107.1 | T115 V119 | T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.26Å |
| 118 | L | 27.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -55.2 | 101.3 | 164.9 | -101.3 | 79.3 | 0 | 0 | 0 | 106.4 | M116 S120 | M116-L118 PolarHBondContact O-N 3.34Å; L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.97Å |
| 119 | V | 28.7 | Very low | 26.8 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 98.8 | 162.6 | -176.7 | 0 | 0 | 0 | 0 | 104.3 | P117 N121 | P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.26Å; V119-N121 PolarHBondContact O-N 2.85Å |
| 120 | S | 26.7 | Very low | 26.8 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -54.5 | 129.3 | 174.4 | -90.8 | 0 | 0 | 0 | 0 | 108.4 | L118 E122 | L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.97Å; S120-E122 PolarHBondContact O-N 2.94Å |
| 121 | N | 26.3 | Very low | 27.2 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | trans | -57 | 83.8 | 163.3 | -81.8 | -40.2 | 0 | 0 | 0 | 109 | V119 L123 | V119-N121 PolarHBondContact O-N 2.85Å; N121-L123 PolarHBondContact O-N 3.07Å |
| 122 | E | 32.3 | Very low | 27.1 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -75.6 | 83.3 | 157.1 | -70.1 | -157.8 | 149.1 | 0 | 0 | 107.2 | S120 I124 | S120-E122 PolarHBondContact O-N 2.94Å; E122-I124 HydrophobicContact CB-CD1 4.44Å; E122-I124 HydrophobicContact CB-CG1 4.19Å; E122-I124 PolarHBondContact O-N 2.66Å |
| 123 | L | 27.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | | | trans | -59.5 | 75.1 | 160.9 | -174.4 | 74.4 | 0 | 0 | 0 | 108 | N121 Q125 | N121-L123 PolarHBondContact O-N 3.07Å; L123-Q125 HydrophobicContact CG-CG 4.43Å; L123-Q125 PolarHBondContact O-N 2.84Å |
| 124 | I | 31.7 | Very low | 27.4 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 59% | 0.585 | 79% | 0.785 | S | S | * | * | | | trans | -75.6 | 86.5 | 170.6 | -61.3 | 169.6 | 0 | 0 | 0 | 106.1 | E122 Q126 | E122-I124 HydrophobicContact CB-CD1 4.44Å; E122-I124 HydrophobicContact CB-CG1 4.19Å; E122-I124 PolarHBondContact O-N 2.66Å; I124-Q126 HydrophobicContact CG2-CB 4.03Å; I124-Q126 HydrophobicContact CG2-CG 3.73Å; I124-Q126 PolarHBondContact O-N 2.69Å |
| 125 | Q | 26.4 | Very low | 27.8 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | -58.7 | 86.9 | 155 | -78.7 | 167 | 78.3 | 0 | 0 | 107.6 | L123 | L123-Q125 HydrophobicContact CG-CG 4.43Å; L123-Q125 PolarHBondContact O-N 2.84Å |
| 126 | Q | 29.5 | Very low | 27.9 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -113.7 | 106.8 | 162.2 | -85.6 | -167.1 | 87.2 | 0 | 0 | 110.1 | I124 | I124-Q126 HydrophobicContact CG2-CB 4.03Å; I124-Q126 HydrophobicContact CG2-CG 3.73Å; I124-Q126 PolarHBondContact O-N 2.69Å |
| 127 | Q | 26.7 | Very low | 28 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -17.8 | 131.4 | 167.1 | -75.4 | 166.8 | -17.4 | 0 | 0 | 116.6 | Q129 | Q127-Q129 PolarHBondContact O-N 2.8Š|
| 128 | S | 25.5 | Very low | 28.1 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -46.9 | 110.5 | 160.4 | -40.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 129 | Q | 29.7 | Very low | 28 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -114.1 | 92.8 | 153.2 | -77.9 | -166.9 | 27.2 | 0 | 0 | 108.7 | Q127 Q131 | Q127-Q129 PolarHBondContact O-N 2.8Å; Q129-Q131 PolarHBondContact O-N 3.13Å |
| 130 | S | 23.5 | Very low | 28 | Very low | 111 Ų | 111 | 154 Ų | 154 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -62.8 | 109.2 | 158.9 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 131 | Q | 29.5 | Very low | 27.9 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -139.3 | 107.7 | 147.6 | -78.8 | -149.5 | 85.8 | 0 | 0 | 109.5 | Q129 Q133 | Q129-Q131 PolarHBondContact O-N 3.13Å; Q131-Q133 PolarHBondContact O-N 3.47Å |
| 132 | Q | 24.7 | Very low | 28 | Very low | 195 Ų | 195 | 154 Ų | 154 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | | | trans | -55.7 | 113.7 | 163.1 | -70.3 | 164.3 | -1.1 | 0 | 0 | 108.4 | | |
| 133 | Q | 28.8 | Very low | 27.9 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -124.6 | 122 | 150.1 | -80 | -166.2 | 25.5 | 0 | 0 | 109.7 | Q131 E135 | Q131-Q133 PolarHBondContact O-N 3.47Å; Q133-E135 PolarHBondContact O-N 3.23Å |
| 134 | N | 26.7 | Very low | 28 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -87.1 | 91.7 | -170.9 | 179.3 | 34 | 0 | 0 | 0 | 107.1 | | |
| 135 | E | 34.3 | Very low | 27.8 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -101.7 | 95.9 | 169.9 | -76.3 | -178 | 152.5 | 0 | 0 | 109 | Q133 | Q133-E135 PolarHBondContact O-N 3.23Š|
| 136 | A | 28.8 | Very low | 27.8 | Very low | 64 Ų | 64 | 150.6 Ų | 150.6 | 53% | 0.529 | 78% | 0.781 | S | S | . | * | | | trans | -81.7 | 138 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 137 | Y | 25.4 | Very low | 27.6 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | | | trans | 59.7 | 111.8 | 156.9 | -64.9 | -84.5 | 0 | 0 | 0 | 119.6 | | |
| 138 | N | 29.5 | Very low | 27.8 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | | -152.3 | 102.9 | 119.3 | -141.4 | -68.3 | 0 | 0 | 0 | 111.6 | Q140 | N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.16Å |
| 139 | Y | 25.3 | Very low | 28 | Very low | 209 Ų | 209 | 148.7 Ų | 148.7 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | | | trans | -72 | 96.8 | 161.4 | -83.9 | -91.2 | 0 | 0 | 0 | 107.6 | | |
| 140 | Q | 28.5 | Very low | 28 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -105 | 89.4 | 166.2 | -161.9 | 141.4 | 9.4 | 0 | 0 | 109.3 | N138 N142 | N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.16Å; Q140-N142 PolarHBondContact O-N 2.88Å |
| 141 | T | 25.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -57.6 | 113.8 | 164.1 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 142 | N | 27.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | -127.2 | 105.9 | 162.7 | -120.8 | 5.8 | 0 | 0 | 0 | 108.6 | Q140 V144 | Q140-N142 PolarHBondContact O-N 2.88Å; N142-V144 PolarHBondContact O-N 3.11Å |
| 143 | P | 31 | Very low | 28.4 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -79.4 | 104 | 172.1 | 30.1 | -27.9 | 0 | 0 | 0 | 108.3 | | |
| 144 | V | 29.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | -117.3 | 105.2 | 168.3 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | N142 | N142-V144 PolarHBondContact O-N 3.11Š|
| 145 | F | 27.6 | Very low | 28.6 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | | | trans | -43.1 | 135.2 | 160.5 | -78 | -102 | 0 | 0 | 0 | 111 | | |
| 146 | G | 26.3 | Very low | 28.4 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | trans | 157.5 | 72.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S148 | G146-S148 PolarHBondContact O-N 3.11Š|
| 147 | E | 26.2 | Very low | 28.5 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -0 | 109.3 | 148.8 | -62.1 | 172.9 | 168.6 | 0 | 0 | 115.7 | | |
| 148 | S | 29.5 | Very low | 28.7 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -140.6 | 86.5 | 155.8 | -63.8 | 0 | 0 | 0 | 0 | 106.8 | G146 S150 | G146-S148 PolarHBondContact O-N 3.11Å; S148-S150 PolarHBondContact O-N 3.42Å |
| 149 | V | 31.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 134 Ų | 134 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -70.5 | 78.8 | 173.6 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | M151 | V149-M151 HydrophobicContact CG1-CG 4.22Å; V149-M151 PolarHBondContact O-N 3.45Å |
| 150 | S | 29 | Very low | 29.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -79.8 | 98.8 | 163.1 | -63.6 | 0 | 0 | 0 | 0 | 107 | S148 A152 | S148-S150 PolarHBondContact O-N 3.42Å; S150-A152 PolarHBondContact O-N 2.84Å |
| 151 | M | 27.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | | | trans | -59.5 | 90.5 | 167.9 | -67.4 | -173.3 | -72.9 | 0 | 0 | 108.2 | V149 V153 | V149-M151 HydrophobicContact CG1-CG 4.22Å; V149-M151 PolarHBondContact O-N 3.45Å; M151-V153 PolarHBondContact O-N 2.86Å; M151-V153 VanDerWaalsContact O-N 3.16Å |
| 152 | A | 28.5 | Very low | 30.3 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -63.2 | 115.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | S150 M154 | S150-A152 PolarHBondContact O-N 2.84Å; A152-M154 VanDerWaalsContact C-N 3.28Å; A152-M154 PolarHBondContact O-N 3.11Å |
| 153 | V | 29 | Very low | 30.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -54.1 | 92.8 | 169.4 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | M151 T155 | M151-V153 PolarHBondContact O-N 2.86Å; M151-V153 VanDerWaalsContact O-N 3.16Å; V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; V153-T155 PolarHBondContact O-N 2.95Å |
| 154 | M | 32.1 | Very low | 31 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 91.4 | 168.2 | -65 | -169.6 | -142 | 0 | 0 | 106.6 | A152 A156 | A152-M154 VanDerWaalsContact C-N 3.28Å; A152-M154 PolarHBondContact O-N 3.11Å; M154-A156 PolarHBondContact O-N 2.7Å |
| 155 | T | 28.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -64 | 85.3 | 159.2 | 38.8 | 0 | 0 | 0 | 0 | 107.2 | V153 S157 | V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; V153-T155 PolarHBondContact O-N 2.95Å; T155-S157 VanDerWaalsContact C-N 3.32Å; T155-S157 PolarHBondContact O-N 3.32Å |
| 156 | A | 30.6 | Very low | 31.5 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | -65.6 | 98.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | M154 Q158 | M154-A156 PolarHBondContact O-N 2.7Å; A156-Q158 PolarHBondContact O-N 2.74Å |
| 157 | S | 30.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -51.6 | 99.4 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | T155 S159 | T155-S157 VanDerWaalsContact C-N 3.32Å; T155-S157 PolarHBondContact O-N 3.32Å; S157-S159 PolarHBondContact O-N 3.07Å; S157-S159 VanDerWaalsContact O-N 3.09Å |
| 158 | Q | 29.5 | Very low | 32.2 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -71.4 | 100.6 | 168.6 | -68.9 | -178.8 | 26.1 | 0 | 0 | 107.6 | A156 | A156-Q158 PolarHBondContact O-N 2.74Š|
| 159 | S | 32.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -76 | 136.7 | 168.3 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | S157 M161 | S157-S159 PolarHBondContact O-N 3.07Å; S157-S159 VanDerWaalsContact O-N 3.09Å; S159-M161 PolarHBondContact O-N 3.26Å |
| 160 | P | 35 | Very low | 32.6 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -61.3 | 125.3 | -179.4 | -19.4 | 30.2 | 0 | 0 | 0 | 111.3 | L162 | P160-L162 PolarHBondContact O-N 3.35Å; P160-L162 VanDerWaalsContact O-N 3.12Å |
| 161 | M | 33.6 | Very low | 32.9 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -65.1 | 110 | 172.8 | -70.2 | -172.9 | -56.5 | 0 | 0 | 109.5 | S159 M163 | S159-M161 PolarHBondContact O-N 3.26Å; M161-M163 PolarHBondContact O-N 2.97Å |
| 162 | L | 40.9 | Very low | 33.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 113.1 | 166.2 | -68.5 | 167.2 | 0 | 0 | 0 | 107.8 | P160 T164 | P160-L162 PolarHBondContact O-N 3.35Å; P160-L162 VanDerWaalsContact O-N 3.12Å; L162-T164 PolarHBondContact O-N 3.09Å; L162-T164 VanDerWaalsContact O-N 3.13Å |
| 163 | M | 36.5 | Very low | 33.4 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -61.6 | 115.2 | 173.3 | -66.7 | -174.7 | -170.9 | 0 | 0 | 108.6 | M161 Q165 | M161-M163 PolarHBondContact O-N 2.97Å; M163-Q165 PolarHBondContact O-N 3.27Å |
| 164 | T | 37.7 | Very low | 33.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -69.4 | 126.6 | 177.8 | 46.2 | 0 | 0 | 0 | 0 | 109.1 | L162 S166 | L162-T164 PolarHBondContact O-N 3.09Å; L162-T164 VanDerWaalsContact O-N 3.13Å; T164-S166 PolarHBondContact O-N 2.97Å |
| 165 | Q | 33 | Very low | 33.6 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -64.7 | 116.6 | 178.7 | -64.9 | -135.2 | 108.5 | 0 | 0 | 110.3 | M163 M167 | M163-Q165 PolarHBondContact O-N 3.27Å; Q165-M167 PolarHBondContact O-N 2.95Å; Q165-M167 VanDerWaalsContact O-N 3.14Å |
| 166 | S | 33.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -59.1 | 112.6 | 172.4 | -43.4 | 0 | 0 | 0 | 0 | 109.6 | T164 A168 | T164-S166 PolarHBondContact O-N 2.97Å; S166-A168 PolarHBondContact O-N 3.39Å |
| 167 | M | 33.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -72.7 | 113.3 | 173.2 | -60.3 | -179.1 | -164 | 0 | 0 | 108.1 | Q165 | Q165-M167 PolarHBondContact O-N 2.95Å; Q165-M167 VanDerWaalsContact O-N 3.14Å |
| 168 | A | 34.8 | Very low | 33.7 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -62 | 137.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S166 N170 | S166-A168 PolarHBondContact O-N 3.39Å; A168-N170 PolarHBondContact O-N 2.97Å |
| 169 | P | 35.9 | Very low | 33.6 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | -58.6 | 121.8 | -179.3 | -22.7 | 31.7 | 0 | 0 | 0 | 111.7 | Y171 | P169-Y171 WeakPolarHBondContact O-CD2 3.13Å; P169-Y171 PolarHBondContact O-N 3.35Å |
| 170 | N | 32.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -75.8 | 100.9 | 175 | -170.7 | 6.5 | 0 | 0 | 0 | 108.8 | A168 G172 | A168-N170 PolarHBondContact O-N 2.97Å; N170-G172 PolarHBondContact O-N 3.45Å |
| 171 | Y | 36.4 | Very low | 33 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -66.1 | 113.5 | 174.4 | -73.6 | -85.9 | 0 | 0 | 0 | 109.4 | P169 S173 | P169-Y171 WeakPolarHBondContact O-CD2 3.13Å; P169-Y171 PolarHBondContact O-N 3.35Å; Y171-S173 PolarHBondContact O-N 3.3Å |
