| 1 | M | 42.1 | Very low | 46.9 | Very low | 245 Ų | 245 | 148.5 Ų | 148.5 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | | | | 0 | 129.9 | 0 | -74.3 | 147.8 | 136.1 | 0 | 0 | 107.4 | | |
| 2 | S | 40.5 | Very low | 47.1 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -130.2 | 130.2 | -172.1 | -52.8 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | S | 42.3 | Very low | 47 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | | | trans | -173.1 | 168.5 | 163.4 | 37.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 4 | Y | 40.9 | Very low | 46.7 | Very low | 211 Ų | 211 | 142.4 Ų | 142.4 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 73.9 | 77.7 | 170.5 | -47.1 | -66.7 | 0 | 0 | 0 | 119 | | |
| 5 | S | 48.4 | Very low | 46.9 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | | -175.3 | 82.8 | 129.8 | -85.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 6 | T | 52.6 | Low | 47.2 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -158.8 | 61.7 | 169.9 | 15.3 | 0 | 0 | 0 | 0 | 112 | | |
| 7 | S | 51.2 | Low | 47.5 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -143.7 | -2.6 | -177.1 | -45.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 8 | K | 49.1 | Very low | 47.9 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -109.9 | -7.1 | -172.5 | -116.9 | 178.3 | -179.1 | 178.9 | 0 | 116.4 | | |
| 9 | T | 50.9 | Low | 48.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -92.8 | -23.6 | -176.6 | 44.3 | 0 | 0 | 0 | 0 | 114.7 | A11 | T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 2.86Å |
| 10 | K | 49 | Very low | 48.3 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -13.9 | 179.6 | -101.5 | -173.4 | 174.5 | -176.8 | 0 | 115.2 | | |
| 11 | A | 49.5 | Very low | 48.5 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -2.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T9 | T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 2.86Å |
| 12 | L | 48.9 | Very low | 48.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -8.4 | -174.4 | -84.5 | 168 | 0 | 0 | 0 | 115.4 | | |
| 13 | E | 45.9 | Very low | 49.6 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -29.9 | -178.7 | -148.4 | -167.7 | 118.5 | 0 | 0 | 113.5 | S15 K16 K17 | E13-S15 PolarHBondContact O-N 3.28Å; E13-K16 PolarHBondContact O-N 2.92Å; E13-K17 VanDerWaalsContact OE1-CE 3.32Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å |
| 14 | D | 43.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 142 Ų | 142 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -68 | -19.9 | 179.4 | -80.2 | -21.5 | 0 | 0 | 0 | 113.7 | K16 | D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.41Å |
| 15 | S | 49.6 | Very low | 50.3 | Low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -73.6 | -12.5 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 114 | E13 | E13-S15 PolarHBondContact O-N 3.28Š|
| 16 | K | 50.8 | Low | 50.5 | Low | 186 Ų | 186 | 139 Ų | 139 | 81% | 0.809 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -100.9 | -1.2 | 178.5 | -77.8 | -171.2 | 173.4 | -176.6 | 0 | 114.7 | E13 D14 | E13-K16 PolarHBondContact O-N 2.92Å; D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.41Å |
| 17 | K | 51.9 | Low | 50.2 | Low | 136 Ų | 136 | 145 Ų | 145 | 59% | 0.591 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.2 | 10.2 | -173.3 | -57.1 | 178.3 | -171.3 | 175.2 | 0 | 113.6 | E13 | E13-K17 VanDerWaalsContact OE1-CE 3.32Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å |
| 18 | K | 55.3 | Low | 50 | Low | 167 Ų | 167 | 145.9 Ų | 145.9 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -131.3 | 13.5 | -168.7 | -62 | -178.2 | -177.6 | 174.8 | 0 | 114.8 | | |
| 19 | T | 53.8 | Low | 49.8 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -115.3 | 25.2 | -173.9 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 20 | S | 49.2 | Very low | 49.6 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -155.8 | 66.9 | -177.3 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 21 | L | 52.7 | Low | 49.4 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | | | trans | -171.7 | 61.3 | 159 | -107.8 | 167.9 | 0 | 0 | 0 | 110.8 | | |
| 22 | L | 50.3 | Low | 49.5 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -140.1 | 96.8 | 165.1 | -79.9 | 173.9 | 0 | 0 | 0 | 106.9 | | |
| 23 | K | 56 | Low | 49.7 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | | | trans | -153.4 | 33.6 | -175.7 | -133.3 | 168.3 | -172.4 | 175.6 | 0 | 112.2 | | |
| 24 | D | 47.3 | Very low | 50.1 | Low | 100 Ų | 100 | 152.6 Ų | 152.6 | 54% | 0.535 | 76% | 0.759 | S | S | . | * | | | trans | -139.9 | 82 | -165.3 | 49.7 | -45 | 0 | 0 | 0 | 109 | S26 | D24-S26 PolarHBondContact O-N 3.01Š|
| 25 | N | 51.1 | Low | 50.5 | Low | 176 Ų | 176 | 156.5 Ų | 156.5 | 94% | 0.941 | 78% | 0.78 | S | S | * | * | | | trans | -72.9 | 61.8 | 177 | -71.4 | -5.2 | 0 | 0 | 0 | 111.3 | | |
| 26 | S | 53.1 | Low | 51 | Low | 93 Ų | 93 | 159.9 Ų | 159.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -133.7 | 57 | -167.6 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | D24 I28 | D24-S26 PolarHBondContact O-N 3.01Å; S26-I28 VanDerWaalsContact C-N 3.35Å; S26-I28 PolarHBondContact O-N 3.29Å |
| 27 | W | 44.8 | Very low | 51.3 | Low | 260 Ų | 260 | 156.8 Ų | 156.8 | 99% | 0.985 | 79% | 0.786 | S | S | * | * | | | trans | -96.5 | 51.6 | 167 | -75.3 | -6.6 | 0 | 0 | 0 | 112.8 | | |
| 28 | I | 47.5 | Very low | 51.4 | Low | 139 Ų | 139 | 155.8 Ų | 155.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -131.3 | 117.5 | 159.1 | -68.1 | 177.9 | 0 | 0 | 0 | 106.9 | S26 K30 | S26-I28 VanDerWaalsContact C-N 3.35Å; S26-I28 PolarHBondContact O-N 3.29Å; I28-K30 HydrophobicContact CG2-CG 4.32Å; I28-K30 PolarHBondContact O-N 2.88Å |
| 29 | R | 44.8 | Very low | 51.4 | Low | 247 Ų | 247 | 155.4 Ų | 155.4 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | -74.3 | 106.2 | 163.9 | -67.9 | 176.8 | 69.5 | 176 | 2 | 107.1 | | |
| 30 | K | 46.9 | Very low | 51.3 | Low | 177 Ų | 177 | 160 Ų | 160 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -75.6 | 151.9 | 160.4 | -64.5 | -175.3 | 178.7 | -176.8 | 0 | 108.4 | I28 | I28-K30 HydrophobicContact CG2-CG 4.32Å; I28-K30 PolarHBondContact O-N 2.88Å |
| 31 | T | 44.9 | Very low | 51.7 | Low | 116 Ų | 116 | 159.1 Ų | 159.1 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -79.3 | 138.2 | 159.5 | 40.9 | 0 | 0 | 0 | 0 | 108.4 | D33 | T31-D33 PolarHBondContact O-N 3.38Š|
| 32 | D | 52.2 | Low | 52 | Low | 161 Ų | 161 | 157.5 Ų | 157.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -83.3 | 85.7 | 173.9 | -57.7 | -73.7 | 0 | 0 | 0 | 109 | | |
| 33 | D | 52.3 | Low | 52.1 | Low | 123 Ų | 123 | 154.6 Ų | 154.6 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | trans | -142.9 | 152 | 173.2 | -68.5 | -69.1 | 0 | 0 | 0 | 109.1 | T31 | T31-D33 PolarHBondContact O-N 3.38Š|
| 34 | E | 54.5 | Low | 52 | Low | 171 Ų | 171 | 153.1 Ų | 153.1 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 67 | 44.6 | 172.5 | -47.6 | -54.7 | 97.9 | 0 | 0 | 119.4 | E36 | E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.84Å |
| 35 | D | 51.2 | Low | 51.9 | Low | 175 Ų | 175 | 152 Ų | 152 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | | | trans | -88.4 | 62.5 | 156.4 | -100.9 | -35 | 0 | 0 | 0 | 110.7 | | |
| 36 | E | 60.5 | Low | 51.8 | Low | 157 Ų | 157 | 151.9 Ų | 151.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -79.3 | 130.1 | 170.7 | -166.5 | -177.4 | -127.1 | 0 | 0 | 110.3 | E34 V38 | E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.84Å; E36-V38 PolarHBondContact O-N 3.25Å |
| 37 | P | 56.3 | Low | 51.6 | Low | 121 Ų | 121 | 152.1 Ų | 152.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -73.6 | 87.6 | -179.1 | 30 | -35.6 | 0 | 0 | 0 | 111.7 | D39 | P37-D39 PolarHBondContact O-N 3.23Š|
| 38 | V | 54.9 | Low | 51.7 | Low | 115 Ų | 115 | 146.1 Ų | 146.1 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | | | trans | -59 | 106.7 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | E36 R40 | E36-V38 PolarHBondContact O-N 3.25Å; V38-R40 PolarHBondContact O-N 2.81Å |
| 39 | D | 56 | Low | 51.5 | Low | 158 Ų | 158 | 147.9 Ų | 147.9 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -63.7 | 121 | 177.7 | -167.3 | 7 | 0 | 0 | 0 | 110.6 | P37 D41 | P37-D39 PolarHBondContact O-N 3.23Å; D39-D41 PolarHBondContact O-N 3.48Å |
| 40 | R | 51.8 | Low | 51.4 | Low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | -98.6 | 85.8 | -171.4 | -80.1 | -168.4 | 170.1 | -160.4 | -1.5 | 111 | V38 P42 | V38-R40 PolarHBondContact O-N 2.81Å; R40-P42 WeakPolarHBondContact O-CD 3.21Å; R40-P42 VanDerWaalsContact O-N 3.14Å |
| 41 | D | 55.7 | Low | 51.3 | Low | 92 Ų | 92 | 143.7 Ų | 143.7 | 49% | 0.492 | 77% | 0.766 | S | S | . | * | | | trans | -50.4 | 116.2 | 165.5 | 177.6 | -0.9 | 0 | 0 | 0 | 110.4 | D39 N43 F44 | D39-D41 PolarHBondContact O-N 3.48Å; D41-N43 PolarHBondContact O-N 2.96Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 VanDerWaalsContact OD1-CB 3.31Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.91Å; D41-F44 HydrophobicContact CB-CD2 4.28Å |
| 42 | P | 58.9 | Low | 51 | Low | 133 Ų | 133 | 144.2 Ų | 144.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -10.7 | -180 | -23.2 | 35.4 | 0 | 0 | 0 | 115.2 | R40 | R40-P42 WeakPolarHBondContact O-CD 3.21Å; R40-P42 VanDerWaalsContact O-N 3.14Å |
| 43 | N | 53.1 | Low | 50.3 | Low | 103 Ų | 103 | 144.5 Ų | 144.5 | 55% | 0.551 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 4.6 | -166.8 | -161.9 | 31.4 | 0 | 0 | 0 | 115.4 | D41 G45 | D41-N43 PolarHBondContact O-N 2.96Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 VanDerWaalsContact OD1-CB 3.31Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.91Å; N43-G45 PolarHBondContact O-N 3.22Å |
| 44 | F | 53.5 | Low | 49.5 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -8.7 | -177.3 | -114 | -93.4 | 0 | 0 | 0 | 115.7 | D41 | D41-F44 HydrophobicContact CB-CD2 4.28Š|
| 45 | G | 46.7 | Very low | 48.8 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 4.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | N43 | N43-G45 PolarHBondContact O-N 3.22Š|
| 46 | K | 48 | Very low | 47.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -121 | -11.3 | -170.8 | -74.9 | -169.6 | 173.1 | -177.1 | 0 | 117.9 | V48 | K46-V48 PolarHBondContact O-N 3.45Š|
| 47 | S | 48.3 | Very low | 46.6 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 12.5 | -167.6 | -54.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 48 | V | 48.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 0.8 | -171.1 | -167.5 | 0 | 0 | 0 | 0 | 113.4 | K46 | K46-V48 PolarHBondContact O-N 3.45Š|
| 49 | L | 43.5 | Very low | 44.2 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -121 | 22.9 | -177 | -71.4 | 174.6 | 0 | 0 | 0 | 114.6 | | |
| 50 | S | 42.8 | Very low | 43.1 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | trans | -125.3 | 32.8 | -175.7 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 51 | R | 44.8 | Very low | 42.2 | Very low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116 | 96.1 | 167.7 | -73.7 | -163.6 | 179.3 | -152.6 | 0 | 112.9 | | |
| 52 | V | 38.7 | Very low | 41.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 63.4 | 72.5 | 150.3 | -160.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 53 | N | 36.1 | Very low | 40.6 | Very low | 167 Ų | 167 | 138 Ų | 138 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | | -99.3 | 116.4 | 120.3 | -90.8 | -5.1 | 0 | 0 | 0 | 106.7 | | |
| 54 | N | 36.2 | Very low | 40.3 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -158.2 | 129 | 156.7 | -131.3 | 38.1 | 0 | 0 | 0 | 109.2 | | |
| 55 | T | 40 | Very low | 39.4 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -98.9 | 136.2 | 178.3 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 56 | D | 31.9 | Very low | 38.7 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -155.4 | -172.3 | 139.5 | -136.8 | -43.6 | 0 | 0 | 0 | 111.6 | | |
| 57 | T | 33.2 | Very low | 38 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -129.7 | 175.4 | -144 | 53.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 58 | T | 32.2 | Very low | 37.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 107 | 131.4 | 155.8 | 69.8 | 0 | 0 | 0 | 0 | 121 | | |
| 59 | D | 29.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | 76 | 98.5 | 142.4 | -153 | 30.8 | 0 | 0 | 0 | 123.5 | | |
| 60 | S | 33.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | -176 | 145.2 | 113.2 | -81.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 61 | S | 32 | Very low | 35.5 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -103.9 | 178 | 174.8 | -124.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 62 | P | 47.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | cis | -139 | 161.6 | 14.8 | 39.1 | -19.1 | 0 | 0 | 0 | 119.6 | | |
| 63 | E | 32.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | 12.7 | 153.8 | 134.8 | -94.2 | -109.4 | 108.4 | 0 | 0 | 121.7 | K65 | E63-K65 PolarHBondContact OE1-N 3.31Š|
| 64 | P | 48.4 | Very low | 34.4 | Very low | 94 Ų | 94 | 135 Ų | 135 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | | | cis | -151.4 | 158.7 | 46.2 | 41.6 | -20.4 | 0 | 0 | 0 | 122.6 | | |
| 65 | K | 33.8 | Very low | 34.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | trans | 75.2 | 147.7 | 151.5 | -69.9 | 154.1 | -172.1 | 171.1 | 0 | 118 | E63 | E63-K65 PolarHBondContact OE1-N 3.31Š|
| 66 | S | 32 | Very low | 34.1 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -151.7 | 129.6 | 5.5 | 169.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 67 | T | 34 | Very low | 34.3 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 18.1 | 126.4 | 138.8 | -45.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 68 | R | 33.1 | Very low | 34.9 | Very low | 231 Ų | 231 | 131.9 Ų | 131.9 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | | 178.9 | 130 | 104.2 | -163.7 | 164.3 | 88.9 | -177.8 | 6.6 | 117.2 | | |
| 69 | T | 30.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -28.5 | 163 | 162 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 70 | T | 31.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | | | cis | -176.5 | 151.7 | -8.5 | 31.6 | 0 | 0 | 0 | 0 | 113 | | |
| 71 | K | 34.8 | Very low | 35.6 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | 61.7 | 134.6 | 139.9 | -70.7 | 179.7 | 177.5 | -177.5 | 0 | 124.3 | | |
| 72 | T | 30.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | 66.8 | 154.5 | 145.6 | 51 | 0 | 0 | 0 | 0 | 119.1 | | |
| 73 | S | 33.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | cis | -140.1 | -170.8 | 15.7 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 74 | S | 33.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -142.7 | 139.4 | -172.6 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 75 | S | 33.6 | Very low | 34.7 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -171 | 159 | 145.9 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 76 | S | 35.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -85.3 | 159.8 | -177.4 | 53.8 | 0 | 0 | 0 | 0 | 115 | | |
| 77 | S | 35.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | | 179.9 | 165.8 | 115.1 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 78 | V | 46.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -135.5 | 124.6 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 79 | Q | 36.7 | Very low | 34.5 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -169.5 | 154.9 | 158.7 | -117.6 | 159 | 78.9 | 0 | 0 | 115.3 | | |
| 80 | A | 32.4 | Very low | 34.7 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | 58.8 | 110.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 81 | L | 40 | Very low | 34.8 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | | | trans | -153.9 | 136.1 | 132.1 | -111.3 | 162.2 | 0 | 0 | 0 | 109.9 | | |
| 82 | S | 36.1 | Very low | 34.7 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | | | trans | -159.1 | 157.7 | -179.5 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 83 | K | 40.6 | Very low | 34.9 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | 91.2 | 151.2 | 172.4 | -54.1 | 174.5 | -179.6 | 177.9 | 0 | 116.7 | | |
| 84 | R | 33.6 | Very low | 34.6 | Very low | 217 Ų | 217 | 143.9 Ų | 143.9 | 82% | 0.819 | 83% | 0.827 | S | S | * | * | | | trans | 68.9 | 138.3 | -169.2 | -66.5 | -179.1 | 164.9 | 175.6 | -5.9 | 113.6 | | |
| 85 | F | 33 | Very low | 34.4 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | | | cis | -112.1 | 173 | 12.1 | -74.3 | -95.8 | 0 | 0 | 0 | 114.3 | | |
| 86 | S | 32.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -133.8 | 149.5 | -176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 87 | G | 28.5 | Very low | 34.8 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | trans | 85.6 | 138.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 88 | S | 30.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | cis | -142 | 165.4 | 39.8 | -159.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 89 | T | 35.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -106.3 | 139.9 | 166.8 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 90 | D | 35.2 | Very low | 33.5 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -150.9 | 141.8 | 160.2 | -91.4 | -56.1 | 0 | 0 | 0 | 110.2 | | |
| 91 | D | 34 | Very low | 33.5 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | -92.5 | 147.6 | -175.5 | -75.3 | -63.7 | 0 | 0 | 0 | 112.9 | | |
| 92 | L | 33.6 | Very low | 33 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | | | trans | -150 | 154.1 | 142.1 | -147.8 | 60.2 | 0 | 0 | 0 | 113.9 | | |
| 93 | K | 32.7 | Very low | 32.7 | Very low | 186 Ų | 186 | 161.1 Ų | 161.1 | 81% | 0.809 | 83% | 0.83 | S | S | * | * | | | trans | -93.8 | 137.8 | -163.8 | -68.7 | 172.7 | 179.4 | 170.4 | 0 | 114.4 | | |
| 94 | T | 27.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | | 33.4 | 114 | 128 | -39.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 95 | M | 29.5 | Very low | 32.1 | Very low | 180 Ų | 180 | 153 Ų | 153 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -145.8 | 142.1 | 138.4 | -88.1 | -123.7 | 82.2 | 0 | 0 | 111.2 | | |
| 96 | T | 35.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | | | trans | -145.7 | 170.5 | 170 | 59.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 97 | P | 42 | Very low | 31.9 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | cis | -126.3 | -175 | -5.2 | 41.3 | -26.6 | 0 | 0 | 0 | 113 | | |
| 98 | S | 27.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | | | | 160.8 | 162.8 | 112.4 | 60.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 99 | Y | 32.6 | Very low | 32 | Very low | 226 Ų | 226 | 156 Ų | 156 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | | | trans | 65.6 | 123.9 | 168 | -67.8 | -72.3 | 0 | 0 | 0 | 122 | | |
| 100 | Y | 31.6 | Very low | 31.8 | Very low | 219 Ų | 219 | 159.1 Ų | 159.1 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | | | trans | -82.3 | 150.5 | 174.8 | -100.4 | -116.4 | 0 | 0 | 0 | 112.3 | | |
| 101 | S | 30.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | | -172.4 | 100 | 118.8 | -84.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 102 | K | 29.4 | Very low | 31.6 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -77.7 | 124 | 162.2 | -89.1 | -178.7 | 174.9 | 174.9 | 0 | 109.1 | | |
| 103 | R | 31.4 | Very low | 31.6 | Very low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | | | trans | -89.2 | 105.8 | 171.3 | -170.4 | 179.8 | -62.9 | -156.7 | 1.6 | 109.7 | | |
| 104 | T | 32.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -78.3 | 150.3 | 172.1 | 37.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 105 | S | 28.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -86.8 | 138.3 | 175.6 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 106 | C | 28.2 | Very low | 32.8 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -125.6 | 131.1 | 171.3 | -88.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 107 | T | 32.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -94.2 | 116.5 | 179.6 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 108 | K | 32.9 | Very low | 32.6 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -147.4 | 121.8 | 163.7 | -69.8 | -162.8 | 179.4 | -174.5 | 0 | 107.4 | | |
| 109 | T | 30.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | | 55.9 | 113.3 | 76.6 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 110 | E | 30.6 | Very low | 33.8 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | 53 | 116.9 | 153.6 | -58.1 | -173 | 176.3 | 0 | 0 | 119.8 | | |
| 111 | T | 28.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | | | trans | -94.7 | 101.9 | -179.4 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 112 | S | 36.1 | Very low | 35.5 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -89 | 125 | 160.3 | -70.6 | 0 | 0 | 0 | 0 | 110 | T114 | S112-T114 PolarHBondContact O-N 3.36Š|