| 172 | G | 31.8 | Very low | 32.8 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -55.2 | 124.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N170 E174 | N170-G172 PolarHBondContact O-N 3.45Å; G172-E174 PolarHBondContact O-N 3.19Å; G172-E174 VanDerWaalsContact O-N 3.16Å |
| 173 | S | 34.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -79.5 | 86.1 | 170.8 | 31.2 | 0 | 0 | 0 | 0 | 108.6 | Y171 A175 | Y171-S173 PolarHBondContact O-N 3.3Å; S173-A175 VanDerWaalsContact C-N 3.31Å; S173-A175 PolarHBondContact O-N 3.05Å |
| 174 | E | 33.1 | Very low | 32 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -73.1 | 94 | 166.8 | -68.4 | -170.4 | 170.2 | 0 | 0 | 108.9 | G172 N176 | G172-E174 PolarHBondContact O-N 3.19Å; G172-E174 VanDerWaalsContact O-N 3.16Å; E174-N176 VanDerWaalsContact C-N 3.31Å; E174-N176 PolarHBondContact O-N 2.85Å |
| 175 | A | 33.1 | Very low | 31.4 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | trans | -64.6 | 85.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S173 H177 | S173-A175 VanDerWaalsContact C-N 3.31Å; S173-A175 PolarHBondContact O-N 3.05Å; A175-H177 PolarHBondContact O-N 3.23Å |
| 176 | N | 32.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -87.2 | 84.9 | 164.4 | -102.8 | -53.7 | 0 | 0 | 0 | 109.9 | E174 | E174-N176 VanDerWaalsContact C-N 3.31Å; E174-N176 PolarHBondContact O-N 2.85Å |
| 177 | H | 26.3 | Very low | 31 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -82.9 | 97.6 | 161.7 | -73.1 | -79.2 | 0 | 0 | 0 | 109.3 | A175 | A175-H177 PolarHBondContact O-N 3.23Š|
| 178 | V | 31.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -144.7 | 115.9 | 158.8 | -168.7 | 0 | 0 | 0 | 0 | 112 | | |
| 179 | A | 27.3 | Very low | 30.5 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 60.6 | 102.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | S181 | A179-S181 PolarHBondContact O-N 3.4Š|
| 180 | Q | 24.6 | Very low | 30.2 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -15.9 | 111.8 | 132 | -67.9 | 167.4 | -18.3 | 0 | 0 | 114 | | |
| 181 | S | 31.9 | Very low | 30 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -105.6 | 114.3 | 153.1 | 60.8 | 0 | 0 | 0 | 0 | 108.3 | A179 | A179-S181 PolarHBondContact O-N 3.4Š|
| 182 | N | 28.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | trans | -93 | 135.6 | -172.7 | -104.9 | -36.3 | 0 | 0 | 0 | 109.4 | | |
| 183 | F | 29.2 | Very low | 29.6 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | 54.2 | 116.3 | 154.7 | -64.4 | -84.2 | 0 | 0 | 0 | 120.2 | | |
| 184 | S | 31.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -158 | 93.3 | 132 | -86.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 185 | N | 24.5 | Very low | 29.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -90.4 | 104.9 | 161.5 | -98.7 | -25 | 0 | 0 | 0 | 107.1 | | |
| 186 | T | 29.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | | | trans | -147.9 | 133.1 | 166.2 | -29 | 0 | 0 | 0 | 0 | 110.9 | | |
| 187 | N | 28.7 | Very low | 29.3 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | 83.7 | 75.7 | 164 | -65.3 | -37 | 0 | 0 | 0 | 118.6 | | |
| 188 | T | 27.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | -50.5 | 131.4 | 122.9 | 37.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 189 | Q | 31 | Very low | 29.5 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | 149.7 | 103 | 147.9 | -78.7 | -72.8 | 32.6 | 0 | 0 | 108.5 | | |
| 190 | Q | 29.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | 169.9 | 97.3 | 130.1 | -92.2 | 170.6 | 65.5 | 0 | 0 | 110.3 | N192 | Q190-N192 PolarHBondContact O-N 2.9Š|
| 191 | I | 28.7 | Very low | 29.7 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | -68.4 | 113.6 | 158.9 | -65.2 | 161.7 | 0 | 0 | 0 | 106.3 | Q193 | I191-Q193 HydrophobicContact CG2-CG 4.11Š|
| 192 | N | 32.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | trans | -122.1 | 106 | 157.5 | -105.9 | 3.9 | 0 | 0 | 0 | 108.5 | Q190 | Q190-N192 PolarHBondContact O-N 2.9Š|
| 193 | Q | 27 | Very low | 29.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | -71.3 | 167.7 | 164.3 | -61.7 | -175.4 | 70.2 | 0 | 0 | 109.7 | I191 | I191-Q193 HydrophobicContact CG2-CG 4.11Š|
| 194 | L | 31.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | 98.2 | 98.4 | 168.7 | -51.5 | 167.9 | 0 | 0 | 0 | 114.9 | | |
| 195 | N | 29.1 | Very low | 30 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | | 169.5 | 115.3 | 95.1 | -167.7 | 1.3 | 0 | 0 | 0 | 111.4 | | |
| 196 | P | 33.6 | Very low | 30.5 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -94.3 | 100.9 | 165.9 | 32.4 | -23.8 | 0 | 0 | 0 | 110.3 | | |
| 197 | S | 31.6 | Very low | 30.6 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | -111 | 104.9 | 168.6 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 198 | G | 28.3 | Very low | 30.7 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | -65.6 | 139.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 199 | Q | 33.4 | Very low | 31 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -138.4 | 95.7 | 160.1 | -73.9 | -67.1 | 3.5 | 0 | 0 | 107.3 | | |
| 200 | A | 28 | Very low | 31 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | -93.4 | 110.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 201 | Y | 29.7 | Very low | 31.2 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -139.2 | 109.6 | 173.6 | -125.2 | -98.8 | 0 | 0 | 0 | 112.5 | | |
| 202 | N | 30.7 | Very low | 31.3 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | 56.4 | 115.9 | 140.4 | -75.4 | -64.8 | 0 | 0 | 0 | 123 | | |
| 203 | K | 28.5 | Very low | 31.7 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | -69 | 133.6 | 160 | 177.9 | -172 | 178.9 | -165.6 | 0 | 111.4 | | |
| 204 | P | 38.4 | Very low | 32 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -84.5 | 134.3 | 167.5 | -4.2 | 22 | 0 | 0 | 0 | 111.8 | | |
| 205 | T | 27.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -104.1 | 124.8 | 172.4 | -22.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 206 | V | 36.4 | Very low | 32.2 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | | | trans | -129.3 | 103.6 | 173.5 | -106.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 207 | Q | 31.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 32.3 | 109.9 | 137.2 | -56.9 | -179.5 | 15.9 | 0 | 0 | 117.5 | | |
| 208 | Q | 30.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | | 54.1 | 93.3 | 78.1 | -69.9 | -89.1 | 96.8 | 0 | 0 | 113.7 | | |
| 209 | Q | 34.3 | Very low | 32.3 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -136.5 | 116.9 | 151.1 | -79.7 | -126.9 | 57.2 | 0 | 0 | 110.5 | | |
| 210 | H | 30.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 153 Ų | 153 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -65.5 | 133.3 | 174.8 | -86.6 | -115.6 | 0 | 0 | 0 | 112.1 | | |
| 211 | H | 34.7 | Very low | 32.6 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | -154.9 | 106.1 | 142.5 | -75.9 | 100.6 | 0 | 0 | 0 | 110.2 | | |
| 212 | Q | 29.5 | Very low | 32.9 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -117.1 | 172 | 155.2 | -112.1 | -167.5 | 20.6 | 0 | 0 | 105.4 | | |
| 213 | P | 40.5 | Very low | 33.2 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -135.1 | 167.2 | -9.8 | 37.5 | -20.5 | 0 | 0 | 0 | 113 | | |
| 214 | R | 33.2 | Very low | 33.2 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -160.2 | 107.3 | 143.3 | -163.9 | 161.9 | 155.4 | 156.7 | -7.5 | 112.2 | | |
| 215 | A | 28.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 153.9 Ų | 153.9 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 139.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | Q | 36.9 | Very low | 33 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | -135 | 106.5 | 150.9 | -75.1 | -154.8 | -19.1 | 0 | 0 | 109.1 | | |
| 217 | S | 30.5 | Very low | 32.6 | Very low | 101 Ų | 101 | 155 Ų | 155 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -84.3 | 125.5 | 171.3 | -49.5 | 0 | 0 | 0 | 0 | 109 | | |
| 218 | Q | 37.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -127.4 | 87.6 | 163.6 | -70.8 | -88.3 | 40.1 | 0 | 0 | 105.1 | | |
| 219 | Y | 28.1 | Very low | 32.6 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | | 64.1 | 98 | 92 | -104.3 | -101.4 | 0 | 0 | 0 | 116.3 | | |
| 220 | F | 28.9 | Very low | 32.6 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | | 78.4 | 156.8 | 128.1 | -89.6 | -91.5 | 0 | 0 | 0 | 120.4 | | |
| 221 | P | 37.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | | -126.9 | -169.1 | -96 | 50.8 | -35.7 | 0 | 0 | 0 | 111.9 | | |
| 222 | P | 36 | Very low | 32.8 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -86.2 | 142.7 | -164 | 33.2 | -29.8 | 0 | 0 | 0 | 114.3 | | |
| 223 | T | 36.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -85.1 | 113.6 | 172.5 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 224 | Q | 28.6 | Very low | 32.4 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -75.2 | 146.9 | 158.6 | -65.7 | -118.3 | 89.4 | 0 | 0 | 110.2 | | |
| 225 | Q | 31.8 | Very low | 32.4 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | 155.2 | 139.6 | 156.5 | -92.4 | -178.3 | -6.6 | 0 | 0 | 107.7 | | |
| 226 | S | 30.8 | Very low | 32.4 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | cis | -163.7 | 146 | -2.7 | -74.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 227 | Q | 28.7 | Very low | 32.1 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -70.5 | 135.4 | 167.5 | -63.2 | 172.3 | -2.6 | 0 | 0 | 110.2 | | |
| 228 | T | 33 | Very low | 32.1 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -142.5 | 111.3 | 156.7 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 229 | N | 28.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -56.8 | 137.5 | 165 | -73.8 | -66 | 0 | 0 | 0 | 112 | | |
| 230 | L | 33.8 | Very low | 31.8 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -147.1 | 87.8 | 147.4 | -93 | 166.6 | 0 | 0 | 0 | 108.2 | | |
| 231 | I | 33.5 | Very low | 32 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 125.8 | 168 | -69.8 | 166.4 | 0 | 0 | 0 | 107.6 | | |
| 232 | Q | 35.7 | Very low | 31.7 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 140.6 | 179.4 | -166.5 | 170.2 | 56.2 | 0 | 0 | 110.6 | | |
| 233 | P | 30.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 139.8 | -176 | 33.9 | -31.6 | 0 | 0 | 0 | 112.4 | | |
| 234 | Q | 31.5 | Very low | 31.6 | Very low | 199 Ų | 199 | 151 Ų | 151 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | | | trans | -142.5 | 145.7 | 151.1 | -108.5 | -167.2 | -51.2 | 0 | 0 | 111.8 | | |
| 235 | P | 33.5 | Very low | 31.7 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -106.7 | 156 | -158.1 | 26.6 | -8.3 | 0 | 0 | 0 | 114.3 | | |
| 236 | Q | 27.4 | Very low | 31.6 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 37.7 | 131.3 | 134.8 | -52.5 | 179.9 | -26.9 | 0 | 0 | 119.5 | | |
| 237 | I | 31.9 | Very low | 31.6 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | | 167.4 | 137.9 | 102.2 | -80.4 | 167.6 | 0 | 0 | 0 | 110.9 | | |
| 238 | A | 29.3 | Very low | 31.7 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | trans | 66.8 | 105.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 239 | Q | 32.1 | Very low | 31.5 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | | 77.8 | 95 | 83 | -77.2 | 180 | -13.5 | 0 | 0 | 112.7 | | |
| 240 | S | 26.9 | Very low | 31.8 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | | | | 68.8 | 98 | 86.8 | 71 | 0 | 0 | 0 | 0 | 114.1 | | |
| 241 | F | 34 | Very low | 31.5 | Very low | 215 Ų | 215 | 150.8 Ų | 150.8 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | | | trans | -117.1 | 124.4 | 150.6 | -93.7 | -85.5 | 0 | 0 | 0 | 108.9 | | |
| 242 | Q | 30.2 | Very low | 31.4 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -85.7 | 136 | -177.2 | -63.5 | -177.1 | 2.3 | 0 | 0 | 111 | | |
| 243 | Q | 28.1 | Very low | 31.3 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | | 4.9 | 173.8 | 128.4 | -85.7 | -169.5 | 9.4 | 0 | 0 | 120.1 | | |
| 244 | P | 43.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | | | cis | -142.4 | -171.8 | -41.4 | 36.9 | -16.3 | 0 | 0 | 0 | 113.4 | | |
| 245 | S | 31.3 | Very low | 31.2 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | 103.6 | 138.8 | 138.4 | -62.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 246 | N | 30 | Very low | 30.9 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 89.2 | 104.1 | 150.8 | -72 | -35.3 | 0 | 0 | 0 | 119.4 | | |
| 247 | F | 29.6 | Very low | 31.3 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | | | | 74.5 | 106.6 | 78 | -93.9 | -84.5 | 0 | 0 | 0 | 113.7 | | |
| 248 | Q | 31.2 | Very low | 31.1 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | trans | -159.5 | 109.8 | 134.4 | -142.8 | 173.3 | -19.4 | 0 | 0 | 111.3 | | |
| 249 | F | 29.5 | Very low | 31.2 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | | | trans | -78.2 | 135.6 | 164.1 | -93.7 | -98.5 | 0 | 0 | 0 | 109.1 | | |