| 113 | S | 34 | Very low | 36.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | -87.7 | 105.2 | -178.5 | 57 | 0 | 0 | 0 | 0 | 112.4 | | |
| 114 | T | 35 | Very low | 37.3 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 56% | 0.558 | 72% | 0.724 | S | S | * | * | | | trans | -100 | 113.4 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | S112 | S112-T114 PolarHBondContact O-N 3.36Š|
| 115 | T | 34.9 | Very low | 37.8 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | trans | -93 | 129.4 | 171.7 | -54.4 | 0 | 0 | 0 | 0 | 110 | | |
| 116 | K | 43.7 | Very low | 38.7 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 65% | 0.648 | 70% | 0.701 | S | S | * | * | | | trans | -108.7 | 140.8 | 168.5 | -64.4 | -176.4 | -180 | -176.7 | 0 | 108.9 | | |
| 117 | S | 35 | Very low | 39.3 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.1 | 169 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 118 | T | 39.5 | Very low | 39.9 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 52% | 0.515 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.2 | -176.4 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 119 | T | 41.5 | Very low | 40.3 | Very low | 95 Ų | 95 | 113.3 Ų | 113.3 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.5 | 179 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 120 | V | 43 | Very low | 40.9 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.7 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 109 | | |
| 121 | T | 50.3 | Low | 41.3 | Very low | 79 Ų | 79 | 106.6 Ų | 106.6 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | | | trans | -82.8 | 159.4 | 170.2 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | D123 G124 T125 | T121-D123 PolarHBondContact O-N 3.38Å; T121-D123 VanDerWaalsContact O-N 3.13Å; T121-G124 PolarHBondContact O-N 2.65Å; T121-T125 PolarHBondContact OG1-O 2.84Å |
| 122 | K | 48.4 | Very low | 41.7 | Very low | 213 Ų | 213 | 104 Ų | 104 | 93% | 0.926 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | -168.3 | -84 | -172.6 | 172.5 | -177.9 | 0 | 115 | G124 | K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.94Å |
| 123 | D | 48.6 | Very low | 41.8 | Very low | 147 Ų | 147 | 104.3 Ų | 104.3 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 29.4 | -177.4 | -53.2 | -66.7 | 0 | 0 | 0 | 113.1 | T121 T125 | T121-D123 PolarHBondContact O-N 3.38Å; T121-D123 VanDerWaalsContact O-N 3.13Å; D123-T125 PolarHBondContact O-N 3.46Å |
| 124 | G | 49.7 | Very low | 42.1 | Very low | 61 Ų | 61 | 106.8 Ų | 106.8 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 72.3 | -3.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117 | T121 K122 | T121-G124 PolarHBondContact O-N 2.65Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.94Å |
| 125 | T | 43.8 | Very low | 42 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | | | trans | -84.5 | 125.5 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | T121 D123 | T121-T125 PolarHBondContact OG1-O 2.84Å; D123-T125 PolarHBondContact O-N 3.46Å |
| 126 | T | 45.8 | Very low | 41.9 | Very low | 94 Ų | 94 | 108.6 Ų | 108.6 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 98.9 | -178.9 | 55 | 0 | 0 | 0 | 0 | 111.8 | | |
| 127 | E | 42.1 | Very low | 41.3 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 61% | 0.607 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.9 | 171.2 | -65 | -172.2 | 176.8 | 0 | 0 | 111 | | |
| 128 | T | 43.6 | Very low | 41.3 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 52% | 0.521 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 94.3 | -178.4 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | V130 | T128-V130 HydrophobicContact CG2-CG2 4.3Å |
| 129 | T | 42.4 | Very low | 41.1 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 116.5 | -179.5 | -47.9 | 0 | 0 | 0 | 0 | 111 | | |
| 130 | V | 41.9 | Very low | 40.3 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 48% | 0.479 | 67% | 0.673 | S | S | . | * | | | trans | -102.4 | 86.7 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | T128 T132 | T128-V130 HydrophobicContact CG2-CG2 4.3Å; V130-T132 PolarHBondContact O-N 3.3Å |
| 131 | T | 40.2 | Very low | 39.7 | Very low | 93 Ų | 93 | 117 Ų | 117 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | | | trans | -77.3 | 102.3 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | T133 | T131-T133 HydrophobicContact CG2-CG2 4.37Š|
| 132 | T | 36.8 | Very low | 38.9 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | | | trans | -94.2 | 101.2 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | V130 Q134 | V130-T132 PolarHBondContact O-N 3.3Å; T132-Q134 HydrophobicContact CG2-CG 4.24Å; T132-Q134 PolarHBondContact O-N 2.94Å |
| 133 | T | 38.1 | Very low | 38.1 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | trans | -84.3 | 94.4 | 176.2 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | T131 | T131-T133 HydrophobicContact CG2-CG2 4.37Š|
| 134 | Q | 40.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 117.1 Ų | 117.1 | 71% | 0.71 | 69% | 0.688 | S | S | * | * | | | trans | -82.1 | 120.9 | 169.3 | -63.7 | -171.4 | 8.8 | 0 | 0 | 110.7 | T132 V136 | T132-Q134 HydrophobicContact CG2-CG 4.24Å; T132-Q134 PolarHBondContact O-N 2.94Å; Q134-V136 PolarHBondContact O-N 3.31Å; Q134-V136 VanDerWaalsContact O-N 3.13Å |
| 135 | S | 33 | Very low | 36.8 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | | | trans | -85.4 | 77.6 | 175.3 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 136 | V | 31 | Very low | 36.2 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | | | trans | -89.9 | 103.8 | 173 | -78.9 | 0 | 0 | 0 | 0 | 110.7 | Q134 S138 | Q134-V136 PolarHBondContact O-N 3.31Å; Q134-V136 VanDerWaalsContact O-N 3.13Å; V136-S138 PolarHBondContact O-N 3.27Å |
| 137 | K | 32.3 | Very low | 35.6 | Very low | 212 Ų | 212 | 127.6 Ų | 127.6 | 92% | 0.922 | 72% | 0.717 | S | S | * | * | | | trans | -79.4 | 85.4 | 179.5 | -172 | -176.5 | 177.5 | 179.9 | 0 | 111.7 | | |
| 138 | S | 33.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | trans | -124.7 | 142.6 | 165.4 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | V136 | V136-S138 PolarHBondContact O-N 3.27Š|
| 139 | P | 35.7 | Very low | 34.8 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | | | trans | -73.9 | 142 | -175.9 | 30.1 | -35 | 0 | 0 | 0 | 112.4 | T141 | P139-T141 PolarHBondContact O-N 3.38Š|
| 140 | V | 26.3 | Very low | 34.2 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | | | trans | -84.2 | 113.2 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 141 | T | 30.5 | Very low | 33.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -115.9 | 124.9 | 158.5 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | P139 | P139-T141 PolarHBondContact O-N 3.38Š|
| 142 | K | 32.1 | Very low | 33.4 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -68.8 | 136.7 | -175.5 | -59.5 | 176.6 | -178.6 | 178.2 | 0 | 111.4 | | |
| 143 | T | 32.1 | Very low | 33.3 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -116.8 | 150.9 | 159 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | N145 | T143-N145 PolarHBondContact OG1-OD1 3.17Š|
| 144 | P | 39.6 | Very low | 33 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -102.5 | 125.8 | 146.2 | 32.8 | -25.3 | 0 | 0 | 0 | 109 | | |
| 145 | N | 31 | Very low | 32.5 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -80.8 | 140.4 | 179.8 | -69.4 | -4.2 | 0 | 0 | 0 | 111.4 | T143 | T143-N145 PolarHBondContact OG1-OD1 3.17Š|
| 146 | K | 31.8 | Very low | 32.4 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -129 | 129.1 | 140.3 | -80.4 | -165.5 | 174 | -173.5 | 0 | 108.6 | | |
| 147 | T | 32.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -85.5 | 145.1 | 179.2 | -32.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 148 | E | 32.5 | Very low | 32.5 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | | | | -165.2 | 168.8 | 126.1 | -113.7 | 168.7 | -148.6 | 0 | 0 | 112.6 | | |
| 149 | T | 35.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -114.6 | 137.5 | -157.8 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 150 | F | 29.8 | Very low | 32.3 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -155.9 | 168.4 | 142.4 | -149 | -109.3 | 0 | 0 | 0 | 113.7 | | |
| 151 | M | 34.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -106.2 | 172.8 | -175.7 | -58.2 | -169.9 | -168.9 | 0 | 0 | 113.6 | | |
| 152 | E | 31.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 64% | 0.64 | 77% | 0.765 | S | S | * | * | | | trans | 87.6 | 157.5 | 140.1 | -137.6 | -144.8 | 109.2 | 0 | 0 | 120.7 | | |
| 153 | R | 34 | Very low | 32.5 | Very low | 187 Ų | 187 | 148 Ų | 148 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 99.8 | 83.6 | 146.6 | -148.5 | 157.6 | -68.8 | 165.9 | 5.8 | 120.9 | | |
| 154 | V | 32.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | trans | 20.7 | 119.4 | 139.8 | -78.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 155 | K | 31.1 | Very low | 32 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | | 82.3 | 143.3 | 110.5 | -160.5 | -175.5 | -177.8 | 178.4 | 0 | 120.5 | | |
| 156 | S | 30.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | 99.2 | 125.6 | 154.2 | -32.4 | 0 | 0 | 0 | 0 | 120 | | |
| 157 | S | 30 | Very low | 31.9 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 64.7 | 159.3 | 137.2 | -67.8 | 0 | 0 | 0 | 0 | 122 | | |
| 158 | S | 36.2 | Very low | 32.2 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | cis | -178.7 | 167.1 | -27.1 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 159 | K | 33.3 | Very low | 32 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | 78.1 | 130.9 | 163.4 | -65.1 | 173.9 | -179.2 | -176.7 | 0 | 116 | | |
| 160 | D | 30.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | | 71.9 | 135.7 | 58.7 | -55 | -47.7 | 0 | 0 | 0 | 111.9 | | |
| 161 | S | 34.9 | Very low | 31.7 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | cis | -147.5 | -157.8 | 5.2 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 162 | Q | 31.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | cis | -159.9 | -147.5 | 7.1 | -147 | 152.6 | -68.5 | 0 | 0 | 112.6 | | |
| 163 | Y | 28.2 | Very low | 31.3 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -77.9 | 176.9 | -179.2 | -92.9 | -132.8 | 0 | 0 | 0 | 114.4 | | |
| 164 | S | 31.8 | Very low | 31.6 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | cis | -172.8 | 178.3 | 34.5 | -131.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 165 | S | 28.9 | Very low | 31.4 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | | | cis | 177.8 | 168.8 | -30.3 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 166 | Y | 29.3 | Very low | 31.6 | Very low | 214 Ų | 214 | 136.5 Ų | 136.5 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | trans | 82 | 108.2 | 158.8 | -83.5 | -77.8 | 0 | 0 | 0 | 124.4 | | |
| 167 | S | 30.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | 49.6 | 136.2 | 133.2 | -57.6 | 0 | 0 | 0 | 0 | 126.5 | | |
| 168 | P | 40.4 | Very low | 32.2 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | trans | -118.5 | 173.4 | 174.3 | 43.3 | -34.2 | 0 | 0 | 0 | 116.7 | | |
| 169 | T | 27.3 | Very low | 32 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -147.2 | 122.7 | -179.5 | -32.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 170 | K | 30.3 | Very low | 32.1 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | | | trans | 48.7 | 120.2 | 147 | -70.5 | -175.9 | 176 | 178.7 | 0 | 125.9 | | |
| 171 | T | 28.8 | Very low | 31.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | | 74.5 | 130.3 | 118 | -51.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 172 | T | 29 | Very low | 31.9 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | | 176.1 | 159.4 | 118 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 173 | K | 29.9 | Very low | 32 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | -127.6 | 149 | -167.7 | -169.6 | -139.6 | 176.5 | -169.8 | 0 | 114.4 | | |
| 174 | P | 40.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -97.8 | -161 | 162.6 | -6.4 | 28.3 | 0 | 0 | 0 | 115.3 | | |
| 175 | T | 26.8 | Very low | 32.8 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | -131.6 | 165.1 | -168.9 | -47.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 176 | I | 35.3 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | | | trans | -93.9 | 175.4 | 175.2 | -26.8 | 176.8 | 0 | 0 | 0 | 110.4 | | |
| 177 | P | 42.9 | Very low | 33.2 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | | -145.3 | 173.8 | 100.3 | 39.4 | -24.4 | 0 | 0 | 0 | 116.1 | | |
| 178 | T | 30.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -129.6 | 159.6 | -176.8 | -45.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 179 | T | 31.4 | Very low | 33 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | | | trans | -123.8 | 153.3 | 170.2 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 180 | K | 35.8 | Very low | 33.4 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 95% | 0.952 | 77% | 0.774 | S | S | * | * | | | trans | -155.1 | 158.1 | -176.7 | -106 | -164.3 | 175.1 | -166.9 | 0 | 112.3 | | |
| 181 | G | 26.3 | Very low | 33.5 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 155.2 | 123.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 182 | A | 35.9 | Very low | 33.7 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | cis | 73.2 | 141.3 | 17 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 183 | E | 33.2 | Very low | 34.1 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | cis | -152.8 | 164 | 17.2 | -64 | 177 | 176.9 | 0 | 0 | 108 | | |
| 184 | D | 36.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | cis | -157.4 | -143.8 | -18.1 | -138.9 | 57.5 | 0 | 0 | 0 | 107.9 | | |
| 185 | Q | 40.1 | Very low | 34.8 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | | | cis | -164.6 | -165.7 | 1.7 | -135 | -46.6 | -73.5 | 0 | 0 | 109.1 | | |
| 186 | L | 34.5 | Very low | 35 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 89.8 | 96.5 | 157.6 | -59.3 | -171.9 | 0 | 0 | 0 | 123.6 | | |
| 187 | Y | 31.4 | Very low | 34.9 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | | 68.3 | 92.3 | 126.1 | -94.3 | -98.9 | 0 | 0 | 0 | 124.7 | | |
| 188 | N | 33.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | | 53.6 | 133.8 | 111.4 | -85.3 | -23.4 | 0 | 0 | 0 | 125.2 | | |
| 189 | S | 33.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | 76.4 | 109.2 | 137 | -61.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 190 | L | 35.3 | Very low | 35.6 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | | -177.9 | 171 | 101.2 | -99.3 | 151.5 | 0 | 0 | 0 | 112.4 | | |
| 191 | T | 32.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -136.6 | 165.4 | -167.7 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 192 | Q | 33.2 | Very low | 35.5 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | 71 | 153.3 | 167.4 | -65.6 | -178.3 | 26.8 | 0 | 0 | 116.4 | | |
| 193 | S | 38.2 | Very low | 35.2 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | cis | -156.6 | 171 | -2 | -116.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 194 | P | 51.4 | Low | 35.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -99.2 | 161.9 | -173 | 38.3 | -35.6 | 0 | 0 | 0 | 116.1 | | |
| 195 | V | 32.3 | Very low | 34.8 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -138.6 | 103.8 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 196 | K | 31.6 | Very low | 34.3 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | | 71.2 | 134.8 | 88.5 | -75.3 | -170.7 | 175.4 | -175.7 | 0 | 115.6 | | |
| 197 | N | 32.6 | Very low | 34 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -77.2 | 159.4 | 174.1 | -42.9 | -70.3 | 0 | 0 | 0 | 111.3 | | |
| 198 | D | 30 | Very low | 34 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | | -162.2 | 169.5 | 121.5 | -103 | -34.9 | 0 | 0 | 0 | 111.8 | | |
| 199 | S | 35.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -142.5 | -174.9 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 200 | P | 53.9 | Low | 33.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | cis | -127.8 | 171.3 | -19.4 | 39.6 | -26.3 | 0 | 0 | 0 | 113.1 | | |
| 201 | T | 29.7 | Very low | 33.3 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -164.2 | 127.6 | 140.7 | 18.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 202 | K | 31.4 | Very low | 33.2 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 40.3 | 141.5 | 131.1 | -111.1 | 179 | 153.8 | -74.2 | 0 | 124.1 | | |
| 203 | D | 29.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | | | trans | 81.7 | 134.7 | 144.9 | -61.7 | -33.2 | 0 | 0 | 0 | 122.8 | | |
| 204 | S | 32.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 67.2 | 98.5 | 145 | -167.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 205 | K | 30 | Very low | 31.4 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | | 36.1 | 120.7 | 115.9 | 176.2 | -166 | 174.7 | -173.9 | 0 | 118.4 | | |
| 206 | T | 28.9 | Very low | 31.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | | -165.5 | 144.9 | 122 | -79.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 207 | T | 28.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -93.8 | 142.8 | 176.4 | 18.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 208 | V | 30.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -140.5 | 135.8 | 145.6 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 209 | T | 27 | Very low | 32 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | -120.7 | 140.4 | 171 | -51.1 | 0 | 0 | 0 | 0 | 108 | T211 | T209-T211 HydrophobicContact CG2-CG2 4.3Š|
| 210 | T | 29.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -127.7 | 133.3 | 170.1 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 211 | T | 31.9 | Very low | 31.3 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -136.1 | 143 | -177.4 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | T209 | T209-T211 HydrophobicContact CG2-CG2 4.3Š|
| 212 | E | 31.1 | Very low | 31.7 | Very low | 194 Ų | 194 | 129.8 Ų | 129.8 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | | | trans | -129.4 | 157.4 | 164.3 | -75 | -157.9 | 128.7 | 0 | 0 | 112 | | |
| 213 | T | 26.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | -154.2 | 171.1 | -161.7 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 214 | V | 28.1 | Very low | 32.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -117 | -110.2 | 12.9 | -165.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 215 | T | 28.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | cis | -147.5 | 140.6 | 1.9 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 216 | V | 36.4 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -139.9 | 150.9 | -165.6 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 217 | K | 31.2 | Very low | 33.8 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | | | trans | -157.9 | 103 | 152.5 | -135.4 | 128.8 | -175 | 172.5 | 0 | 109.5 | | |
| 218 | S | 37 | Very low | 34.3 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | | 85.9 | 146.1 | 74.2 | 78.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 219 | S | 34.2 | Very low | 34.4 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -131.6 | -145 | 2.6 | 49 | 0 | 0 | 0 | 0 | 108.9 | | |
| 220 | S | 40 | Very low | 34.6 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | cis | -174.2 | 166.1 | -1.8 | 20.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 221 | D | 34.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | cis | 179.3 | 145.8 | -29.6 | -93.8 | -51.4 | 0 | 0 | 0 | 105.8 | | |
| 222 | A | 39.6 | Very low | 35.2 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | | | cis | -154 | -124.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 223 | K | 38.4 | Very low | 35.5 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | 66.1 | 83.5 | -179.3 | -55.4 | -68.8 | -175.2 | 176.6 | 0 | 113.4 | | |
| 224 | A | 37.9 | Very low | 36.3 | Very low | 76 Ų | 76 | 138 Ų | 138 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | | | | 62.9 | 99.7 | 78 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 225 | E | 37.3 | Very low | 36.8 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | | 85.1 | 142.2 | 94.3 | -76.9 | 168.2 | -124.8 | 0 | 0 | 112.4 | | |
| 226 | D | 38.8 | Very low | 37.2 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | cis | -135 | -173 | 20.2 | -163.4 | 12.3 | 0 | 0 | 0 | 113.7 | | |
| 227 | K | 43.7 | Very low | 37.2 | Very low | 160 Ų | 160 | 141 Ų | 141 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | 160.6 | -167.8 | -51.8 | 150.6 | -160.7 | 92.8 | 0 | 112.9 | | |
| 228 | L | 37.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | | -170.4 | 158 | 76.4 | -152.7 | 71.7 | 0 | 0 | 0 | 112.8 | | |