| 250 | Q | 34.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -127.7 | 103.9 | 157.8 | -171.3 | 159.8 | 92.4 | 0 | 0 | 108.9 | | |
| 251 | N | 28.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | | | trans | -88.3 | 132 | 167.8 | -93.6 | -73.2 | 0 | 0 | 0 | 108.8 | | |
| 252 | Q | 31.7 | Very low | 31 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -146.6 | 115.4 | 148.9 | -89.7 | -156.6 | 19 | 0 | 0 | 110.1 | | |
| 253 | P | 32.5 | Very low | 31.2 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | trans | -115.2 | 163.6 | 168.3 | 37.6 | -26.8 | 0 | 0 | 0 | 113.1 | | |
| 254 | Q | 28 | Very low | 31.1 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | 96.4 | 145.7 | 152.5 | -58.8 | -158.1 | -27 | 0 | 0 | 122 | | |
| 255 | Q | 33 | Very low | 30.8 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | | | trans | 96.3 | 108.4 | 157 | -52 | -67.1 | 64.3 | 0 | 0 | 116.2 | | |
| 256 | Q | 27 | Very low | 30.5 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | cis | 93.5 | 119.3 | 48.9 | -167.7 | -175.5 | 106.5 | 0 | 0 | 112.7 | | |
| 257 | Q | 35.2 | Very low | 30.4 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 145.8 | 109.4 | 158.6 | -87.6 | -175.1 | 101.4 | 0 | 0 | 108.5 | | |
| 258 | Q | 27.4 | Very low | 30.6 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | cis | 63.8 | 102.2 | 48.3 | -159 | 111.2 | 66.6 | 0 | 0 | 114.1 | | |
| 259 | L | 31.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | 150.7 | 121.4 | 157.3 | -107.1 | 66.7 | 0 | 0 | 0 | 104.9 | | |
| 260 | V | 35.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | | -158.4 | 123.8 | 58.8 | 173.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 261 | A | 26.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -103.6 | 125.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 262 | N | 28.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 146 Ų | 146 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -162.3 | 111.6 | 156.5 | -112.8 | -3.7 | 0 | 0 | 0 | 112.5 | | |
| 263 | Q | 32.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | | 73 | 104.9 | 129.7 | -63.2 | -174.9 | 68.3 | 0 | 0 | 120.4 | | |
| 264 | T | 27.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -20.8 | 149.7 | 136 | -3.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 265 | P | 35.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | -144.7 | 148.1 | 82 | 34.3 | -15.9 | 0 | 0 | 0 | 115.8 | | |
| 266 | A | 26.3 | Very low | 30.5 | Very low | 87 Ų | 87 | 149.7 Ų | 149.7 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | -82 | 134.4 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 267 | S | 27.9 | Very low | 30.7 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 177.9 | 151 | 143.1 | -93.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 268 | N | 32.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 101.5 | 86.9 | 162.5 | -59.9 | -23.1 | 0 | 0 | 0 | 117.7 | | |
| 269 | Q | 27.3 | Very low | 30.8 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -29.1 | 130.6 | 140.9 | -57.5 | 174.6 | 28.9 | 0 | 0 | 112.9 | | |
| 270 | F | 31.5 | Very low | 30.8 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -151.2 | 131.9 | 142.4 | -108.3 | -82.6 | 0 | 0 | 0 | 110.6 | | |
| 271 | H | 31.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -18.2 | 145.6 | -179 | -59.8 | 99.9 | 0 | 0 | 0 | 122.8 | | |
| 272 | P | 34.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -80.8 | 131.2 | 167.5 | 32.8 | -30.9 | 0 | 0 | 0 | 111.7 | | |
| 273 | Q | 30.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | -114.6 | 132.9 | 163.4 | -111.1 | -147.8 | 19.6 | 0 | 0 | 110.7 | | |
| 274 | Q | 28.2 | Very low | 31 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -66.3 | 142.8 | 176.3 | -59.2 | -152.2 | 65.2 | 0 | 0 | 111.8 | | |
| 275 | Q | 32.1 | Very low | 31.1 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -153.9 | 118 | 140.7 | -115.4 | 168.7 | 79.7 | 0 | 0 | 110.8 | | |
| 276 | Q | 30.7 | Very low | 31.1 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -65.5 | 135.2 | 171.2 | -68.2 | 171 | 5.2 | 0 | 0 | 109.5 | | |
| 277 | S | 31.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 157.3 Ų | 157.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -140.6 | 87.8 | 159.9 | -60.7 | 0 | 0 | 0 | 0 | 107.4 | Q279 | S277-Q279 PolarHBondContact O-N 3.39Š|
| 278 | V | 33.4 | Very low | 32 | Very low | 134 Ų | 134 | 160 Ų | 160 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | -75.1 | 113 | 167.7 | -136.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 279 | Q | 31.3 | Very low | 32.7 | Very low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -130 | 113.9 | 166.9 | -141.5 | 172 | 77.6 | 0 | 0 | 109.6 | S277 | S277-Q279 PolarHBondContact O-N 3.39Š|
| 280 | Q | 31.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -61.8 | 126 | 177.9 | -63.6 | 167.8 | 11.1 | 0 | 0 | 109.9 | | |
| 281 | S | 33.3 | Very low | 34.3 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -119.1 | 97 | 155 | 59.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 282 | Q | 29.9 | Very low | 35.1 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -53.4 | 163.5 | 163.9 | -65.1 | -91.2 | 90.6 | 0 | 0 | 111.4 | | |
| 283 | Q | 29.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | 101.5 | 105.3 | 159.4 | -51.6 | -124.8 | 77 | 0 | 0 | 115.3 | | |
| 284 | Q | 33.5 | Very low | 36.2 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | | | | 173.3 | 82.2 | 115.7 | -83.6 | -89.5 | 76.1 | 0 | 0 | 107.3 | F286 | Q284-F286 PolarHBondContact O-N 2.79Š|
| 285 | Q | 31.2 | Very low | 36.6 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -78.1 | 100.5 | 170.3 | -177 | 175 | -26.6 | 0 | 0 | 107.4 | S287 | Q285-S287 PolarHBondContact O-N 3.31Š|
| 286 | F | 35.3 | Very low | 36.7 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 111.9 | 172 | -92.1 | -89.9 | 0 | 0 | 0 | 109.6 | Q284 L288 | Q284-F286 PolarHBondContact O-N 2.79Å; F286-L288 PolarHBondContact O-N 2.99Å |
| 287 | S | 36 | Very low | 36.8 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -70.5 | 115.5 | 169.8 | -47 | 0 | 0 | 0 | 0 | 109.5 | Q285 | Q285-S287 PolarHBondContact O-N 3.31Š|
| 288 | L | 36 | Very low | 37 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.5 | 169.9 | -76.5 | 161.3 | 0 | 0 | 0 | 109.9 | F286 | F286-L288 PolarHBondContact O-N 2.99Š|
| 289 | P | 47.6 | Very low | 36.9 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 147.5 | -179.2 | 27.5 | -32.8 | 0 | 0 | 0 | 112.7 | | |
| 290 | P | 48.6 | Very low | 37.1 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 151.2 | -177.8 | 28.4 | -33.5 | 0 | 0 | 0 | 113.7 | | |
| 291 | P | 43.3 | Very low | 37 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151.7 | -178.1 | 27.8 | -33.5 | 0 | 0 | 0 | 113.6 | | |
| 292 | P | 49.6 | Very low | 36.7 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.7 | -174.3 | 29.2 | -34.2 | 0 | 0 | 0 | 113.7 | | |
| 293 | P | 46.8 | Very low | 37 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.4 | -176 | 28.5 | -33 | 0 | 0 | 0 | 113.5 | C295 | P293-C295 PolarHBondContact O-N 2.99Š|
| 294 | T | 41.3 | Very low | 37.2 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -65 | 111.1 | 170.7 | 49.8 | 0 | 0 | 0 | 0 | 111 | Q296 | T294-Q296 PolarHBondContact O-N 2.92Š|
| 295 | C | 35.5 | Very low | 37.3 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | trans | -79.7 | 115.5 | 168.5 | -81.4 | 0 | 0 | 0 | 0 | 110.3 | P293 | P293-C295 PolarHBondContact O-N 2.99Š|
| 296 | Q | 35.3 | Very low | 37.5 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -75.5 | 132.2 | 174.7 | -63.7 | -164.7 | 37.7 | 0 | 0 | 112 | T294 H298 | T294-Q296 PolarHBondContact O-N 2.92Å; Q296-H298 PolarHBondContact O-ND1 2.94Å |
| 297 | L | 32.2 | Very low | 37.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 25 | 108 | 131.2 | -114.8 | 160.1 | 0 | 0 | 0 | 117 | Q299 | L297-Q299 HydrophobicContact CD2-CG 4.02Š|
| 298 | H | 35.7 | Very low | 37.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -128.1 | 99 | 154.2 | -81.8 | 79.9 | 0 | 0 | 0 | 109.2 | Q296 | Q296-H298 PolarHBondContact O-ND1 2.94Š|
| 299 | Q | 31 | Very low | 37.4 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -73.8 | 124.1 | 159 | -81.9 | 175.2 | 64.8 | 0 | 0 | 108.4 | L297 | L297-Q299 HydrophobicContact CD2-CG 4.02Š|
| 300 | M | 35.4 | Very low | 36.5 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -141.8 | 93 | 165.5 | -163.5 | -173.5 | -61.4 | 0 | 0 | 106.7 | | |
| 301 | N | 29.5 | Very low | 35.9 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | | | | 76.2 | 105.1 | 99 | -158.1 | -79.4 | 0 | 0 | 0 | 114.2 | Q303 | N301-Q303 PolarHBondContact OD1-NE2 2.74Å; N301-Q303 VanDerWaalsContact OD1-NE2 3.16Å |
| 302 | L | 28.7 | Very low | 35.3 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -59.3 | 129 | 165.3 | -92.1 | 59.8 | 0 | 0 | 0 | 111.4 | | |
| 303 | Q | 35.5 | Very low | 34.3 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -141.8 | 105.2 | 158.7 | -101.1 | 161.9 | 93.7 | 0 | 0 | 111.4 | N301 | N301-Q303 PolarHBondContact OD1-NE2 2.74Å; N301-Q303 VanDerWaalsContact OD1-NE2 3.16Å |
| 304 | Q | 32.7 | Very low | 33.7 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | | | trans | 17.7 | 119.6 | 141 | -61.2 | 174.9 | 30.1 | 0 | 0 | 118.8 | | |
| 305 | A | 36 | Very low | 33.2 | Very low | 107 Ų | 107 | 153.7 Ų | 153.7 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | trans | -130.6 | 96.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 306 | T | 34.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | | | trans | -52.5 | 137.3 | 166.2 | -45 | 0 | 0 | 0 | 0 | 111.6 | | |
| 307 | N | 35.7 | Very low | 32.7 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -174.4 | 100.3 | 139.3 | -94.3 | -48.9 | 0 | 0 | 0 | 109.9 | | |
| 308 | L | 31.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -112.9 | 117.9 | 174.1 | -160.6 | 77.5 | 0 | 0 | 0 | 107.8 | | |
| 309 | P | 38.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -84.2 | 119.6 | 172.1 | 29.3 | -27.7 | 0 | 0 | 0 | 110.2 | | |
| 310 | S | 28.9 | Very low | 32.9 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -104.1 | 115.5 | 172 | -48.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 311 | Q | 35.5 | Very low | 32.4 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -138.3 | 101.4 | 165 | -76.4 | -149.4 | 64 | 0 | 0 | 111.8 | | |
| 312 | T | 30.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | 55.7 | 110.1 | 132.3 | 42.4 | 0 | 0 | 0 | 0 | 121 | | |
| 313 | Q | 28.9 | Very low | 32.4 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -59.6 | 140 | 159.4 | -57 | -173.2 | 65.6 | 0 | 0 | 113.3 | | |
| 314 | Q | 34.4 | Very low | 32.2 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -132.1 | 93.9 | 155.9 | -75.4 | -120.4 | 59.8 | 0 | 0 | 106.1 | | |
| 315 | Q | 31.5 | Very low | 32 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | | | | 71.6 | 105.6 | 90.8 | -150.1 | -179.1 | 80.5 | 0 | 0 | 114.7 | | |
| 316 | N | 27.8 | Very low | 32 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | -31.3 | 143.1 | 166.9 | -69.7 | -25.5 | 0 | 0 | 0 | 117.9 | | |
| 317 | Q | 31.3 | Very low | 31.6 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | | -163.1 | 127.6 | 119.5 | -89.5 | -139.7 | 39.3 | 0 | 0 | 111.9 | | |
| 318 | P | 34.2 | Very low | 31.4 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 128.7 | 172.6 | 32.3 | -28.3 | 0 | 0 | 0 | 112.1 | | |
| 319 | V | 37.6 | Very low | 31.3 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 131.5 | 174 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 320 | S | 31.8 | Very low | 30.7 | Very low | 97 Ų | 97 | 155.7 Ų | 155.7 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 145.6 | -173.5 | -160.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 321 | F | 25.6 | Very low | 31 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 13.8 | 125 | 152.8 | -79.2 | -97.8 | 0 | 0 | 0 | 120.4 | | |
| 322 | N | 30 | Very low | 30.6 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | trans | -149.1 | 120.9 | 137.6 | -151.6 | -58.1 | 0 | 0 | 0 | 111.4 | | |
| 323 | Q | 27.4 | Very low | 30.6 | Very low | 175 Ų | 175 | 160.2 Ų | 160.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -85.3 | 121.8 | 171 | -71.3 | -135.7 | 99.1 | 0 | 0 | 109.5 | | |
| 324 | Q | 32.4 | Very low | 30.6 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -128.4 | 110.5 | 162 | -89.4 | 177.6 | -52.9 | 0 | 0 | 110.3 | | |
| 325 | S | 27.8 | Very low | 30.3 | Very low | 115 Ų | 115 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -88.2 | 113.1 | 168.2 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 326 | V | 35.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -150 | 109.7 | 164.6 | -173 | 0 | 0 | 0 | 0 | 112 | | |
| 327 | N | 27.2 | Very low | 30.4 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 62.2 | 142.5 | 133.9 | -133.8 | -45.9 | 0 | 0 | 0 | 123 | | |
| 328 | H | 31 | Very low | 30.5 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -82.6 | 142.4 | -173.1 | -58.2 | 69 | 0 | 0 | 0 | 111.3 | | |