| 229 | Y | 32.7 | Very low | 37.1 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -74.7 | 169.9 | 161.3 | -79.7 | -112.4 | 0 | 0 | 0 | 109.7 | | |
| 230 | D | 32 | Very low | 37.4 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | cis | -165.2 | -167 | 30.6 | -151.9 | -19.7 | 0 | 0 | 0 | 111.7 | | |
| 231 | S | 36.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 84 | 86 | 162.5 | -54.1 | 0 | 0 | 0 | 0 | 118 | | |
| 232 | L | 36.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -130.1 | 91.6 | 157.8 | -75.1 | 178.6 | 0 | 0 | 0 | 111.7 | | |
| 233 | L | 38.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -137.1 | 150.2 | 153.4 | -80.3 | -178.2 | 0 | 0 | 0 | 109.5 | | |
| 234 | P | 42.6 | Very low | 36.3 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | trans | -100.7 | 154.8 | -154.2 | 37.6 | -36.4 | 0 | 0 | 0 | 115.9 | | |
| 235 | D | 39.1 | Very low | 35.9 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -69.7 | 144.5 | 166.1 | -78.4 | -52.8 | 0 | 0 | 0 | 112.8 | I237 | D235-I237 PolarHBondContact O-N 3.1Š|
| 236 | P | 36.6 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -82.3 | 100 | 178.4 | 32.3 | -33.9 | 0 | 0 | 0 | 112.3 | K238 | P236-K238 PolarHBondContact O-N 3.1Š|
| 237 | I | 36.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 141 Ų | 141 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | -66.8 | 113 | 174.1 | -60.3 | 176.9 | 0 | 0 | 0 | 110.5 | D235 | D235-I237 PolarHBondContact O-N 3.1Š|
| 238 | K | 35.3 | Very low | 34.1 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 145 | 161.5 | -86.4 | -176.1 | 174.2 | 178.4 | 0 | 110.7 | P236 | P236-K238 PolarHBondContact O-N 3.1Š|
| 239 | S | 31.6 | Very low | 33.5 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.3 | 174 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 240 | P | 39.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 120.2 | 172.5 | 33 | -31 | 0 | 0 | 0 | 111.6 | | |
| 241 | D | 34.3 | Very low | 33 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 143.9 | 160.5 | -88.5 | -54.7 | 0 | 0 | 0 | 110.3 | | |
| 242 | S | 33.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 131.3 | -173.2 | 64 | 0 | 0 | 0 | 0 | 113.5 | | |
| 243 | S | 32.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -157.8 | 120.9 | 147.4 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 244 | T | 29.9 | Very low | 31.5 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | 50 | 89.8 | 130.6 | -42.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 245 | T | 28.9 | Very low | 30.7 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | | 22.5 | 119.2 | 121.5 | -42.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 246 | S | 29.3 | Very low | 30.2 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -163.6 | 84.4 | 142.4 | -87.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 247 | T | 25.4 | Very low | 29.7 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | trans | 16.8 | 143.4 | 144.8 | 63.8 | 0 | 0 | 0 | 0 | 124.5 | | |
| 248 | K | 27.5 | Very low | 29.3 | Very low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 90.1 | 113.7 | 143.1 | -73.2 | 153 | -177.1 | 168.7 | 0 | 120.8 | | |
| 249 | T | 25.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -140.7 | 161 | 136.5 | -75.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 250 | K | 28.2 | Very low | 29.1 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -148.8 | 84 | -145.5 | -169.4 | 179.9 | -179.6 | -176.4 | 0 | 116.1 | | |
| 251 | T | 25.6 | Very low | 28.9 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | -132.1 | 115.4 | 177.8 | -26.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 252 | K | 28.6 | Very low | 28.8 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | cis | 86.6 | 135.7 | 31.3 | -154.1 | -177.6 | -172.5 | -173.6 | 0 | 113.1 | | |
| 253 | T | 25.2 | Very low | 28.9 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 100.8 | 140.1 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 254 | K | 26.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | cis | -173.2 | 146 | -30.4 | -141 | -160.2 | 179.7 | 179.8 | 0 | 111.6 | | |
| 255 | T | 25.4 | Very low | 29 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | 61.7 | 100.4 | 143.7 | -56 | 0 | 0 | 0 | 0 | 124.2 | | |
| 256 | K | 29 | Very low | 29 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | | 56.3 | 110.1 | 115.9 | -169.2 | -170.5 | 179.6 | 179.2 | 0 | 124 | | |
| 257 | K | 25.8 | Very low | 29.1 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | | -168.2 | 133.6 | 119.2 | -108.3 | -164.4 | 171.3 | -168.4 | 0 | 108.6 | | |
| 258 | V | 29.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | | 55.9 | 118.5 | 91.9 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 259 | D | 29.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | cis | -135.4 | 179.2 | 42.8 | -131.7 | -55.3 | 0 | 0 | 0 | 117.6 | | |
| 260 | S | 32 | Very low | 30 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | -44.2 | 152.4 | 172.5 | -45.6 | 0 | 0 | 0 | 0 | 114 | | |
| 261 | S | 35.6 | Very low | 30.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | cis | -171.6 | 164.7 | 10.7 | 21.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 262 | S | 32.9 | Very low | 30.7 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | cis | -165.2 | -150.5 | -3.7 | 42.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 263 | E | 34.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | cis | -153.1 | -88.2 | 2.8 | -153.7 | 137.2 | 100.8 | 0 | 0 | 113.8 | | |
| 264 | T | 31.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -157.2 | 156.9 | -155.3 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 265 | V | 32.1 | Very low | 31.9 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | | | cis | -160.3 | 155.2 | -0.8 | 122.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 266 | T | 30 | Very low | 32.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | cis | 146.1 | 72.3 | 45.3 | 36.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 267 | A | 31.3 | Very low | 32.9 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | trans | 67.8 | -179.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 268 | K | 28.9 | Very low | 33.7 | Very low | 192 Ų | 192 | 125.8 Ų | 125.8 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | | | cis | -152.7 | 158.5 | 13.3 | -158.8 | 169.4 | 179.4 | 179.6 | 0 | 115.4 | | |
| 269 | S | 33 | Very low | 34.1 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -65.9 | -179.1 | 165.2 | 55.5 | 0 | 0 | 0 | 0 | 113 | | |
| 270 | S | 34.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | cis | -154.6 | -163.3 | 23.9 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 271 | S | 35.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | cis | -159.3 | 173.6 | 9.3 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 272 | D | 33.8 | Very low | 34.4 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | -35 | 169.5 | 153.6 | -43.9 | -78.2 | 0 | 0 | 0 | 117.2 | | |
| 273 | A | 37.5 | Very low | 34.5 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | cis | -179.2 | -179.7 | -24.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 274 | I | 33.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | 75.2 | 119.4 | 163.2 | -50.5 | 168.2 | 0 | 0 | 0 | 118.6 | | |
| 275 | A | 35 | Very low | 35.5 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -178.1 | 157.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 276 | E | 37.5 | Very low | 35.8 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -127.8 | 165.5 | 179.7 | -62.6 | -172.6 | 145.7 | 0 | 0 | 113.1 | | |
| 277 | D | 37.2 | Very low | 36 | Very low | 126 Ų | 126 | 134 Ų | 134 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | 91 | 111.6 | 140.8 | -139.4 | 29.1 | 0 | 0 | 0 | 122.3 | | |
| 278 | K | 41.9 | Very low | 36.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | | | trans | 60.9 | 165.9 | 158.8 | -32.5 | -161.4 | -172.2 | -177.8 | 0 | 117.1 | | |
| 279 | L | 37.3 | Very low | 36.7 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | cis | -158.5 | 165.8 | 26.6 | -167.4 | 66.8 | 0 | 0 | 0 | 112.3 | | |
| 280 | Y | 32.2 | Very low | 36.7 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -21.8 | 149.9 | -179.8 | -74.5 | -79.1 | 0 | 0 | 0 | 124.7 | | |
| 281 | D | 31.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | 23 | 131.8 | 143.6 | -71.1 | -51.6 | 0 | 0 | 0 | 122.2 | | |
| 282 | T | 40.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | | -145.1 | 143.3 | 125.1 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 283 | L | 35.7 | Very low | 36.4 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | -95.8 | 153.3 | -174.7 | -79.9 | 166.2 | 0 | 0 | 0 | 113.8 | | |
| 284 | I | 40.7 | Very low | 36.5 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | 73.7 | 135.4 | 152.5 | -71.4 | 160.7 | 0 | 0 | 0 | 117.5 | | |
| 285 | P | 45.9 | Very low | 36.5 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -86.1 | 146.9 | 177.4 | 34.8 | -35.4 | 0 | 0 | 0 | 113.1 | | |
| 286 | S | 38.5 | Very low | 36.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | | | trans | -108.6 | 133.2 | 165.6 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 287 | A | 34.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -109.6 | -168.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 288 | I | 36.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 66.2 | 118.8 | 168 | -12.4 | 180 | 0 | 0 | 0 | 112.7 | | |
| 289 | K | 38.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | | -170.1 | 152.4 | 76 | -89.2 | -172.9 | 168 | -155.2 | 0 | 115.1 | | |
| 290 | D | 31.9 | Very low | 34.4 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | | 33.6 | 133.2 | 127.9 | -34.7 | -25 | 0 | 0 | 0 | 118.3 | | |
| 291 | G | 28.7 | Very low | 34.3 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | cis | 167.5 | -162.7 | 4.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 292 | D | 34.3 | Very low | 34.4 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 59.9 | 101.4 | 168.6 | -88.7 | -57.4 | 0 | 0 | 0 | 122 | | |
| 293 | S | 35.5 | Very low | 34.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | | 52.9 | 102.5 | 109.8 | -51.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 294 | K | 40.1 | Very low | 34.3 | Very low | 219 Ų | 219 | 131.7 Ų | 131.7 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | | | | -157.9 | 145.1 | 127.8 | -108.8 | 143.3 | -168 | 169 | 0 | 115.4 | | |