| 329 | Q | 28.9 | Very low | 30.3 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -159 | 111.5 | 140.9 | -153.7 | 147.6 | 8.9 | 0 | 0 | 111.9 | | |
| 330 | Y | 26.1 | Very low | 29.9 | Very low | 199 Ų | 199 | 153 Ų | 153 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -69.9 | 143.3 | 160.2 | -80.4 | -95.6 | 0 | 0 | 0 | 109.3 | | |
| 331 | P | 35.2 | Very low | 29.8 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | | -139.1 | 144.9 | 111.4 | 26.6 | -8.7 | 0 | 0 | 0 | 114 | | |
| 332 | F | 27.5 | Very low | 30.2 | Very low | 182 Ų | 182 | 153.2 Ų | 153.2 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | -49.2 | 134.6 | 171.2 | -81.6 | -110 | 0 | 0 | 0 | 113.7 | | |
| 333 | Q | 31.2 | Very low | 30.4 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | -142.9 | 99.5 | 144.5 | -152.1 | 171.3 | 69.5 | 0 | 0 | 109.7 | | |
| 334 | S | 27.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -85.8 | 124.7 | 172.9 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 335 | Q | 29.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | -151.4 | 153.5 | 152 | -88.6 | -154.1 | 11 | 0 | 0 | 111.8 | | |
| 336 | P | 34.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -117.2 | 164 | -141.1 | 39.1 | -26.4 | 0 | 0 | 0 | 115.2 | | |
| 337 | S | 26.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | 57.3 | 84 | 144.6 | -56 | 0 | 0 | 0 | 0 | 119 | V339 | S337-V339 PolarHBondContact O-N 2.9Š|
| 338 | Q | 33.1 | Very low | 30.9 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -80.7 | 91.2 | 153.1 | -71.7 | -89.8 | 9.4 | 0 | 0 | 108.3 | Q340 | Q338-Q340 PolarHBondContact O-N 2.82Š|
| 339 | V | 30.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -77.5 | 97.6 | 169.2 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | S337 Q341 | S337-V339 PolarHBondContact O-N 2.9Å; V339-Q341 PolarHBondContact O-N 2.96Å |
| 340 | Q | 30.1 | Very low | 30.6 | Very low | 189 Ų | 189 | 157.9 Ų | 157.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -70.4 | 111.1 | 174.5 | -168.4 | 114.6 | 50.7 | 0 | 0 | 108.7 | Q338 | Q338-Q340 PolarHBondContact O-N 2.82Š|
| 341 | Q | 29.4 | Very low | 30.7 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62 | 140.4 | 177 | -73.6 | -172 | 18.6 | 0 | 0 | 111.7 | V339 | V339-Q341 PolarHBondContact O-N 2.96Š|
| 342 | P | 33.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.4 | 173.7 | 26.3 | -29.9 | 0 | 0 | 0 | 111.1 | | |
| 343 | I | 32.9 | Very low | 31 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125 | 174.2 | -61.9 | 172.9 | 0 | 0 | 0 | 108.5 | T345 | I343-T345 PolarHBondContact O-N 2.86Š|
| 344 | P | 35.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 129.2 | -178.7 | -19.8 | 31.7 | 0 | 0 | 0 | 112.4 | D346 | P344-D346 PolarHBondContact O-N 2.91Š|
| 345 | T | 34.4 | Very low | 30.8 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -85.2 | 83.6 | 172.5 | -51 | 0 | 0 | 0 | 0 | 108.6 | I343 | I343-T345 PolarHBondContact O-N 2.86Š|
| 346 | D | 32.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 149 Ų | 149 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | | | trans | -99.8 | 105.9 | 175.2 | -97.2 | -48.6 | 0 | 0 | 0 | 112.2 | P344 | P344-D346 PolarHBondContact O-N 2.91Š|
| 347 | Q | 28.2 | Very low | 30.4 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | 43.2 | 80.2 | 133.7 | -56.9 | -170.1 | 23.8 | 0 | 0 | 118.5 | | |
| 348 | R | 30.2 | Very low | 30.5 | Very low | 254 Ų | 254 | 153 Ų | 153 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | | | trans | -98.4 | 92.4 | 147 | -88.1 | -85.4 | -83.8 | -136.7 | -8 | 109.5 | | |
| 349 | R | 28.4 | Very low | 30.3 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -42.7 | 131.5 | 171.9 | -66.4 | 167.9 | 62.3 | -127.5 | -0 | 112.2 | Q351 | R349-Q351 PolarHBondContact O-N 2.91Š|
| 350 | Q | 25.9 | Very low | 30.1 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -14.6 | 107.4 | 150.5 | -68.5 | 158.1 | 54.9 | 0 | 0 | 113.3 | | |
| 351 | Q | 28.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -113 | 89.2 | 155.3 | -153.6 | 166.8 | 47.8 | 0 | 0 | 106 | R349 V353 | R349-Q351 PolarHBondContact O-N 2.91Å; Q351-V353 HydrophobicContact CG-CG2 4.13Å; Q351-V353 PolarHBondContact O-N 2.92Å |
| 352 | V | 31.3 | Very low | 29.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -66.3 | 88.6 | 168.8 | -177.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 353 | V | 36.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | -82.7 | 116.9 | 170.7 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | Q351 G355 | Q351-V353 HydrophobicContact CG-CG2 4.13Å; Q351-V353 PolarHBondContact O-N 2.92Å; V353-G355 VanDerWaalsContact C-N 3.32Å; V353-G355 PolarHBondContact O-N 3.28Å |
| 354 | N | 28.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -42.1 | 89.8 | 169.2 | -81.9 | -29.5 | 0 | 0 | 0 | 111.6 | Q356 | N354-Q356 PolarHBondContact O-N 3.02Š|
| 355 | G | 27 | Very low | 28.7 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | trans | -85.7 | 87.1 | 164 | 0 | 0 | 0 | 0 | 0 | 107.7 | V353 V357 | V353-G355 VanDerWaalsContact C-N 3.32Å; V353-G355 PolarHBondContact O-N 3.28Å; G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.5Å |
| 356 | Q | 27.7 | Very low | 28.2 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | -59.8 | 99.7 | 164.3 | -73.6 | -176.8 | -39.1 | 0 | 0 | 107.6 | N354 Q358 | N354-Q356 PolarHBondContact O-N 3.02Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.44Å |
| 357 | V | 28.5 | Very low | 28 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -71.2 | 97.3 | 169 | -172 | 0 | 0 | 0 | 0 | 105.9 | G355 T359 | G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.5Å; V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.16Å |
| 358 | Q | 27.9 | Very low | 27.9 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -64.5 | 96.2 | 167.8 | -69.4 | -178.1 | 2.5 | 0 | 0 | 107.4 | Q356 S360 | Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.44Å; Q358-S360 PolarHBondContact O-N 3Å; Q358-S360 VanDerWaalsContact O-N 3.11Å |
| 359 | T | 28.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | trans | -74.4 | 97.1 | 163.6 | 38.9 | 0 | 0 | 0 | 0 | 107.4 | V357 I361 | V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.16Å; T359-I361 PolarHBondContact O-N 3.44Å |
| 360 | S | 25.9 | Very low | 27.8 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -62.9 | 98.6 | 171.1 | -46.2 | 0 | 0 | 0 | 0 | 108.6 | Q358 A362 | Q358-S360 PolarHBondContact O-N 3Å; Q358-S360 VanDerWaalsContact O-N 3.11Å; S360-A362 PolarHBondContact O-N 3.09Å; S360-A362 VanDerWaalsContact O-N 3.07Å |
| 361 | I | 26.3 | Very low | 28 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -69.8 | 102 | 167.7 | -59 | 173.8 | 0 | 0 | 0 | 106 | T359 V363 | T359-I361 PolarHBondContact O-N 3.44Å; I361-V363 VanDerWaalsContact C-N 3.27Å; I361-V363 HydrophobicContact CG2-CG2 3.82Å; I361-V363 PolarHBondContact O-N 3.35Å |
| 362 | A | 26.4 | Very low | 28.2 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -70.1 | 89.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108 | S360 V364 | S360-A362 PolarHBondContact O-N 3.09Å; S360-A362 VanDerWaalsContact O-N 3.07Å; A362-V364 PolarHBondContact O-N 3.09Å |
| 363 | V | 28.4 | Very low | 28.1 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | trans | -70.5 | 97.6 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | I361 T365 | I361-V363 VanDerWaalsContact C-N 3.27Å; I361-V363 HydrophobicContact CG2-CG2 3.82Å; I361-V363 PolarHBondContact O-N 3.35Å; V363-T365 VanDerWaalsContact C-N 3.3Å; V363-T365 PolarHBondContact O-N 3.22Å |
| 364 | V | 25.7 | Very low | 27.6 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | -74.6 | 91.4 | 169.2 | 179.4 | 0 | 0 | 0 | 0 | 107 | A362 A366 | A362-V364 PolarHBondContact O-N 3.09Å; V364-A366 PolarHBondContact O-N 3.31Å |
| 365 | T | 26.1 | Very low | 27.6 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 64% | 0.638 | 76% | 0.756 | S | S | * | * | | | trans | -72.3 | 92.6 | 171.4 | -28.4 | 0 | 0 | 0 | 0 | 107.9 | V363 L367 | V363-T365 VanDerWaalsContact C-N 3.3Å; V363-T365 PolarHBondContact O-N 3.22Å; T365-L367 VanDerWaalsContact C-N 3.25Å; T365-L367 PolarHBondContact O-N 3.07Å |
| 366 | A | 25.1 | Very low | 27.6 | Very low | 82 Ų | 82 | 123 Ų | 123 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -70.2 | 85.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V364 T368 | V364-A366 PolarHBondContact O-N 3.31Å; A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 2.76Å |
| 367 | L | 26.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 124 Ų | 124 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -67.1 | 88.3 | 166.5 | -76.4 | 159 | 0 | 0 | 0 | 108.6 | T365 | T365-L367 VanDerWaalsContact C-N 3.25Å; T365-L367 PolarHBondContact O-N 3.07Å |
| 368 | T | 27.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -112.6 | 99.2 | 168.4 | -29.6 | 0 | 0 | 0 | 0 | 108.1 | A366 | A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 2.76Å |
| 369 | A | 26.6 | Very low | 27.4 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | | | trans | -63.9 | 139 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T371 | A369-T371 PolarHBondContact O-N 2.62Š|
| 370 | P | 30.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -76.7 | 105.9 | 177.4 | 28.4 | -31.1 | 0 | 0 | 0 | 110.4 | | |
| 371 | T | 29.9 | Very low | 27.1 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -75 | 126.7 | 167.1 | 4.2 | 0 | 0 | 0 | 0 | 110 | A369 | A369-T371 PolarHBondContact O-N 2.62Š|
| 372 | P | 32.5 | Very low | 27.4 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -71.2 | 129.5 | -175.5 | 25.7 | -31.9 | 0 | 0 | 0 | 112.2 | G374 | P372-G374 PolarHBondContact O-N 3.16Š|
| 373 | L | 28.7 | Very low | 27.5 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | -65.4 | 114 | 174.1 | -79.9 | 99 | 0 | 0 | 0 | 110.5 | | |
| 374 | G | 26.9 | Very low | 27.4 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -70.1 | 129.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P372 S376 | P372-G374 PolarHBondContact O-N 3.16Å; G374-S376 PolarHBondContact O-N 2.78Å; G374-S376 VanDerWaalsContact O-N 3.15Å |
| 375 | T | 28 | Very low | 27.4 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -75.7 | 88.6 | 178.8 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 376 | S | 26.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -95 | 97.1 | 170.8 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | G374 Q378 | G374-S376 PolarHBondContact O-N 2.78Å; G374-S376 VanDerWaalsContact O-N 3.15Å; S376-Q378 PolarHBondContact O-N 3.31Å; S376-Q378 VanDerWaalsContact O-N 3.12Å |
| 377 | Q | 26.5 | Very low | 27.6 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | -67.8 | 99.4 | 169.3 | -64.7 | -167.7 | 29.3 | 0 | 0 | 109.2 | | |
| 378 | Q | 26.5 | Very low | 27.7 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -91.6 | 120.5 | 166.4 | -82.3 | -166.7 | -14.6 | 0 | 0 | 110.2 | S376 C380 | S376-Q378 PolarHBondContact O-N 3.31Å; S376-Q378 VanDerWaalsContact O-N 3.12Å; Q378-C380 PolarHBondContact O-N 2.75Å |
| 379 | N | 25.3 | Very low | 27.8 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | -71.4 | 110.3 | -177.2 | -173.3 | -6.9 | 0 | 0 | 0 | 110.2 | Q381 | N379-Q381 PolarHBondContact O-N 2.97Š|
| 380 | C | 23.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | | | trans | -76.3 | 102.2 | 173 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | Q378 | Q378-C380 PolarHBondContact O-N 2.75Š|
| 381 | Q | 26.2 | Very low | 27.6 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132.3 | 170 | -77 | -91.7 | -12.8 | 0 | 0 | 110.5 | N379 | N379-Q381 PolarHBondContact O-N 2.97Š|
| 382 | P | 32.3 | Very low | 27.4 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127 | 178.6 | 27 | -31 | 0 | 0 | 0 | 111.3 | Q384 | P382-Q384 PolarHBondContact O-N 2.81Š|
| 383 | L | 27.5 | Very low | 27.1 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126.6 | 174 | -113.8 | 79.9 | 0 | 0 | 0 | 110.5 | Q385 | L383-Q385 PolarHBondContact O-N 2.66Š|
| 384 | Q | 26 | Very low | 27 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.2 | 174.4 | -70.7 | -157.2 | 93.2 | 0 | 0 | 111 | P382 Q386 | P382-Q384 PolarHBondContact O-N 2.81Å; Q384-Q386 PolarHBondContact O-N 3.05Å |
| 385 | Q | 26.8 | Very low | 27 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -74 | 115.2 | 168.7 | -72.7 | -179.5 | 68.4 | 0 | 0 | 109 | L383 | L383-Q385 PolarHBondContact O-N 2.66Š|
| 386 | Q | 26.3 | Very low | 27 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -73.5 | 127.7 | 174.9 | -131.1 | 178.8 | 2.3 | 0 | 0 | 109.4 | Q384 N388 | Q384-Q386 PolarHBondContact O-N 3.05Å; Q386-N388 PolarHBondContact O-N 2.82Å |
| 387 | P | 29.1 | Very low | 27.3 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -76.1 | 114.2 | -175.8 | 27.9 | -31.7 | 0 | 0 | 0 | 110.7 | T389 | P387-T389 PolarHBondContact O-N 2.86Š|
| 388 | N | 29 | Very low | 27.4 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -85.3 | 102 | 170.1 | -153.4 | 6.8 | 0 | 0 | 0 | 108.9 | Q386 N390 | Q386-N388 PolarHBondContact O-N 2.82Å; N388-N390 PolarHBondContact O-N 3.37Å; N388-N390 VanDerWaalsContact O-N 3.15Å |