| 295 | K | 32.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -104 | 127 | -177.1 | 147.4 | -144.9 | 174 | -175.3 | 0 | 108.7 | | |
| 296 | T | 29.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -178.4 | 113.2 | 138 | 27.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 297 | T | 28.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | | 13.4 | 149.7 | 124.5 | -23.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 298 | V | 31.1 | Very low | 32.3 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | 112.8 | 143 | 149.8 | -173.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 299 | S | 27.9 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -86.7 | 159.5 | -161.3 | -34.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 300 | S | 28.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | | 81.7 | 151.9 | 129.4 | -163.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 301 | S | 29.6 | Very low | 32 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 64.1 | 146 | 163 | 34.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 302 | E | 34.5 | Very low | 32.3 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | cis | -179.1 | -170 | -19.4 | -125.2 | -170.2 | -154 | 0 | 0 | 105.5 | | |
| 303 | P | 45.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | cis | -125.9 | -168.6 | -24.6 | 39.2 | -22.9 | 0 | 0 | 0 | 112.1 | | |
| 304 | V | 27.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -175.3 | 121.4 | 130.1 | 140.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 305 | T | 27.6 | Very low | 33 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 61.3 | 116.4 | 155.5 | 58.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 306 | V | 28.9 | Very low | 33 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | | 72.3 | 128.8 | 122.9 | 176.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 307 | K | 31.1 | Very low | 33 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | cis | -160.9 | 153.7 | 42.7 | -152.2 | 159.8 | -178.2 | 176.8 | 0 | 113.5 | | |
| 308 | S | 30.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 33.3 | 148.1 | 148.2 | -69 | 0 | 0 | 0 | 0 | 123.3 | | |
| 309 | S | 33.2 | Very low | 34 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | cis | -173.8 | 157.9 | -7 | -92.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 310 | N | 34.6 | Very low | 34.1 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | 69.5 | 123.8 | 166.6 | -51.9 | -9.7 | 0 | 0 | 0 | 115.6 | | |
| 311 | T | 32.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | | 62.4 | 129.8 | 59 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 312 | V | 35.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | cis | -153.9 | 162.1 | 41 | 163.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 313 | D | 33.1 | Very low | 34.3 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 80.3 | 140.8 | 161.5 | -75.2 | -21.5 | 0 | 0 | 0 | 123.8 | | |
| 314 | D | 36.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | -131 | -167.9 | -175.9 | -148.8 | 5.6 | 0 | 0 | 0 | 105 | | |
| 315 | P | 56.1 | Low | 33.7 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | cis | -137.1 | -161.5 | -11.6 | 36.1 | -13.2 | 0 | 0 | 0 | 114.5 | | |
| 316 | K | 31 | Very low | 33.7 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | 100.8 | 129.2 | 139.6 | -153 | 168.1 | -169.8 | 172.1 | 0 | 117 | | |
| 317 | T | 30.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | cis | -167.1 | 152 | -16 | -103.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 318 | T | 32.8 | Very low | 33.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | -84.2 | 175.9 | 171.8 | 59.4 | 0 | 0 | 0 | 0 | 112 | | |
| 319 | P | 48.3 | Very low | 34 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | | -159.7 | 162.3 | 95 | 41 | -21.3 | 0 | 0 | 0 | 118.6 | | |
| 320 | T | 29.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | 60.7 | 115.7 | 144.9 | 47.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 321 | K | 35.7 | Very low | 34.9 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | | 84.3 | 135.7 | 72.1 | -84.4 | -170.9 | -172.5 | 176.9 | 0 | 113.8 | | |
| 322 | T | 28.4 | Very low | 35.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | cis | -131 | -121.4 | -4.4 | -34.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 323 | V | 32.3 | Very low | 35.5 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | cis | -153.3 | 167.5 | 1.8 | -145.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 324 | T | 27.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -102.8 | 171.5 | 174.9 | 12.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 325 | V | 32.1 | Very low | 36 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | cis | -158.9 | 152.1 | 34.6 | -139.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 326 | K | 28.9 | Very low | 34.9 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | 84.1 | 106.3 | 136 | -147 | 164 | -171 | 177.1 | 0 | 123.4 | | |
| 327 | S | 30.1 | Very low | 35 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 59.6 | 135.2 | 135.6 | -52.4 | 0 | 0 | 0 | 0 | 120 | | |
| 328 | S | 30.1 | Very low | 35.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | cis | -175.2 | 179 | 39.7 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 329 | S | 36.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 71.6 | 165.4 | 168 | 72.3 | 0 | 0 | 0 | 0 | 118 | | |
| 330 | T | 37.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -133.1 | -175.1 | -165.3 | 71.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 331 | P | 49.3 | Very low | 36 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -112.3 | 160.6 | -123.5 | 38 | -21.9 | 0 | 0 | 0 | 115.9 | | |
| 332 | T | 39.6 | Very low | 36.2 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -135.5 | 154.8 | 155.6 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 333 | D | 40 | Very low | 36.5 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -117.7 | 96.3 | -170.5 | -177.1 | 14.9 | 0 | 0 | 0 | 109 | | |
| 334 | D | 39 | Very low | 36.7 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | -112.4 | 85.8 | -177.4 | -81.5 | -52.6 | 0 | 0 | 0 | 110.5 | Y336 | D334-Y336 PolarHBondContact O-N 2.87Š|
| 335 | L | 42.3 | Very low | 36.9 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -95.1 | 83.3 | 175.1 | -167.4 | 80.8 | 0 | 0 | 0 | 111.2 | | |
| 336 | Y | 31.9 | Very low | 37.1 | Very low | 223 Ų | 223 | 140 Ų | 140 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -132.9 | 122.1 | 169.2 | -108.4 | -85.9 | 0 | 0 | 0 | 115 | D334 | D334-Y336 PolarHBondContact O-N 2.87Š|
| 337 | D | 32.2 | Very low | 38 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | 77.2 | 149.2 | 145.2 | -127.5 | -26.1 | 0 | 0 | 0 | 122.8 | | |
| 338 | T | 40.6 | Very low | 38 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | 55.2 | 115.1 | 166.2 | 53.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 339 | L | 35.5 | Very low | 38 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | | -164.6 | 133.7 | 100.8 | -96.2 | 177.4 | 0 | 0 | 0 | 112.2 | | |
| 340 | L | 43.2 | Very low | 37.9 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -84.2 | 156.4 | 171.9 | -94.7 | 155.8 | 0 | 0 | 0 | 109.9 | | |
| 341 | P | 43.8 | Very low | 37.9 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | | -158.5 | 149 | 69.7 | 40.3 | -18.4 | 0 | 0 | 0 | 121.1 | | |
| 342 | K | 40.3 | Very low | 37.3 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | 35.8 | 143.7 | 136 | -64.5 | -178.7 | 175.7 | 177.4 | 0 | 123.9 | | |
| 343 | A | 34.1 | Very low | 37 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 76.4 | 159.5 | 163 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 344 | I | 36 | Very low | 36.8 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | cis | -150.1 | 154.5 | 21.2 | -16.9 | 175.3 | 0 | 0 | 0 | 112.7 | | |
| 345 | T | 32.8 | Very low | 36.9 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | trans | 63.5 | 146.5 | 153.4 | 38.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 346 | S | 34.5 | Very low | 36.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -82.1 | 174.7 | 176.4 | -31.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 347 | P | 47.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | -152.1 | 146.1 | 71.3 | 38.9 | -18.1 | 0 | 0 | 0 | 119.8 | | |
| 348 | V | 30.6 | Very low | 36.9 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | 21.4 | 128.9 | 132 | -179.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 349 | S | 31 | Very low | 36.6 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | | -160.7 | 146.2 | 128.9 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 350 | S | 34.7 | Very low | 36.4 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 54.2 | 102.5 | 161.1 | -54.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 351 | S | 36.6 | Very low | 36 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | cis | 74.7 | 102 | 41.7 | -50.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 352 | K | 35.8 | Very low | 35.5 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | | -176.7 | 121.1 | 127.8 | -103.4 | 166.3 | -175.8 | 178.7 | 0 | 113.6 | | |
| 353 | T | 33.7 | Very low | 35.1 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 42.3 | 135.8 | 135 | 61.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 354 | V | 37.4 | Very low | 35.1 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | cis | -146.6 | 148.7 | 29.6 | -177 | 0 | 0 | 0 | 0 | 112.4 | | |
| 355 | K | 41 | Very low | 34.9 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -25.8 | 168.7 | 152.8 | -58.2 | -173.1 | 177.5 | -173.1 | 0 | 118.2 | | |
| 356 | D | 33.8 | Very low | 35 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | cis | -172.1 | 152.7 | -23.2 | -89.4 | -31.5 | 0 | 0 | 0 | 106.3 | | |
| 357 | I | 37.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -178.4 | 135.7 | 135.5 | -96.8 | 156.6 | 0 | 0 | 0 | 108.7 | | |
| 358 | I | 34.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -106.6 | 124 | -177.4 | -60 | 168.7 | 0 | 0 | 0 | 109.5 | V360 | I358-V360 HydrophobicContact CG2-CG2 4.21Š|
| 359 | T | 33.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -137.8 | 99.6 | 153.5 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 360 | V | 32.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -81.2 | 125.5 | 168.7 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | I358 T362 | I358-V360 HydrophobicContact CG2-CG2 4.21Å; V360-T362 HydrophobicContact CG1-CG2 4.28Å |