| 389 | T | 28 | Very low | 27.7 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | | | trans | -73.3 | 94.2 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | P387 | P387-T389 PolarHBondContact O-N 2.86Š|
| 390 | N | 27.6 | Very low | 27.7 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -103.1 | 94.6 | 159.2 | -89 | -13.4 | 0 | 0 | 0 | 109.2 | N388 | N388-N390 PolarHBondContact O-N 3.37Å; N388-N390 VanDerWaalsContact O-N 3.15Å |
| 391 | T | 25.4 | Very low | 28.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -69.1 | 147.8 | 170.7 | -3.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 392 | T | 27.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 83.1 | 95.1 | 157.8 | 1.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 393 | N | 24.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | | -166.2 | 123.5 | 111.2 | -118.4 | -14 | 0 | 0 | 0 | 111.9 | G395 | N393-G395 PolarHBondContact O-N 3.12Š|
| 394 | P | 26 | Very low | 27.9 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -86.2 | 90.3 | 171.3 | 32.9 | -26.8 | 0 | 0 | 0 | 109.2 | | |
| 395 | G | 28.9 | Very low | 28 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -106.4 | 84.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N393 N397 | N393-G395 PolarHBondContact O-N 3.12Å; G395-N397 PolarHBondContact O-N 3.21Å |
| 396 | N | 26.7 | Very low | 28 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -62.4 | 114.6 | 170.8 | 178.9 | 13.4 | 0 | 0 | 0 | 109.7 | | |
| 397 | N | 33.2 | Very low | 28 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -156.5 | 102.8 | 147.2 | -90.4 | -30.4 | 0 | 0 | 0 | 109 | G395 N399 | G395-N397 PolarHBondContact O-N 3.21Å; N397-N399 PolarHBondContact O-N 3.31Å |
| 398 | N | 29.9 | Very low | 28 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | -45.3 | 118.1 | 157.1 | -106.1 | -15.8 | 0 | 0 | 0 | 110 | | |
| 399 | N | 31.6 | Very low | 27.9 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -142.1 | 108 | 143.9 | -101.9 | -23.7 | 0 | 0 | 0 | 109.7 | N397 L401 | N397-N399 PolarHBondContact O-N 3.31Å; N399-L401 PolarHBondContact O-N 3.09Å |
| 400 | N | 25.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -73.5 | 99.4 | 177.2 | -175.4 | 5.8 | 0 | 0 | 0 | 108.5 | | |
| 401 | L | 33.4 | Very low | 27.7 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -121.9 | 82.4 | 160 | -81.5 | 169.7 | 0 | 0 | 0 | 108.6 | N399 S403 | N399-L401 PolarHBondContact O-N 3.09Å; L401-S403 PolarHBondContact O-N 2.94Å |
| 402 | N | 26.9 | Very low | 27.8 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -50.5 | 110.7 | 151.7 | 179.9 | 16.5 | 0 | 0 | 0 | 110.3 | | |
| 403 | S | 26.8 | Very low | 27.8 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 176.6 | 131.6 | 142.6 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | L401 | L401-S403 PolarHBondContact O-N 2.94Š|
| 404 | G | 26.4 | Very low | 27.8 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 97.8 | 62.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A406 | G404-A406 PolarHBondContact O-N 3.45Š|
| 405 | N | 27.9 | Very low | 27.7 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -59.7 | 94.7 | 154.1 | -85 | -7.5 | 0 | 0 | 0 | 107.6 | L407 | N405-L407 PolarHBondContact O-N 2.87Å; N405-L407 VanDerWaalsContact O-N 3.08Å |
| 406 | A | 26.9 | Very low | 27.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -55.7 | 113.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | G404 I408 | G404-A406 PolarHBondContact O-N 3.45Å; A406-I408 VanDerWaalsContact C-N 3.28Å; A406-I408 PolarHBondContact O-N 2.95Å |
| 407 | L | 25.9 | Very low | 27.7 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | -60.9 | 97.9 | 170.1 | -174 | 72.2 | 0 | 0 | 0 | 106.2 | N405 I409 | N405-L407 PolarHBondContact O-N 2.87Å; N405-L407 VanDerWaalsContact O-N 3.08Å; L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CG1 4.35Å; L407-I409 PolarHBondContact O-N 2.82Å |
| 408 | I | 28.9 | Very low | 27.2 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 94.8 | 168.9 | -58.3 | -179.9 | 0 | 0 | 0 | 104.6 | A406 A410 | A406-I408 VanDerWaalsContact C-N 3.28Å; A406-I408 PolarHBondContact O-N 2.95Å; I408-A410 PolarHBondContact O-N 3.28Å |
| 409 | I | 26.9 | Very low | 27 | Very low | 129 Ų | 129 | 133 Ų | 133 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | trans | -65.6 | 93.4 | 165.2 | -59.7 | 177.1 | 0 | 0 | 0 | 104.4 | L407 S411 | L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CG1 4.35Å; L407-I409 PolarHBondContact O-N 2.82Å; I409-S411 PolarHBondContact O-N 2.85Å |
| 410 | A | 25.6 | Very low | 26.9 | Very low | 74 Ų | 74 | 131 Ų | 131 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | | | trans | -62.7 | 92.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | I408 N412 | I408-A410 PolarHBondContact O-N 3.28Å; A410-N412 PolarHBondContact O-N 3.36Å |
| 411 | S | 26.4 | Very low | 27.1 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | trans | -56.8 | 106.1 | 166.9 | -64.6 | 0 | 0 | 0 | 0 | 106.6 | I409 N413 | I409-S411 PolarHBondContact O-N 2.85Å; S411-N413 PolarHBondContact O-N 3.39Å |
| 412 | N | 27.4 | Very low | 26.9 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -64.4 | 75.7 | 165.9 | -78.5 | -60.2 | 0 | 0 | 0 | 107.6 | A410 R414 | A410-N412 PolarHBondContact O-N 3.36Å; N412-R414 PolarHBondContact O-N 3.23Å |
| 413 | N | 28.1 | Very low | 27.2 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -69.1 | 87.3 | 164.2 | -77.3 | -9.6 | 0 | 0 | 0 | 105.9 | S411 C415 | S411-N413 PolarHBondContact O-N 3.39Å; N413-C415 VanDerWaalsContact C-N 3.32Å; N413-C415 PolarHBondContact O-N 3.26Å |
| 414 | R | 25.1 | Very low | 27.5 | Very low | 223 Ų | 223 | 126 Ų | 126 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | | | trans | -58 | 104.1 | 161 | -82.5 | -174.4 | -178.2 | -132.5 | 1 | 105.9 | N412 L416 | N412-R414 PolarHBondContact O-N 3.23Å; R414-L416 VanDerWaalsContact C-N 3.25Å; R414-L416 PolarHBondContact O-N 2.96Å |
| 415 | C | 23.7 | Very low | 28.1 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -59.8 | 93.9 | 165.6 | -59.9 | 0 | 0 | 0 | 0 | 107.3 | N413 S417 | N413-C415 VanDerWaalsContact C-N 3.32Å; N413-C415 PolarHBondContact O-N 3.26Å; C415-S417 PolarHBondContact O-N 2.65Å |
| 416 | L | 29.5 | Very low | 28.7 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -72.2 | 85.3 | 163 | -68.8 | 174.3 | 0 | 0 | 0 | 106.1 | R414 M418 | R414-L416 VanDerWaalsContact C-N 3.25Å; R414-L416 PolarHBondContact O-N 2.96Å; L416-M418 HydrophobicContact CB-CG 4.49Å; L416-M418 PolarHBondContact O-N 2.8Å |
| 417 | S | 24.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -66.9 | 75.8 | 165.4 | 167.3 | 0 | 0 | 0 | 0 | 108 | C415 S419 | C415-S417 PolarHBondContact O-N 2.65Å; S417-S419 PolarHBondContact O-N 2.9Å |
| 418 | M | 24.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | | | trans | -86.3 | 96.8 | 164.8 | -64.2 | -130.1 | 72.1 | 0 | 0 | 106.5 | L416 P420 | L416-M418 HydrophobicContact CB-CG 4.49Å; L416-M418 PolarHBondContact O-N 2.8Å; M418-P420 WeakPolarHBondContact O-CD 3.47Å |
| 419 | S | 24.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | | | trans | -54.4 | 122.3 | 166.8 | -48.8 | 0 | 0 | 0 | 0 | 107.4 | S417 T421 | S417-S419 PolarHBondContact O-N 2.9Å; S419-T421 PolarHBondContact O-N 3.11Å |
| 420 | P | 30.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | trans | -64.4 | 107.4 | 178.7 | 25 | -31.2 | 0 | 0 | 0 | 107.6 | M418 S422 | M418-P420 WeakPolarHBondContact O-CD 3.47Å; P420-S422 PolarHBondContact O-N 2.88Å |
| 421 | T | 29.2 | Very low | 34 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -57.4 | 120.2 | 159.9 | 31.9 | 0 | 0 | 0 | 0 | 106.6 | S419 I423 | S419-T421 PolarHBondContact O-N 3.11Å; T421-I423 VanDerWaalsContact C-N 3.35Å; T421-I423 PolarHBondContact O-N 3.25Å |
| 422 | S | 29 | Very low | 35.3 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | | | trans | -48.5 | 91.1 | 179.4 | -41.6 | 0 | 0 | 0 | 0 | 111.1 | P420 G424 | P420-S422 PolarHBondContact O-N 2.88Å; S422-G424 PolarHBondContact O-N 3.36Å |
| 423 | I | 33.9 | Very low | 36.5 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | trans | -74.6 | 114.8 | 166.5 | -57.4 | 176.8 | 0 | 0 | 0 | 104.4 | T421 T425 | T421-I423 VanDerWaalsContact C-N 3.35Å; T421-I423 PolarHBondContact O-N 3.25Å; I423-T425 PolarHBondContact O-N 2.74Å |
| 424 | G | 33.3 | Very low | 37.8 | Very low | 54 Ų | 54 | 123 Ų | 123 | 56% | 0.557 | 70% | 0.704 | S | S | * | * | | | trans | -49.2 | 135.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | S422 D426 | S422-G424 PolarHBondContact O-N 3.36Å; G424-D426 VanDerWaalsContact C-N 3.34Å; G424-D426 PolarHBondContact O-N 2.93Å |
| 425 | T | 37.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 115 Ų | 115 | 77% | 0.767 | 69% | 0.685 | S | S | * | * | | | trans | -58.5 | 101.1 | 166.9 | 48.1 | 0 | 0 | 0 | 0 | 107.4 | I423 S427 | I423-T425 PolarHBondContact O-N 2.74Å; T425-S427 PolarHBondContact O-N 2.79Å |
| 426 | D | 42.1 | Very low | 40.4 | Very low | 151 Ų | 151 | 112.3 Ų | 112.3 | 81% | 0.807 | 67% | 0.672 | S | S | * | * | | | trans | -62.9 | 80.8 | 164.4 | -71.6 | -35.5 | 0 | 0 | 0 | 106.9 | G424 L428 | G424-D426 VanDerWaalsContact C-N 3.34Å; G424-D426 PolarHBondContact O-N 2.93Å; D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.83Å |
| 427 | S | 40.8 | Very low | 41.5 | Very low | 93 Ų | 93 | 111.2 Ų | 111.2 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | | | trans | -66.2 | 100.5 | 167.1 | -61 | 0 | 0 | 0 | 0 | 104.1 | T425 T429 | T425-S427 PolarHBondContact O-N 2.79Å; S427-T429 PolarHBondContact O-N 3.45Å |
| 428 | L | 42.4 | Very low | 42.8 | Very low | 118 Ų | 118 | 109 Ų | 109 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | | | trans | -43.2 | 109.1 | 167.9 | -69.7 | 169.4 | 0 | 0 | 0 | 106.9 | D426 D432 | D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.83Å; L428-D432 HydrophobicContact CB-CB 4.4Å; L428-D432 HydrophobicContact CD2-CB 4.34Å |
| 429 | T | 58.3 | Low | 44 | Very low | 102 Ų | 102 | 107.7 Ų | 107.7 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | | | trans | -55.9 | 148.8 | -179.2 | -10.8 | 0 | 0 | 0 | 0 | 108.1 | S427 A431 D432 | S427-T429 PolarHBondContact O-N 3.45Å; T429-A431 PolarHBondContact O-N 3.13Å; T429-D432 PolarHBondContact O-N 2.74Å |
| 430 | E | 50.6 | Low | 45.1 | Very low | 158 Ų | 158 | 109.6 Ų | 109.6 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -49.8 | -25.2 | 179.8 | -85.1 | 161.1 | 142.5 | 0 | 0 | 113.6 | D432 Q433 Q434 | E430-D432 PolarHBondContact O-N 2.72Å; E430-Q433 PolarHBondContact O-N 3.31Å; E430-Q434 PolarHBondContact O-N 2.81Å; E430-Q434 VanDerWaalsContact O-N 3.11Å |
| 431 | A | 53.6 | Low | 45.9 | Very low | 67 Ų | 67 | 106.6 Ų | 106.6 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.5 | -41.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T429 Q434 A435 | T429-A431 PolarHBondContact O-N 3.13Å; A431-Q434 PolarHBondContact O-N 2.91Å; A431-A435 PolarHBondContact O-N 2.72Å |
| 432 | D | 53.5 | Low | 46.7 | Very low | 84 Ų | 84 | 104 Ų | 104 | 45% | 0.449 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.5 | -35.8 | -178.4 | -74.9 | -27.6 | 0 | 0 | 0 | 111.6 | L428 T429 E430 Q434 A435 A436 | L428-D432 HydrophobicContact CB-CB 4.4Å; L428-D432 HydrophobicContact CD2-CB 4.34Å; T429-D432 PolarHBondContact O-N 2.74Å; E430-D432 PolarHBondContact O-N 2.72Å; D432-Q434 VanDerWaalsContact C-N 3.28Å; D432-Q434 PolarHBondContact O-N 3.23Å; D432-A435 PolarHBondContact O-N 3.12Å; D432-A436 PolarHBondContact O-N 2.92Å |
| 433 | Q | 51.4 | Low | 47.2 | Very low | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -36.1 | 173.4 | -66.6 | -176 | 8.2 | 0 | 0 | 111.2 | E430 M437 | E430-Q433 PolarHBondContact O-N 3.31Å; Q433-M437 PolarHBondContact O-N 3.31Å |
| 434 | Q | 56.3 | Low | 47.6 | Very low | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.3 | -37.3 | 177.7 | -138.1 | 136.8 | 33.2 | 0 | 0 | 112.2 | E430 A431 D432 A436 M437 A438 | E430-Q434 PolarHBondContact O-N 2.81Å; E430-Q434 VanDerWaalsContact O-N 3.11Å; A431-Q434 PolarHBondContact O-N 2.91Å; D432-Q434 VanDerWaalsContact C-N 3.28Å; D432-Q434 PolarHBondContact O-N 3.23Å; Q434-A436 VanDerWaalsContact C-N 3.35Å; Q434-M437 PolarHBondContact O-N 3.35Å; Q434-A438 PolarHBondContact O-N 3.14Å |
| 435 | A | 52.4 | Low | 47.8 | Very low | 54 Ų | 54 | 105.9 Ų | 105.9 | 45% | 0.446 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A431 D432 A438 L439 | A431-A435 PolarHBondContact O-N 2.72Å; D432-A435 PolarHBondContact O-N 3.12Å; A435-A438 PolarHBondContact O-N 2.75Å; A435-L439 PolarHBondContact O-N 3.1Å; A435-L439 VanDerWaalsContact O-N 3.09Å |
| 436 | A | 50.6 | Low | 47.6 | Very low | 65 Ų | 65 | 103.1 Ų | 103.1 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.6 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D432 Q434 L440 | D432-A436 PolarHBondContact O-N 2.92Å; Q434-A436 VanDerWaalsContact C-N 3.35Å; A436-L440 PolarHBondContact O-N 2.68Å |
| 437 | M | 52.3 | Low | 47.3 | Very low | 128 Ų | 128 | 104.2 Ų | 104.2 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.5 | -38.7 | 174.2 | -90 | -166.4 | -73 | 0 | 0 | 113 | Q433 Q434 L439 L440 A441 | Q433-M437 PolarHBondContact O-N 3.31Å; Q434-M437 PolarHBondContact O-N 3.35Å; M437-L439 VanDerWaalsContact C-N 3.3Å; M437-L439 PolarHBondContact O-N 3.02Å; M437-L440 PolarHBondContact O-N 2.87Å; M437-A441 PolarHBondContact O-N 2.74Å; M437-A441 VanDerWaalsContact O-N 3.09Å |
| 438 | A | 51.7 | Low | 47.1 | Very low | 60 Ų | 60 | 107.3 Ų | 107.3 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.1 | -36.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q434 A435 L440 A441 A442 | Q434-A438 PolarHBondContact O-N 3.14Å; A435-A438 PolarHBondContact O-N 2.75Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-A441 PolarHBondContact O-N 3.19Å; A438-A442 WeakPolarHBondContact O-CB 3.4Å; A438-A442 PolarHBondContact O-N 3.2Å |
| 439 | L | 49.8 | Very low | 46.7 | Very low | 133 Ų | 133 | 107.9 Ų | 107.9 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.8 | -33.9 | 175.4 | -115.7 | 151.8 | 0 | 0 | 0 | 112.5 | A435 M437 A443 | A435-L439 PolarHBondContact O-N 3.1Å; A435-L439 VanDerWaalsContact O-N 3.09Å; M437-L439 VanDerWaalsContact C-N 3.3Å; M437-L439 PolarHBondContact O-N 3.02Å; L439-A443 PolarHBondContact O-N 3.14Å |
| 440 | L | 47.6 | Very low | 45.6 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.1 | -36.7 | 175.3 | -167 | 64.8 | 0 | 0 | 0 | 112 | A436 M437 A438 A443 | A436-L440 PolarHBondContact O-N 2.68Å; M437-L440 PolarHBondContact O-N 2.87Å; A438-L440 VanDerWaalsContact C-N 3.33Å; L440-A443 PolarHBondContact O-N 3.32Å |
| 441 | A | 48.4 | Very low | 44.7 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 48% | 0.479 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.3 | -35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M437 A438 A443 T444 | M437-A441 PolarHBondContact O-N 2.74Å; M437-A441 VanDerWaalsContact O-N 3.09Å; A438-A441 PolarHBondContact O-N 3.19Å; A441-A443 VanDerWaalsContact C-N 3.26Å; A441-A443 PolarHBondContact O-N 3.3Å; A441-T444 PolarHBondContact O-N 2.92Å; A441-T444 PolarHBondContact O-OG1 3.14Å |
| 442 | A | 45.6 | Very low | 43.7 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 58% | 0.579 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.8 | -24.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A438 T444 | A438-A442 WeakPolarHBondContact O-CB 3.4Å; A438-A442 PolarHBondContact O-N 3.2Å; A442-T444 PolarHBondContact O-N 3.15Å |
| 443 | A | 38.8 | Very low | 42.6 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 61% | 0.612 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -10.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L439 L440 A441 | L439-A443 PolarHBondContact O-N 3.14Å; L440-A443 PolarHBondContact O-N 3.32Å; A441-A443 VanDerWaalsContact C-N 3.26Å; A441-A443 PolarHBondContact O-N 3.3Å |
| 444 | T | 42.8 | Very low | 41.6 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -5 | -179.6 | 40.7 | 0 | 0 | 0 | 0 | 115.6 | A441 A442 | A441-T444 PolarHBondContact O-N 2.92Å; A441-T444 PolarHBondContact O-OG1 3.14Å; A442-T444 PolarHBondContact O-N 3.15Å |
| 445 | E | 37.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 124.7 Ų | 124.7 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -107.2 | 13.2 | -175.7 | -66.4 | -169.1 | 167.5 | 0 | 0 | 114.9 | | |
| 446 | G | 33.2 | Very low | 39.5 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -99.4 | 2.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 447 | M | 35.3 | Very low | 38.6 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -118.3 | 6.3 | -167.1 | -86 | -172.8 | -79.8 | 0 | 0 | 117.6 | | |
| 448 | D | 37.9 | Very low | 37.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | | | trans | -122 | 67.9 | 179.6 | -71.6 | -46.6 | 0 | 0 | 0 | 112.7 | | |
| 449 | T | 34.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -158.9 | 45.2 | 163.3 | -0.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 450 | F | 34.2 | Very low | 35.4 | Very low | 213 Ų | 213 | 134.6 Ų | 134.6 | 93% | 0.934 | 76% | 0.759 | S | S | * | * | | | trans | -114.4 | 57.3 | 157.7 | -81.2 | -85 | 0 | 0 | 0 | 110.2 | E452 | F450-E452 PolarHBondContact O-N 3.02Å; F450-E452 VanDerWaalsContact O-N 3.07Å |
| 451 | R | 31.7 | Very low | 34.5 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | -80 | 83.1 | 160.7 | -169.4 | 171.8 | 156.3 | 143.5 | -3.5 | 107.1 | N453 | R451-N453 PolarHBondContact O-N 2.81Š|
| 452 | E | 31.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | trans | -56.2 | 107.2 | 174 | -153.6 | -178.9 | -156.4 | 0 | 0 | 108.3 | F450 Q454 | F450-E452 PolarHBondContact O-N 3.02Å; F450-E452 VanDerWaalsContact O-N 3.07Å; E452-Q454 PolarHBondContact O-N 3.13Å |
| 453 | N | 30 | Very low | 32.7 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -62.1 | 84.9 | 165.6 | -89.3 | -48.2 | 0 | 0 | 0 | 107.6 | R451 T455 | R451-N453 PolarHBondContact O-N 2.81Å; N453-T455 PolarHBondContact O-N 2.82Å |
| 454 | Q | 32.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -71.1 | 84.7 | 162.4 | -73.4 | -172.1 | 34.3 | 0 | 0 | 107.8 | E452 T456 | E452-Q454 PolarHBondContact O-N 3.13Å; Q454-T456 PolarHBondContact O-N 3.23Å |
| 455 | T | 30.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -58.8 | 96.1 | 160.5 | 38 | 0 | 0 | 0 | 0 | 108.6 | N453 | N453-T455 PolarHBondContact O-N 2.82Š|
| 456 | T | 32.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -59.5 | 126.1 | 158.8 | 14.8 | 0 | 0 | 0 | 0 | 108.6 | Q454 S458 | Q454-T456 PolarHBondContact O-N 3.23Å; T456-S458 PolarHBondContact O-N 3.03Å |
| 457 | P | 31.4 | Very low | 31 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 113.8 | -177.7 | 25.9 | -31.3 | 0 | 0 | 0 | 109.9 | S459 | P457-S459 PolarHBondContact O-N 2.97Š|
| 458 | S | 29.2 | Very low | 30.5 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -58.5 | 99.4 | 172.4 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | T456 L460 | T456-S458 PolarHBondContact O-N 3.03Å; S458-L460 PolarHBondContact O-N 3.14Å; S458-L460 VanDerWaalsContact O-N 3.12Å |
| 459 | S | 29.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -66 | 107.6 | 164 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | P457 Q461 | P457-S459 PolarHBondContact O-N 2.97Å; S459-Q461 PolarHBondContact O-N 2.78Å |
| 460 | L | 29.6 | Very low | 29.6 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | 14.5 | 86.2 | 138 | -66 | 162.4 | 0 | 0 | 0 | 114.7 | S458 | S458-L460 PolarHBondContact O-N 3.14Å; S458-L460 VanDerWaalsContact O-N 3.12Å |
| 461 | Q | 27.8 | Very low | 29.3 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -139.2 | 112.2 | 154.3 | -152.1 | 145.4 | 5.5 | 0 | 0 | 109.8 | S459 | S459-Q461 PolarHBondContact O-N 2.78Š|
| 462 | S | 28 | Very low | 29.1 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -51.6 | 150 | -176.3 | -38.5 | 0 | 0 | 0 | 0 | 112.5 | I464 | S462-I464 PolarHBondContact O-N 3.42Š|
| 463 | P | 28.6 | Very low | 29 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -71.1 | 122 | -170.2 | 27.9 | -32.4 | 0 | 0 | 0 | 111.1 | P465 | P463-P465 WeakPolarHBondContact O-CD 3.44Š|
| 464 | I | 29.3 | Very low | 29 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -99.7 | 104.1 | 160 | -49.7 | -179.9 | 0 | 0 | 0 | 106.5 | S462 I466 | S462-I464 PolarHBondContact O-N 3.42Å; I464-I466 HydrophobicContact CG2-CD1 4.06Å; I464-I466 HydrophobicContact CG2-CG1 3.7Å; I464-I466 PolarHBondContact O-N 3.37Å; I464-I466 VanDerWaalsContact O-N 3.13Å |
| 465 | P | 25.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -76.7 | 96.8 | 171.6 | 29.6 | -28.9 | 0 | 0 | 0 | 108 | P463 | P463-P465 WeakPolarHBondContact O-CD 3.44Š|
| 466 | I | 32.2 | Very low | 28.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -100.8 | 116.9 | 164.5 | -56.1 | -173.9 | 0 | 0 | 0 | 108.7 | I464 | I464-I466 HydrophobicContact CG2-CD1 4.06Å; I464-I466 HydrophobicContact CG2-CG1 3.7Å; I464-I466 PolarHBondContact O-N 3.37Å; I464-I466 VanDerWaalsContact O-N 3.13Å |
| 467 | V | 28.5 | Very low | 28.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | -69.1 | 125 | -176.7 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 468 | N | 24.6 | Very low | 28.3 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | | | trans | 61.3 | 121.7 | 134.7 | -144.8 | 19.9 | 0 | 0 | 0 | 121 | | |
| 469 | N | 25.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | | | trans | 48.9 | 108.7 | 143.7 | -71.2 | -18 | 0 | 0 | 0 | 119.2 | | |
| 470 | N | 28.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | | -158.6 | 99.6 | 127.4 | -85.4 | -42.2 | 0 | 0 | 0 | 109.6 | S472 | N470-S472 PolarHBondContact O-N 3.31Š|
| 471 | I | 29.4 | Very low | 28.2 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -61.7 | 100.4 | 163.5 | -62.2 | 167.7 | 0 | 0 | 0 | 106.4 | | |
| 472 | S | 26.7 | Very low | 28.3 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | | | trans | -153.8 | 132.7 | 166.7 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | N470 | N470-S472 PolarHBondContact O-N 3.31Š|
| 473 | R | 29.2 | Very low | 28.2 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | 86 | 63.6 | 163.3 | -53.2 | -178.1 | 169.7 | -163.3 | -5.2 | 117.1 | D475 | R473-D475 VanDerWaalsContact C-N 3.32Š|
| 474 | L | 30.5 | Very low | 28.3 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | | | trans | -96 | 62.8 | 143.8 | -86.2 | 153.6 | 0 | 0 | 0 | 108.4 | | |
| 475 | D | 29.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -131.1 | 78 | 172.6 | -77 | -45 | 0 | 0 | 0 | 108.2 | R473 | R473-D475 VanDerWaalsContact C-N 3.32Š|
| 476 | S | 27.7 | Very low | 28.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -155 | 49.6 | 167.3 | -167.7 | 0 | 0 | 0 | 0 | 112 | | |
| 477 | C | 27.5 | Very low | 28 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | | | trans | -129.5 | 53.2 | 164.6 | -67 | 0 | 0 | 0 | 0 | 109.3 | | |
| 478 | L | 28.3 | Very low | 28.1 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -122.4 | 70.4 | 172 | -123.3 | 87.4 | 0 | 0 | 0 | 109 | T480 | L478-T480 VanDerWaalsContact C-N 3.28Å; L478-T480 PolarHBondContact O-N 3.07Å |
| 479 | N | 27.6 | Very low | 28.3 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -90.8 | 76.4 | 161.2 | -108.3 | -7 | 0 | 0 | 0 | 108.2 | T481 | N479-T481 VanDerWaalsContact C-N 3.28Å; N479-T481 PolarHBondContact O-N 3.28Å |
| 480 | T | 27.4 | Very low | 28.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | | | trans | -72.5 | 81.6 | 170.7 | -46.9 | 0 | 0 | 0 | 0 | 108.5 | L478 T482 | L478-T480 VanDerWaalsContact C-N 3.28Å; L478-T480 PolarHBondContact O-N 3.07Å; T480-T482 PolarHBondContact O-N 3.19Å; T480-T482 VanDerWaalsContact O-N 3.15Å |
| 481 | T | 30.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | -84.4 | 89.6 | 170.4 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | N479 | N479-T481 VanDerWaalsContact C-N 3.28Å; N479-T481 PolarHBondContact O-N 3.28Å |
| 482 | T | 30.5 | Very low | 28.6 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | | | trans | 32.7 | 94.4 | 141.5 | 45.4 | 0 | 0 | 0 | 0 | 118.2 | T480 T484 | T480-T482 PolarHBondContact O-N 3.19Å; T480-T482 VanDerWaalsContact O-N 3.15Å; T482-T484 PolarHBondContact O-N 3.21Å; T482-T484 VanDerWaalsContact O-N 3.16Å |
| 483 | N | 25 | Very low | 28.8 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | | -7.7 | 101.9 | 129.8 | -113.4 | -6 | 0 | 0 | 0 | 113.8 | | |
| 484 | T | 31.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | -116 | 97.9 | 156.9 | -54.1 | 0 | 0 | 0 | 0 | 107.8 | T482 N486 | T482-T484 PolarHBondContact O-N 3.21Å; T482-T484 VanDerWaalsContact O-N 3.16Å; T484-N486 PolarHBondContact O-N 3.08Å; T484-N486 VanDerWaalsContact O-N 3.09Å |
| 485 | T | 26 | Very low | 29.1 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -66.4 | 92.7 | 174.5 | -39.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 486 | N | 29 | Very low | 29.4 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -100.3 | 90.2 | 160.7 | -87.1 | -14 | 0 | 0 | 0 | 108.8 | T484 T488 | T484-N486 PolarHBondContact O-N 3.08Å; T484-N486 VanDerWaalsContact O-N 3.09Å; N486-T488 PolarHBondContact O-N 2.91Å; N486-T488 VanDerWaalsContact O-N 3.08Å |
| 487 | T | 25.9 | Very low | 29.5 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | -57.4 | 102.4 | 161.8 | -45.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 488 | T | 30.7 | Very low | 30 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | trans | -138.8 | 104.7 | 156.5 | -60.1 | 0 | 0 | 0 | 0 | 107.6 | N486 N490 | N486-T488 PolarHBondContact O-N 2.91Å; N486-T488 VanDerWaalsContact O-N 3.08Å; T488-N490 PolarHBondContact O-N 3.11Å |
| 489 | N | 27.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -43.6 | 108.6 | 161.4 | -82.4 | -25.5 | 0 | 0 | 0 | 109.3 | | |
| 490 | N | 31.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -145 | 104.9 | 142.3 | -107.5 | -23.4 | 0 | 0 | 0 | 109.1 | T488 N492 | T488-N490 PolarHBondContact O-N 3.11Å; N490-N492 PolarHBondContact O-N 3.29Å |
| 491 | N | 28.7 | Very low | 32.2 | Very low | 159 Ų | 159 | 134 Ų | 134 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | -68.4 | 79.4 | 174.7 | -156.7 | 12.8 | 0 | 0 | 0 | 107.4 | | |