| 361 | N | 34.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | | | trans | -141.2 | 113.9 | 160.3 | -122.1 | -15.2 | 0 | 0 | 0 | 108.9 | | |
| 362 | T | 32.4 | Very low | 34.6 | Very low | 119 Ų | 119 | 149 Ų | 149 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | trans | -81.8 | 132.2 | -172.3 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | V360 | V360-T362 HydrophobicContact CG1-CG2 4.28Š|
| 363 | K | 33.4 | Very low | 34.2 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -156.2 | 148.6 | 156.2 | -101.1 | 140 | -172.6 | -179.7 | 0 | 108.6 | | |
| 364 | K | 33.9 | Very low | 33.9 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -71.6 | 146.6 | 172.2 | -62.8 | 177.3 | 174.7 | -177.2 | 0 | 109.2 | | |
| 365 | E | 31.8 | Very low | 33.7 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | | -179 | 148.9 | 107.6 | -96 | 152.8 | -149.5 | 0 | 0 | 109.8 | | |
| 366 | D | 34.9 | Very low | 33.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -90.3 | 110.1 | -173.9 | -64.4 | -77.2 | 0 | 0 | 0 | 110.9 | | |
| 367 | E | 31.1 | Very low | 33 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -137.9 | 138.7 | 171 | -92.3 | -69.4 | 136.7 | 0 | 0 | 109.9 | | |
| 368 | T | 37 | Very low | 32.8 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -121.6 | 148.2 | 171.4 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | S370 | T368-S370 PolarHBondContact O-N 3.26Š|
| 369 | P | 37.7 | Very low | 32.5 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 123 | -153.6 | -19.1 | 33.6 | 0 | 0 | 0 | 114.1 | | |
| 370 | S | 29.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124.3 | 165.5 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | T368 | T368-S370 PolarHBondContact O-N 3.26Š|
| 371 | T | 32.2 | Very low | 32.1 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 124.7 | 163.9 | 36.5 | 0 | 0 | 0 | 0 | 110 | | |
| 372 | P | 37.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 134 | -170 | 31.8 | -34.8 | 0 | 0 | 0 | 112.9 | | |
| 373 | S | 27.5 | Very low | 32.1 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -138.4 | 104.2 | 157.3 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 374 | S | 29.2 | Very low | 32.6 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -133.9 | 85.5 | -174.7 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | R376 | S374-R376 PolarHBondContact O-N 3.14Å; S374-R376 VanDerWaalsContact O-N 3.13Å |
| 375 | T | 31.7 | Very low | 32.4 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -84 | 83.2 | 173.9 | -42.6 | 0 | 0 | 0 | 0 | 109.2 | S377 | T375-S377 PolarHBondContact O-N 3.15Š|
| 376 | R | 31.8 | Very low | 32.2 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -59.7 | 120.5 | 179.8 | 176.4 | -178.4 | 170.4 | -155.2 | -1.2 | 111.5 | S374 | S374-R376 PolarHBondContact O-N 3.14Å; S374-R376 VanDerWaalsContact O-N 3.13Å |
| 377 | S | 28.8 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -76.8 | 147 | 171.9 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | T375 | T375-S377 PolarHBondContact O-N 3.15Š|
| 378 | V | 33 | Very low | 32.9 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -145.7 | 135.2 | 166.6 | -139.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 379 | S | 29.2 | Very low | 32.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -115.4 | 141.9 | -174.8 | -45.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 380 | Y | 28.3 | Very low | 32.4 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -153.6 | 178.1 | 141.8 | -156.1 | -111.1 | 0 | 0 | 0 | 112.2 | | |
| 381 | S | 29.2 | Very low | 33 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | trans | -102.5 | 166.3 | -148.6 | -56.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 382 | S | 35.9 | Very low | 32.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -67.6 | 166.1 | 169 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 383 | N | 30.5 | Very low | 32.4 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -135.3 | 155.5 | 140.4 | -76.2 | -57.5 | 0 | 0 | 0 | 109.3 | | |
| 384 | I | 43.1 | Very low | 32.5 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -143.4 | 128.7 | 176.6 | -61.5 | 174 | 0 | 0 | 0 | 107.6 | | |
| 385 | D | 29.8 | Very low | 32.6 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -143 | 146.6 | 161.2 | -59.2 | -69.8 | 0 | 0 | 0 | 105.4 | | |
| 386 | D | 29 | Very low | 32.5 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | cis | -149.9 | -179.3 | -1.5 | -150 | -24.1 | 0 | 0 | 0 | 110.1 | | |
| 387 | T | 35.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | -119.9 | 167 | 176.1 | -17.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 388 | P | 45.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | | -162.8 | 173.1 | 79.8 | 44.9 | -23.7 | 0 | 0 | 0 | 120 | | |
| 389 | Y | 30.6 | Very low | 32.8 | Very low | 227 Ų | 227 | 136.2 Ų | 136.2 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | trans | 74.8 | 147.2 | 155.3 | -75.3 | -63.5 | 0 | 0 | 0 | 123.1 | | |
| 390 | S | 32.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -123.9 | 177.2 | -170.3 | -42.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 391 | P | 42.3 | Very low | 33.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | | -157.9 | 149.3 | 87.3 | 40 | -20.6 | 0 | 0 | 0 | 118.2 | | |
| 392 | T | 27.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | 57.7 | 159.1 | 144.5 | 58.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 393 | S | 30 | Very low | 33.3 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | cis | -141.3 | 172.9 | 0.5 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 394 | S | 29.2 | Very low | 33.4 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -79.6 | 149.3 | 169.3 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 395 | Y | 31.8 | Very low | 33 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | | 170 | 115.5 | 123.6 | -154.9 | -119 | 0 | 0 | 0 | 109.2 | | |
| 396 | S | 29.6 | Very low | 33.5 | Very low | 82 Ų | 82 | 145 Ų | 145 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | | | | 48.1 | 109.6 | 101.4 | -147.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 397 | S | 31.4 | Very low | 34 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | -110.4 | 94.4 | 178.7 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 398 | D | 31.5 | Very low | 33.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | | | trans | -76.1 | 162.2 | 171.9 | -91.4 | -62.5 | 0 | 0 | 0 | 113 | | |
| 399 | Y | 36.4 | Very low | 33.2 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -66.4 | 136.1 | 179.9 | 53.9 | -80.7 | 0 | 0 | 0 | 112.6 | | |
| 400 | K | 31.7 | Very low | 33.4 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -162.2 | 138.4 | 143.9 | -121.1 | 167.3 | -174.7 | 172.9 | 0 | 114.1 | | |
| 401 | S | 33.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -84.4 | 143.4 | 167.9 | 53 | 0 | 0 | 0 | 0 | 111.2 | | |
| 402 | Y | 31.2 | Very low | 33.1 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -148.6 | 144.5 | 152.5 | -108.7 | -76.4 | 0 | 0 | 0 | 111.6 | | |
| 403 | S | 38.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 152.1 Ų | 152.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -93.5 | 146.7 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 111 | | |
| 404 | Y | 32 | Very low | 33.3 | Very low | 217 Ų | 217 | 150.3 Ų | 150.3 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -133.4 | 153.3 | 164.5 | -87.1 | -78.1 | 0 | 0 | 0 | 112.8 | | |
| 405 | S | 35.1 | Very low | 33.4 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 170.5 | -164 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 406 | R | 39.5 | Very low | 33.3 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.4 | 167.6 | -62.6 | 177.3 | 174.9 | -172.6 | -2.9 | 111.4 | | |
| 407 | P | 40.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.6 | 156.2 | 33.8 | -32.5 | 0 | 0 | 0 | 110.8 | | |
| 408 | D | 29.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 157.7 | 163.6 | -175.7 | 19.3 | 0 | 0 | 0 | 109.3 | | |
| 409 | S | 33.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -151 | 92.6 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 410 | S | 34 | Very low | 33.7 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -75.9 | 143.4 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 411 | Y | 36.9 | Very low | 33.6 | Very low | 216 Ų | 216 | 146 Ų | 146 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -137.2 | 126.9 | 151 | 57.9 | -92 | 0 | 0 | 0 | 108.3 | | |
| 412 | E | 30.8 | Very low | 33.6 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 144.6 | 171.5 | -72.6 | -165.1 | 124.3 | 0 | 0 | 110.6 | | |
| 413 | Y | 29.9 | Very low | 33.5 | Very low | 221 Ų | 221 | 147 Ų | 147 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -144.2 | 114.6 | 147.8 | -165.2 | -87.7 | 0 | 0 | 0 | 108.3 | | |
| 414 | S | 32.6 | Very low | 33.2 | Very low | 76 Ų | 76 | 147 Ų | 147 | 53% | 0.531 | 79% | 0.786 | S | S | . | * | | | trans | -106.3 | 137.9 | -160.1 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 415 | S | 31.1 | Very low | 33.3 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | trans | 71.8 | 148.2 | 171.2 | -52.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 416 | L | 30.6 | Very low | 33.3 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | cis | -143.1 | 159.5 | 38.3 | -74.6 | 158.1 | 0 | 0 | 0 | 114.9 | | |
| 417 | N | 30 | Very low | 32.9 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | 57.9 | 113.9 | 158.8 | -71.1 | 25.6 | 0 | 0 | 0 | 121.5 | | |
| 418 | S | 32.1 | Very low | 32.8 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -120.1 | 149.5 | 141.8 | -69.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 419 | P | 41.3 | Very low | 32.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -138 | -166.1 | 65.2 | 43.4 | -25.2 | 0 | 0 | 0 | 111.8 | | |
| 420 | S | 33 | Very low | 32.7 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -156.7 | 147 | 15.3 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 421 | L | 30.2 | Very low | 32.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | | | trans | 22.6 | 111.9 | 138.7 | -58.3 | 169.8 | 0 | 0 | 0 | 119.6 | | |
| 422 | Y | 32.7 | Very low | 33.2 | Very low | 237 Ų | 237 | 139.6 Ų | 139.6 | 93% | 0.929 | 77% | 0.772 | S | S | * | * | | | | -141.4 | 164.8 | 128.2 | -153 | -100.2 | 0 | 0 | 0 | 110.2 | | |