| 492 | N | 30.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -125.9 | 99 | 165.1 | -95 | -15 | 0 | 0 | 0 | 108.8 | N490 N494 | N490-N492 PolarHBondContact O-N 3.29Å; N492-N494 VanDerWaalsContact C-N 3.31Å; N492-N494 PolarHBondContact O-N 3.46Å |
| 493 | N | 30.9 | Very low | 34.2 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -62.2 | 82.8 | 174.3 | -156.3 | 16.2 | 0 | 0 | 0 | 109.2 | | |
| 494 | N | 34.8 | Very low | 35.3 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -128.6 | 105.6 | 168.2 | -79.3 | -30.7 | 0 | 0 | 0 | 108.2 | N492 A496 | N492-N494 VanDerWaalsContact C-N 3.31Å; N492-N494 PolarHBondContact O-N 3.46Å; N494-A496 PolarHBondContact O-N 3.25Å |
| 495 | N | 31 | Very low | 36.2 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 19.8 | 95.5 | 156.6 | -87.7 | -2 | 0 | 0 | 0 | 115.3 | Q497 | N495-Q497 VanDerWaalsContact C-N 3.25Å; N495-Q497 PolarHBondContact O-N 2.97Å |
| 496 | A | 34.8 | Very low | 37.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -61.2 | 95.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | N494 V498 | N494-A496 PolarHBondContact O-N 3.25Å; A496-V498 PolarHBondContact O-N 3.28Å |
| 497 | Q | 30.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -58.6 | 109.8 | 165.8 | -82.2 | -171.5 | -87.3 | 0 | 0 | 107.2 | N495 | N495-Q497 VanDerWaalsContact C-N 3.25Å; N495-Q497 PolarHBondContact O-N 2.97Å |
| 498 | V | 37.3 | Very low | 39 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | -57 | 129.5 | 160.6 | -178 | 0 | 0 | 0 | 0 | 106 | A496 V500 | A496-V498 PolarHBondContact O-N 3.28Å; V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 3.16Å |
| 499 | P | 41.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | trans | -62 | 102.1 | 173.8 | -10.2 | 24.2 | 0 | 0 | 0 | 106.4 | D501 | P499-D501 PolarHBondContact O-N 3.19Š|
| 500 | V | 42.2 | Very low | 40.5 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | -68 | 115.9 | 163.8 | -86.1 | 0 | 0 | 0 | 0 | 104.5 | V498 E502 | V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 3.16Å; V500-E502 VanDerWaalsContact C-N 3.32Å; V500-E502 PolarHBondContact O-N 3.07Å |
| 501 | D | 45.8 | Very low | 41.5 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -48.8 | 104.8 | 167 | -82.6 | -53.7 | 0 | 0 | 0 | 106.6 | P499 D503 | P499-D501 PolarHBondContact O-N 3.19Å; D501-D503 PolarHBondContact O-N 3.05Å |
| 502 | E | 52 | Low | 42.4 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -57.5 | 106 | 175.4 | -132.4 | 96.6 | -168 | 0 | 0 | 105.4 | V500 N504 | V500-E502 VanDerWaalsContact C-N 3.32Å; V500-E502 PolarHBondContact O-N 3.07Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 2.83Å |
| 503 | D | 51.7 | Low | 43.1 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -51 | 93.8 | 175.6 | -110.2 | -33.3 | 0 | 0 | 0 | 107.6 | D501 P505 | D501-D503 PolarHBondContact O-N 3.05Å; D503-P505 WeakPolarHBondContact O-CD 3.17Å; D503-P505 VanDerWaalsContact O-N 3.09Å |
| 504 | N | 48.4 | Very low | 43.4 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -61 | 114.5 | 170.3 | -81.4 | -43.2 | 0 | 0 | 0 | 105.4 | E502 | E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 2.83Å |
| 505 | P | 49 | Very low | 43.6 | Very low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | | | trans | -57.4 | 143.9 | 176.4 | 24.2 | -32 | 0 | 0 | 0 | 108.3 | D503 | D503-P505 WeakPolarHBondContact O-CD 3.17Å; D503-P505 VanDerWaalsContact O-N 3.09Å |
| 506 | P | 47.3 | Very low | 44.1 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 56% | 0.558 | 77% | 0.768 | S | S | * | * | | | trans | -53.1 | 144.3 | -174.2 | 17.7 | -29.8 | 0 | 0 | 0 | 110.8 | G508 Y509 | P506-G508 PolarHBondContact O-N 2.96Å; P506-Y509 HydrophobicContact CG-CD2 4.41Å |
| 507 | P | 51.2 | Low | 44.1 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | 109.4 | 178 | -24.3 | 32.3 | 0 | 0 | 0 | 110.2 | | |
| 508 | G | 42.5 | Very low | 44.4 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150 | -12 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P506 | P506-G508 PolarHBondContact O-N 2.96Š|
| 509 | Y | 38.4 | Very low | 44.3 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | -103.5 | 18.6 | -177.4 | -83.1 | -80.2 | 0 | 0 | 0 | 115.8 | P506 E511 | P506-Y509 HydrophobicContact CG-CD2 4.41Å; Y509-E511 PolarHBondContact O-N 3.01Å |
| 510 | D | 51.2 | Low | 44.1 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -85.1 | -3.9 | -168.1 | -155.4 | 19.7 | 0 | 0 | 0 | 116.5 | | |
| 511 | E | 50.8 | Low | 43.6 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -132.9 | 12.8 | -169.8 | -63.7 | -158.5 | -167.9 | 0 | 0 | 118.1 | Y509 | Y509-E511 PolarHBondContact O-N 3.01Š|
| 512 | A | 47.2 | Very low | 43.2 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -85.5 | -9.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | G514 | A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.03Å |
| 513 | I | 46.1 | Very low | 42.3 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -95.8 | 59.2 | 176.3 | -47 | -161.6 | 0 | 0 | 0 | 109.6 | | |
| 514 | G | 36.7 | Very low | 41.7 | Very low | 58 Ų | 58 | 138.7 Ų | 138.7 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | | | trans | -134.9 | 10.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | A512 | A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.03Å |
| 515 | L | 40.7 | Very low | 40.9 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -142.7 | 46.7 | 179.8 | -68.2 | 174.5 | 0 | 0 | 0 | 112.6 | | |
| 516 | I | 40.4 | Very low | 40 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | trans | -98.6 | 93.4 | 153.9 | -51.3 | 179.6 | 0 | 0 | 0 | 106.3 | N518 | I516-N518 PolarHBondContact O-N 2.89Š|
| 517 | Q | 35.5 | Very low | 39.3 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -63.9 | 78.3 | 170.6 | -167.4 | 175.8 | 56.7 | 0 | 0 | 108.2 | N519 | Q517-N519 VanDerWaalsContact C-N 3.31Å; Q517-N519 PolarHBondContact O-N 3.24Å |
| 518 | N | 36.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | | | trans | -71.1 | 90.7 | 173.9 | -88.9 | -36.7 | 0 | 0 | 0 | 108.5 | I516 F520 | I516-N518 PolarHBondContact O-N 2.89Å; N518-F520 PolarHBondContact O-N 3.22Å |
| 519 | N | 35.2 | Very low | 38.1 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -67.7 | 37.3 | 166.5 | -85.7 | -30.1 | 0 | 0 | 0 | 112.8 | Q517 M521 | Q517-N519 VanDerWaalsContact C-N 3.31Å; Q517-N519 PolarHBondContact O-N 3.24Å; N519-M521 PolarHBondContact O-N 3.27Å |
| 520 | F | 36.8 | Very low | 38 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 77% | 0.772 | 79% | 0.793 | S | S | * | * | | | trans | -100 | 69.8 | 168.8 | -75.9 | -78.6 | 0 | 0 | 0 | 109.7 | N518 N522 | N518-F520 PolarHBondContact O-N 3.22Å; F520-N522 PolarHBondContact O-N 2.94Å |
| 521 | M | 33.3 | Very low | 37.2 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | -69.6 | 78.2 | 161.5 | -154.3 | 171.2 | -172.6 | 0 | 0 | 107.6 | N519 | N519-M521 PolarHBondContact O-N 3.27Š|
| 522 | N | 36.1 | Very low | 36.5 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | -149.8 | 90.6 | 166.7 | -93.5 | -45.4 | 0 | 0 | 0 | 111 | F520 | F520-N522 PolarHBondContact O-N 2.94Š|
| 523 | N | 33.8 | Very low | 36 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | 67 | 67.4 | 132.3 | -143.4 | 2.7 | 0 | 0 | 0 | 117.7 | | |
| 524 | V | 40 | Very low | 35.8 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -121.1 | 81 | 142.7 | -150.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 525 | N | 30.9 | Very low | 35.7 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -55.6 | 140.4 | 157.8 | -164.9 | -4.3 | 0 | 0 | 0 | 107.7 | | |
| 526 | M | 29.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | 94.5 | 73.4 | 168.8 | -150.1 | 155 | -70.7 | 0 | 0 | 118.3 | | |
| 527 | A | 32.4 | Very low | 35.7 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -160 | 58.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M529 | A527-M529 PolarHBondContact O-N 2.92Š|
| 528 | M | 33 | Very low | 35.9 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 94% | 0.941 | 79% | 0.787 | S | S | * | * | | | trans | -68.3 | 79.1 | 154.8 | -70.6 | -166.2 | -56.8 | 0 | 0 | 107.9 | | |
| 529 | M | 35.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | | | trans | -121.9 | 80.7 | 167.7 | -164 | 164.8 | 143 | 0 | 0 | 108.7 | A527 N531 | A527-M529 PolarHBondContact O-N 2.92Å; M529-N531 PolarHBondContact O-N 2.96Å |
| 530 | M | 36.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | | | trans | 32.8 | 85 | 135.3 | -63.9 | 178.8 | 174.7 | 0 | 0 | 115.5 | | |
| 531 | N | 34.5 | Very low | 36.8 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -126.6 | 62.1 | 143.7 | -93.8 | -50.9 | 0 | 0 | 0 | 108.8 | M529 M533 | M529-N531 PolarHBondContact O-N 2.96Å; N531-M533 PolarHBondContact O-N 3.38Å |
| 532 | T | 35.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -72.3 | 65 | 161 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | V534 | T532-V534 VanDerWaalsContact C-N 3.29Å; T532-V534 PolarHBondContact O-N 2.86Å |
| 533 | M | 36.7 | Very low | 37.9 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -85.5 | 89.5 | 152.7 | -80.6 | -167.5 | -74.7 | 0 | 0 | 106 | N531 K535 | N531-M533 PolarHBondContact O-N 3.38Å; M533-K535 PolarHBondContact O-N 2.89Å |
| 534 | V | 40.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -57.7 | 90.6 | 170.5 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | T532 | T532-V534 VanDerWaalsContact C-N 3.29Å; T532-V534 PolarHBondContact O-N 2.86Å |
| 535 | K | 34.6 | Very low | 38.4 | Very low | 187 Ų | 187 | 136 Ų | 136 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -66.7 | 126.2 | 172.9 | -160.6 | 173.1 | -178.4 | 177.5 | 0 | 106.2 | M533 A537 | M533-K535 PolarHBondContact O-N 2.89Å; K535-A537 PolarHBondContact O-N 3.24Å |
| 536 | P | 41.7 | Very low | 39 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | -54.3 | 127 | -179.1 | -23.8 | 32 | 0 | 0 | 0 | 109.8 | V538 | P536-V538 PolarHBondContact O-N 3.26Š|
| 537 | A | 39.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -57.4 | 104.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | K535 | K535-A537 PolarHBondContact O-N 3.24Š|
| 538 | V | 39.5 | Very low | 40.6 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 129.9 | 170.8 | -174.2 | 0 | 0 | 0 | 0 | 106.2 | P536 I540 | P536-V538 PolarHBondContact O-N 3.26Å; V538-I540 PolarHBondContact O-N 2.84Å; V538-I540 VanDerWaalsContact O-N 3.13Å |
| 539 | P | 44.2 | Very low | 41.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.8 | 178.7 | -23.9 | 32.5 | 0 | 0 | 0 | 109.6 | P541 | P539-P541 VanDerWaalsContact O-CD 3.3Å; P539-P541 WeakPolarHBondContact O-CD 3.25Å; P539-P541 VanDerWaalsContact O-N 3.11Å |
| 540 | I | 42.9 | Very low | 42 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.1 | 172.3 | -57.7 | 170.8 | 0 | 0 | 0 | 105.7 | V538 N542 | V538-I540 PolarHBondContact O-N 2.84Å; V538-I540 VanDerWaalsContact O-N 3.13Å; I540-N542 PolarHBondContact O-N 2.88Å; I540-N542 VanDerWaalsContact O-N 3.08Å |
| 541 | P | 41.2 | Very low | 42.5 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123.3 | 175.8 | -21.4 | 31.1 | 0 | 0 | 0 | 107.2 | P539 T543 | P539-P541 VanDerWaalsContact O-CD 3.3Å; P539-P541 WeakPolarHBondContact O-CD 3.25Å; P539-P541 VanDerWaalsContact O-N 3.11Å; P541-T543 PolarHBondContact O-N 2.73Å |
| 542 | N | 44.3 | Very low | 43.5 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | -48.3 | 108.4 | 174.7 | -51.9 | -0.9 | 0 | 0 | 0 | 106.2 | I540 T544 | I540-N542 PolarHBondContact O-N 2.88Å; I540-N542 VanDerWaalsContact O-N 3.08Å; N542-T544 PolarHBondContact O-N 2.92Å |
| 543 | T | 47.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | -66.4 | 84.1 | 169.9 | 48.1 | 0 | 0 | 0 | 0 | 104.8 | P541 C545 | P541-T543 PolarHBondContact O-N 2.73Å; T543-C545 VanDerWaalsContact C-N 3.28Å; T543-C545 PolarHBondContact O-N 3.48Å |
| 544 | T | 43.4 | Very low | 45.1 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -54.5 | 107.4 | 161.1 | -55.5 | 0 | 0 | 0 | 0 | 102.6 | N542 T546 | N542-T544 PolarHBondContact O-N 2.92Å; T544-T546 PolarHBondContact O-N 2.98Å |
| 545 | C | 41.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 89.4 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 106.4 | T543 P547 | T543-C545 VanDerWaalsContact C-N 3.28Å; T543-C545 PolarHBondContact O-N 3.48Å; C545-P547 WeakPolarHBondContact O-CD 3.31Å |
| 546 | T | 42.7 | Very low | 45.9 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -65.3 | 113.7 | 167.8 | 24.6 | 0 | 0 | 0 | 0 | 104.6 | T544 | T544-T546 PolarHBondContact O-N 2.98Š|
| 547 | P | 49 | Very low | 46.5 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58 | 143.3 | 178 | 23 | -30.9 | 0 | 0 | 0 | 108.4 | C545 | C545-P547 WeakPolarHBondContact O-CD 3.31Š|
| 548 | P | 47.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 151.1 | -179.2 | 20.7 | -31.5 | 0 | 0 | 0 | 110.7 | A550 | P548-A550 PolarHBondContact O-N 2.82Å; P548-A550 VanDerWaalsContact O-N 3.12Å |
| 549 | P | 44.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -47 | 122.3 | -177.8 | -25.7 | 32.3 | 0 | 0 | 0 | 110.5 | L551 | P549-L551 PolarHBondContact O-N 3.02Š|
| 550 | A | 52.4 | Low | 47.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | | | trans | -56.4 | 113.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108 | P548 | P548-A550 PolarHBondContact O-N 2.82Å; P548-A550 VanDerWaalsContact O-N 3.12Å |
| 551 | L | 47.7 | Very low | 47.4 | Very low | 156 Ų | 156 | 120.7 Ų | 120.7 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.1 | 172.7 | -73.7 | 169.3 | 0 | 0 | 0 | 108.6 | P549 | P549-L551 PolarHBondContact O-N 3.02Š|
| 552 | P | 55.6 | Low | 47.7 | Very low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143.1 | 179.6 | 20.8 | -31.2 | 0 | 0 | 0 | 109.9 | R554 | P552-R554 PolarHBondContact O-N 3.27Š|
| 553 | P | 56.3 | Low | 48 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 118.8 | 177.9 | -24.2 | 31.7 | 0 | 0 | 0 | 109.6 | R555 | P553-R555 PolarHBondContact O-N 3.41Š|
| 554 | R | 50.2 | Low | 47.7 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117.4 | 172.7 | -79.6 | -177.1 | 170.3 | -153.9 | -2.7 | 106.8 | P552 I556 | P552-R554 PolarHBondContact O-N 3.27Å; R554-I556 PolarHBondContact O-N 2.87Å |
| 555 | R | 46.8 | Very low | 47.9 | Very low | 224 Ų | 224 | 121.5 Ų | 121.5 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | | | trans | -56.3 | 107 | -178.4 | -138.2 | 175.4 | -177.4 | -119.5 | 2.7 | 106.9 | P553 I557 | P553-R555 PolarHBondContact O-N 3.41Å; R555-I557 VanDerWaalsContact C-N 3.31Å; R555-I557 PolarHBondContact O-N 2.92Å |
| 556 | I | 45.2 | Very low | 47.9 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | | | trans | -69.6 | 95.9 | 177.3 | -48.3 | 174.3 | 0 | 0 | 0 | 105.4 | R554 | R554-I556 PolarHBondContact O-N 2.87Š|
| 557 | I | 54.6 | Low | 47.9 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 61% | 0.605 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83.1 | 117.3 | 171.5 | -60.5 | 174.3 | 0 | 0 | 0 | 105.5 | R555 G559 | R555-I557 VanDerWaalsContact C-N 3.31Å; R555-I557 PolarHBondContact O-N 2.92Å; I557-G559 PolarHBondContact O-N 3.03Å |
| 558 | N | 51.8 | Low | 47.5 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.4 | 33.5 | 174.9 | -63.3 | -12.6 | 0 | 0 | 0 | 116.6 | V560 | N558-V560 PolarHBondContact O-N 2.79Å; N558-V560 VanDerWaalsContact O-N 3.11Å |
| 559 | G | 46.5 | Very low | 47.2 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 6.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I557 | I557-G559 PolarHBondContact O-N 3.03Š|
| 560 | V | 47.3 | Very low | 47 | Very low | 61 Ų | 61 | 123 Ų | 123 | 37% | 0.37 | 67% | 0.674 | S | S | . | * | | | trans | -111.9 | 116.9 | 177.3 | -167.5 | 0 | 0 | 0 | 0 | 107.3 | N558 D564 I565 | N558-V560 PolarHBondContact O-N 2.79Å; N558-V560 VanDerWaalsContact O-N 3.11Å; V560-D564 HydrophobicContact CG1-CB 3.47Å; V560-D564 VanDerWaalsContact CG1-CB 3.47Å; V560-I565 HydrophobicContact CG1-CG1 4.4Å |
| 561 | G | 38.7 | Very low | 46.6 | Very low | 33 Ų | 33 | 126.9 Ų | 126.9 | 34% | 0.34 | 68% | 0.677 | S | S | . | * | | | trans | -56.1 | 146.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | E563 D564 | G561-E563 PolarHBondContact O-N 3.12Å; G561-D564 PolarHBondContact O-N 2.87Å |
| 562 | L | 48.5 | Very low | 46.5 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -3.8 | 179.9 | -81.7 | 162.4 | 0 | 0 | 0 | 114 | I565 | L562-I565 HydrophobicContact CD2-CD1 4.48Š|
| 563 | E | 50.5 | Low | 46.3 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -17.2 | 170.5 | 37.1 | -92.5 | -168.6 | 0 | 0 | 114.6 | G561 | G561-E563 PolarHBondContact O-N 3.12Š|
| 564 | D | 42.1 | Very low | 45.9 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | | | trans | -118.1 | 14.2 | -172.3 | -93.9 | -19.5 | 0 | 0 | 0 | 115.2 | V560 G561 E566 | V560-D564 HydrophobicContact CG1-CB 3.47Å; V560-D564 VanDerWaalsContact CG1-CB 3.47Å; G561-D564 PolarHBondContact O-N 2.87Å; D564-E566 PolarHBondContact O-N 3.01Å; D564-E566 VanDerWaalsContact O-N 3.08Å |
| 565 | I | 46.2 | Very low | 46.1 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | | | trans | -85.9 | 65.3 | 166.2 | -48.9 | 177.7 | 0 | 0 | 0 | 108.3 | V560 L562 D567 | V560-I565 HydrophobicContact CG1-CG1 4.4Å; L562-I565 HydrophobicContact CD2-CD1 4.48Å; I565-D567 HydrophobicContact CG2-CB 3.65Å; I565-D567 PolarHBondContact O-N 2.95Å; I565-D567 VanDerWaalsContact O-N 3.15Å |
| 566 | E | 42.8 | Very low | 46.4 | Very low | 183 Ų | 183 | 111.2 Ų | 111.2 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | | | trans | -77.2 | 61 | 147 | -69.8 | -157.1 | 145.6 | 0 | 0 | 107.5 | D564 P568 | D564-E566 PolarHBondContact O-N 3.01Å; D564-E566 VanDerWaalsContact O-N 3.08Å; E566-P568 WeakPolarHBondContact O-CD 3.27Å |
| 567 | D | 41.5 | Very low | 47 | Very low | 94 Ų | 94 | 110.9 Ų | 110.9 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | | | trans | -86.3 | 110.9 | 164.7 | -157.4 | 3.4 | 0 | 0 | 0 | 105.5 | I565 Q569 | I565-D567 HydrophobicContact CG2-CB 3.65Å; I565-D567 PolarHBondContact O-N 2.95Å; I565-D567 VanDerWaalsContact O-N 3.15Å; D567-Q569 HydrophobicContact CB-CG 4.11Å; D567-Q569 PolarHBondContact O-N 3.08Å; D567-Q569 VanDerWaalsContact OD2-CG 3.31Å; D567-Q569 WeakPolarHBondContact OD2-CG 3.2Å; D567-Q569 PolarHBondContact OD2-NE2 3.18Å |
| 568 | P | 40.3 | Very low | 47 | Very low | 116 Ų | 116 | 105.4 Ų | 105.4 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | | | trans | -72.1 | 63.4 | 170.2 | 33.3 | -34.1 | 0 | 0 | 0 | 107.7 | E566 S570 | E566-P568 WeakPolarHBondContact O-CD 3.27Å; P568-S570 PolarHBondContact O-N 3.44Å |
| 569 | Q | 42 | Very low | 47.4 | Very low | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 59% | 0.593 | S | S | * | * | | | trans | -73.1 | 76.2 | 159.9 | -61.5 | -145.7 | -3.7 | 0 | 0 | 106.6 | D567 M571 | D567-Q569 HydrophobicContact CB-CG 4.11Å; D567-Q569 PolarHBondContact O-N 3.08Å; D567-Q569 VanDerWaalsContact OD2-CG 3.31Å; D567-Q569 WeakPolarHBondContact OD2-CG 3.2Å; D567-Q569 PolarHBondContact OD2-NE2 3.18Å; Q569-M571 PolarHBondContact O-N 3.09Å; Q569-M571 VanDerWaalsContact O-N 3.11Å |
| 570 | S | 40.8 | Very low | 47.9 | Very low | 96 Ų | 96 | 109.6 Ų | 109.6 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | | 27.2 | 85.3 | 125.1 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | P568 T572 | P568-S570 PolarHBondContact O-N 3.44Å; S570-T572 VanDerWaalsContact C-N 3.26Å; S570-T572 PolarHBondContact O-N 3.16Å |
| 571 | M | 44 | Very low | 48.7 | Very low | 184 Ų | 184 | 115 Ų | 115 | 91% | 0.906 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36.6 | 61.2 | 154 | -54.3 | -149.6 | -172.7 | 0 | 0 | 111.8 | Q569 S573 | Q569-M571 PolarHBondContact O-N 3.09Å; Q569-M571 VanDerWaalsContact O-N 3.11Å; M571-S573 WeakPolarHBondContact O-CA 3.46Å; M571-S573 PolarHBondContact O-N 3Å |
| 572 | T | 46 | Very low | 49.6 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | | | trans | -54.8 | 98.6 | 156.7 | -55.1 | 0 | 0 | 0 | 0 | 102.3 | S570 C574 | S570-T572 VanDerWaalsContact C-N 3.26Å; S570-T572 PolarHBondContact O-N 3.16Å; T572-C574 PolarHBondContact O-N 3.34Å |
| 573 | S | 49.9 | Very low | 50.1 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | | | trans | -43.9 | 118.3 | -169.7 | 15.6 | 0 | 0 | 0 | 0 | 103.9 | M571 I575 | M571-S573 WeakPolarHBondContact O-CA 3.46Å; M571-S573 PolarHBondContact O-N 3Å; S573-I575 PolarHBondContact O-N 2.69Å |
| 574 | C | 48.1 | Very low | 50.1 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 84% | 0.838 | 61% | 0.613 | S | S | * | * | | | trans | -57.3 | 93.5 | 169.9 | -55.6 | 0 | 0 | 0 | 0 | 103.2 | T572 S576 | T572-C574 PolarHBondContact O-N 3.34Å; C574-S576 PolarHBondContact O-N 2.67Å |
| 575 | I | 54.1 | Low | 50.7 | Low | 92 Ų | 92 | 111.3 Ų | 111.3 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | | | trans | -60.2 | 104.6 | 176.5 | -63.6 | 177.4 | 0 | 0 | 0 | 100.9 | S573 L577 E579 R580 | S573-I575 PolarHBondContact O-N 2.69Å; I575-L577 PolarHBondContact O-N 2.92Å; I575-E579 WeakPolarHBondContact CA-OE2 3.3Å; I575-E579 HydrophobicContact CG2-CB 3.45Å; I575-E579 VanDerWaalsContact CG2-CB 3.45Å; I575-R580 HydrophobicContact CG2-CG 3.87Å |
| 576 | S | 54.2 | Low | 51.1 | Low | 51 Ų | 51 | 110.6 Ų | 110.6 | 36% | 0.357 | 62% | 0.62 | S | S | . | * | | | trans | -53.3 | 145.8 | -176.7 | 171.2 | 0 | 0 | 0 | 0 | 106.1 | C574 A578 E579 R580 | C574-S576 PolarHBondContact O-N 2.67Å; S576-A578 CarbonylContact O-C 3.58Å; S576-A578 PolarHBondContact O-N 2.91Å; S576-A578 WeakPolarHBondContact OG-CB 3.21Å; S576-A578 PolarHBondContact OG-N 3.33Å; S576-E579 WeakPolarHBondContact O-CA 3.19Å; S576-E579 PolarHBondContact O-N 3.15Å; S576-R580 PolarHBondContact O-N 3.13Å; S576-R580 VanDerWaalsContact O-N 3.07Å |
| 577 | L | 57.2 | Low | 51.3 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -50 | -30.7 | 172.3 | -69.4 | 170.5 | 0 | 0 | 0 | 110.3 | I575 E579 R580 Y581 | I575-L577 PolarHBondContact O-N 2.92Å; L577-E579 PolarHBondContact O-N 3.03Å; L577-R580 PolarHBondContact O-N 2.93Å; L577-Y581 HydrophobicContact CD2-CE2 4.39Å; L577-Y581 WeakPolarHBondContact O-CD2 3.34Å; L577-Y581 PolarHBondContact O-N 3.12Å |
| 578 | A | 54.6 | Low | 51.6 | Low | 3 Ų | 3 | 114.3 Ų | 114.3 | 3% | 0.025 | 64% | 0.638 | C | S | . | * | H | α-helix | trans | -56.1 | -47.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S576 Y581 G582 L583 I588 | S576-A578 CarbonylContact O-C 3.58Å; S576-A578 PolarHBondContact O-N 2.91Å; S576-A578 WeakPolarHBondContact OG-CB 3.21Å; S576-A578 PolarHBondContact OG-N 3.33Å; A578-Y581 CarbonylContact O-C 3.51Å; A578-Y581 PolarHBondContact O-N 2.8Å; A578-G582 CarbonylContact O-C 3.58Å; A578-G582 PolarHBondContact O-N 3.13Å; A578-L583 HydrophobicContact CB-CB 4.33Å; A578-L583 PolarHBondContact O-N 2.95Å; A578-I588 HydrophobicContact CB-CD1 3.75Å |
| 579 | E | 59.4 | Low | 52.2 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.4 | -35.2 | 177.6 | -73.7 | -177.5 | 151 | 0 | 0 | 112 | I575 S576 L577 Y581 G582 | I575-E579 WeakPolarHBondContact CA-OE2 3.3Å; I575-E579 HydrophobicContact CG2-CB 3.45Å; I575-E579 VanDerWaalsContact CG2-CB 3.45Å; S576-E579 WeakPolarHBondContact O-CA 3.19Å; S576-E579 PolarHBondContact O-N 3.15Å; L577-E579 PolarHBondContact O-N 3.03Å; E579-Y581 VanDerWaalsContact C-N 3.26Å; E579-Y581 PolarHBondContact O-N 3.08Å; E579-G582 PolarHBondContact O-N 3.35Å |
| 580 | R | 58.2 | Low | 52.7 | Low | 189 Ų | 189 | 113.5 Ų | 113.5 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.9 | -32.4 | 173.9 | -85.1 | -166.2 | -175.4 | -136 | 1.9 | 112.8 | I575 S576 L577 | I575-R580 HydrophobicContact CG2-CG 3.87Å; S576-R580 PolarHBondContact O-N 3.13Å; S576-R580 VanDerWaalsContact O-N 3.07Å; L577-R580 PolarHBondContact O-N 2.93Å |
| 581 | Y | 63.3 | Low | 53.4 | Low | 176 Ų | 176 | 114.5 Ų | 114.5 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 5.1 | -179.5 | -67.5 | -67.2 | 0 | 0 | 0 | 113.7 | L577 A578 E579 L583 | L577-Y581 HydrophobicContact CD2-CE2 4.39Å; L577-Y581 WeakPolarHBondContact O-CD2 3.34Å; L577-Y581 PolarHBondContact O-N 3.12Å; A578-Y581 CarbonylContact O-C 3.51Å; A578-Y581 PolarHBondContact O-N 2.8Å; E579-Y581 VanDerWaalsContact C-N 3.26Å; E579-Y581 PolarHBondContact O-N 3.08Å; Y581-L583 PolarHBondContact O-N 3.07Å |
| 582 | G | 58.2 | Low | 53.9 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62 | 23.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | A578 E579 | A578-G582 CarbonylContact O-C 3.58Å; A578-G582 PolarHBondContact O-N 3.13Å; E579-G582 PolarHBondContact O-N 3.35Å |
| 583 | L | 57.8 | Low | 54.4 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | | | trans | -74.3 | 132.5 | 179.8 | -72.5 | 164.5 | 0 | 0 | 0 | 109.5 | A578 Y581 V585 | A578-L583 HydrophobicContact CB-CB 4.33Å; A578-L583 PolarHBondContact O-N 2.95Å; Y581-L583 PolarHBondContact O-N 3.07Å; L583-V585 PolarHBondContact O-N 3.33Å; L583-V585 VanDerWaalsContact O-N 3.11Å |
| 584 | P | 51.2 | Low | 54.7 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | | | trans | -54.9 | 121.1 | 169.9 | -19.6 | 29.9 | 0 | 0 | 0 | 108.9 | A586 E587 | P584-A586 PolarHBondContact O-N 2.8Å; P584-E587 PolarHBondContact O-N 3.2Å |
| 585 | V | 55.7 | Low | 55.2 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -61 | -6 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | L583 E587 | L583-V585 PolarHBondContact O-N 3.33Å; L583-V585 VanDerWaalsContact O-N 3.11Å; V585-E587 PolarHBondContact O-N 2.9Å |
| 586 | A | 54.5 | Low | 55.3 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -69.9 | -6.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | P584 | P584-A586 PolarHBondContact O-N 2.8Š|
| 587 | E | 47.2 | Very low | 55.4 | Low | 178 Ų | 178 | 117.9 Ų | 117.9 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -112.4 | 8.7 | 179.6 | -81.5 | -174.6 | 164.1 | 0 | 0 | 115.4 | P584 V585 | P584-E587 PolarHBondContact O-N 3.2Å; V585-E587 PolarHBondContact O-N 2.9Å |
| 588 | I | 47.1 | Very low | 55.2 | Low | 176 Ų | 176 | 117.5 Ų | 117.5 | 90% | 0.903 | 63% | 0.626 | S | S | * | * | | | trans | -107.8 | 0 | 168.6 | -45.8 | 176.9 | 0 | 0 | 0 | 108.4 | A578 | A578-I588 HydrophobicContact CB-CD1 3.75Š|