| 423 | S | 29.8 | Very low | 33.7 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 151.5 | -155.7 | -164.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 424 | S | 31.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 55.8 | 112.9 | 151.2 | -58.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 425 | T | 34.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | | 172 | 159.4 | 117.4 | 32 | 0 | 0 | 0 | 0 | 110.7 | | |
| 426 | S | 34.1 | Very low | 35 | Very low | 66 Ų | 66 | 138 Ų | 138 | 46% | 0.462 | 78% | 0.777 | S | S | . | * | | | cis | -174.9 | 138.2 | -43.4 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 427 | Y | 30.9 | Very low | 35.7 | Very low | 211 Ų | 211 | 139 Ų | 139 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | 46.9 | 108.3 | 167.6 | 3.5 | -92.2 | 0 | 0 | 0 | 119.1 | | |
| 428 | K | 38.7 | Very low | 36.3 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | | | | -177 | 152.8 | 102.5 | -99.6 | 175.5 | -179.7 | -178 | 0 | 112.9 | | |
| 429 | S | 30.5 | Very low | 36.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -98 | -177.7 | 172.5 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 430 | S | 30.8 | Very low | 37 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 86.6 | 120.9 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 431 | S | 36.1 | Very low | 37.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | 82.5 | 129.8 | 26.5 | -157.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 432 | L | 44.8 | Very low | 38 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | 65.5 | 115.9 | 175.4 | -55.2 | -178.8 | 0 | 0 | 0 | 118.5 | | |
| 433 | S | 42.7 | Very low | 38 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | | -164.2 | 115.8 | 118.4 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 434 | D | 38.1 | Very low | 38.6 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -68.9 | 140.4 | 155 | -69.5 | -93.7 | 0 | 0 | 0 | 109 | | |
| 435 | D | 40.7 | Very low | 38.9 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -123.9 | 107.8 | 166.2 | -115.5 | -40.3 | 0 | 0 | 0 | 109.6 | | |
| 436 | I | 41.3 | Very low | 39.5 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | | | trans | -96.1 | 108 | -179.9 | -59.9 | 179.2 | 0 | 0 | 0 | 109 | S438 | I436-S438 VanDerWaalsContact CG2-OG 3.3Å; I436-S438 WeakPolarHBondContact CG2-OG 3.49Å; I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.1Å |
| 437 | L | 45.9 | Very low | 40.1 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | | | trans | -74.6 | 96 | 160.4 | -68.1 | -179.6 | 0 | 0 | 0 | 109.5 | | |
| 438 | S | 42.6 | Very low | 40.9 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -90.7 | 108.1 | 171.5 | -69.8 | 0 | 0 | 0 | 0 | 110.6 | I436 | I436-S438 VanDerWaalsContact CG2-OG 3.3Å; I436-S438 WeakPolarHBondContact CG2-OG 3.49Å; I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.1Å |
| 439 | D | 37 | Very low | 41.4 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | -92.1 | 126.7 | 165.5 | -133.9 | -14.4 | 0 | 0 | 0 | 109.4 | | |
| 440 | P | 50.2 | Low | 42.1 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | | | trans | -111.5 | 139.1 | -159.7 | 40.2 | -33.7 | 0 | 0 | 0 | 115.8 | | |
| 441 | I | 42.8 | Very low | 42.8 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | 65.3 | 136.8 | 160.9 | -6.2 | -171.1 | 0 | 0 | 0 | 115.3 | | |
| 442 | Y | 41.1 | Very low | 43.2 | Very low | 209 Ų | 209 | 143.3 Ų | 143.3 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | | | cis | -152.7 | 122.8 | 17.4 | -173.2 | -83.4 | 0 | 0 | 0 | 112 | | |
| 443 | S | 34.3 | Very low | 43.1 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -175.2 | 69.1 | 154 | -87 | 0 | 0 | 0 | 0 | 111.2 | | |
| 444 | K | 40.7 | Very low | 43.9 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -96.8 | 106 | 176 | -75.2 | -175.8 | 177.7 | 178.4 | 0 | 111.2 | | |
| 445 | S | 38.8 | Very low | 44.4 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | trans | -142.3 | 78.8 | 151.3 | -159 | 0 | 0 | 0 | 0 | 109.3 | | |
| 446 | S | 48.2 | Very low | 45.4 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -127.1 | 86.8 | -179 | -177 | 0 | 0 | 0 | 0 | 109.8 | K448 | S446-K448 PolarHBondContact O-N 3.08Š|
| 447 | T | 45.5 | Very low | 46.3 | Very low | 141 Ų | 141 | 139 Ų | 139 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | | | trans | -87.2 | 45.5 | 161.4 | 47.1 | 0 | 0 | 0 | 0 | 110 | S449 | T447-S449 PolarHBondContact O-N 3.22Š|
| 448 | K | 48 | Very low | 46.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | | | trans | -70 | 93.4 | 178.3 | -171.6 | 173.7 | -175.9 | 176.4 | 0 | 109.6 | S446 V450 | S446-K448 PolarHBondContact O-N 3.08Å; K448-V450 PolarHBondContact O-N 2.9Å |
| 449 | S | 48.5 | Very low | 47.9 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 46% | 0.455 | 72% | 0.717 | S | S | . | * | | | trans | -63 | 131.7 | 174.6 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | T447 Y451 Q452 | T447-S449 PolarHBondContact O-N 3.22Å; S449-Y451 PolarHBondContact O-N 3.35Å; S449-Q452 PolarHBondContact O-N 2.87Å |
| 450 | V | 46.1 | Very low | 49.1 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 14.5 | -168.7 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | K448 | K448-V450 PolarHBondContact O-N 2.9Š|
| 451 | Y | 45.2 | Very low | 50.1 | Low | 231 Ų | 231 | 135.9 Ų | 135.9 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 2.3 | 177.1 | -90.7 | -85.3 | 0 | 0 | 0 | 114.2 | S449 | S449-Y451 PolarHBondContact O-N 3.35Š|
| 452 | Q | 45 | Very low | 52.1 | Low | 137 Ų | 137 | 130.6 Ų | 130.6 | 64% | 0.64 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -89.7 | 113.9 | 166.8 | -80.1 | -176.3 | -38.4 | 0 | 0 | 110.7 | S449 P454 | S449-Q452 PolarHBondContact O-N 2.87Å; Q452-P454 WeakPolarHBondContact O-CD 3.32Å |
| 453 | S | 41.8 | Very low | 54.4 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | | | trans | -57.6 | 121.2 | 168.1 | 52.3 | 0 | 0 | 0 | 0 | 110 | D455 | S453-D455 VanDerWaalsContact C-N 3.31Å; S453-D455 PolarHBondContact O-N 2.91Å |
| 454 | P | 59.5 | Low | 57.1 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -33.8 | -173.2 | -25 | 35.2 | 0 | 0 | 0 | 114.5 | Q452 R456 | Q452-P454 WeakPolarHBondContact O-CD 3.32Å; P454-R456 PolarHBondContact O-N 2.95Å |
| 455 | D | 50 | Low | 59.5 | Low | 152 Ų | 152 | 110.5 Ų | 110.5 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 46.1 | -164.2 | -57.9 | -67.1 | 0 | 0 | 0 | 114.1 | S453 | S453-D455 VanDerWaalsContact C-N 3.31Å; S453-D455 PolarHBondContact O-N 2.91Å |
| 456 | R | 60.5 | Low | 61.9 | Low | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -90 | 117.6 | 150.7 | -161.6 | -178.6 | -158.5 | -143.3 | 10.1 | 107 | P454 V458 | P454-R456 PolarHBondContact O-N 2.95Å; R456-V458 PolarHBondContact O-N 3.33Å |
| 457 | P | 59.9 | Low | 64 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | | | trans | -58.4 | 129 | 176.7 | 24.8 | -33.4 | 0 | 0 | 0 | 108.5 | L459 | P457-L459 PolarHBondContact O-N 3.46Š|
| 458 | V | 57 | Low | 66.1 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 62% | 0.624 | 56% | 0.556 | S | S | * | * | | | trans | -60.8 | 103.6 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | R456 D462 L463 | R456-V458 PolarHBondContact O-N 3.33Å; V458-D462 HydrophobicContact CG1-CB 4.06Å; V458-L463 HydrophobicContact CG1-CD2 3.89Å; V458-L463 HydrophobicContact CG1-CG 4.11Å |
| 459 | L | 65.3 | Low | 68.1 | Low | 62 Ų | 62 | 108.8 Ų | 108.8 | 33% | 0.325 | 56% | 0.556 | S | S | . | * | | | trans | -73.6 | 157.5 | 179.8 | -75.3 | 155.3 | 0 | 0 | 0 | 108.4 | P457 K461 D462 | P457-L459 PolarHBondContact O-N 3.46Å; L459-K461 HydrophobicContact CB-CB 4.13Å; L459-K461 HydrophobicContact CB-CD 4.12Å; L459-K461 HydrophobicContact CB-CG 4.16Å; L459-K461 HydrophobicContact CD1-CD 4.26Å; L459-K461 PolarHBondContact O-N 2.85Å; L459-D462 WeakPolarHBondContact CB-OD2 3.43Å; L459-D462 PolarHBondContact N-OD2 3.13Å; L459-D462 WeakPolarHBondContact O-CB 3.47Å; L459-D462 PolarHBondContact O-N 3.12Å |
| 460 | E | 62.5 | Low | 70.1 | Confident | 182 Ų | 182 | 109 Ų | 109 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -51.8 | -25.6 | 171.8 | -169 | -178.7 | -171.2 | 0 | 0 | 112.6 | D462 | E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.23Å |
| 461 | K | 71.1 | Confident | 72 | Confident | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -67.5 | -21.8 | 176 | -50.8 | 167.5 | -168.2 | 175.4 | 0 | 114.2 | L459 | L459-K461 HydrophobicContact CB-CB 4.13Å; L459-K461 HydrophobicContact CB-CD 4.12Å; L459-K461 HydrophobicContact CB-CG 4.16Å; L459-K461 HydrophobicContact CD1-CD 4.26Å; L459-K461 PolarHBondContact O-N 2.85Å |
| 462 | D | 85.1 | Confident | 73.8 | Confident | 46 Ų | 46 | 98.4 Ų | 98.4 | 25% | 0.246 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -100.4 | 0.5 | -170.7 | -56.4 | -36.5 | 0 | 0 | 0 | 112.4 | V458 L459 E460 P470 F471 | V458-D462 HydrophobicContact CG1-CB 4.06Å; L459-D462 WeakPolarHBondContact CB-OD2 3.43Å; L459-D462 PolarHBondContact N-OD2 3.13Å; L459-D462 WeakPolarHBondContact O-CB 3.47Å; L459-D462 PolarHBondContact O-N 3.12Å; E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.23Å; D462-P470 WeakPolarHBondContact O-CA 3.3Å; D462-F471 VanDerWaalsContact C-CD2 3.45Å; D462-F471 WeakPolarHBondContact O-CD2 3.5Å; D462-F471 PolarHBondContact O-N 3.47Å |
| 463 | L | 89.3 | Confident | 75.2 | Confident | 56 Ų | 56 | 95.5 Ų | 95.5 | 29% | 0.293 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -109.7 | 143.1 | 175.3 | -59.6 | -178.6 | 0 | 0 | 0 | 111.5 | V458 T465 P470 | V458-L463 HydrophobicContact CG1-CD2 3.89Å; V458-L463 HydrophobicContact CG1-CG 4.11Å; L463-T465 PolarHBondContact O-N 3.4Å; L463-P470 HydrophobicContact CD2-CB 3.9Å |
| 464 | C | 91.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 95.2 Ų | 95.2 | 0% | 0 | 51% | 0.511 | C | S | . | . | | | trans | -69.6 | 122.1 | 170.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | T466 C467 R468 K469 F471 N485 C486 H487 | C464-T466 VanDerWaalsContact C-N 3.3Å; C464-T466 PolarHBondContact O-N 2.98Å; C464-C467 PolarHBondContact O-N 3.48Å; C464-C467 PolarHBondContact SG-SG 2.9Å; C464-R468 WeakPolarHBondContact O-CA 3.17Å; C464-R468 PolarHBondContact O-N 2.78Å; C464-K469 WeakPolarHBondContact CB-O 3.4Å; C464-K469 PolarHBondContact N-O 3.31Å; C464-F471 HydrophobicContact CB-CE1 4.13Å; C464-F471 HydrophobicContact CB-CZ 4.17Å; C464-N485 CarbonylContact C-O 3.58Å; C464-N485 WeakPolarHBondContact CA-O 3.49Å; C464-C486 VanDerWaalsContact SG-CA 3.56Å; C464-C486 VanDerWaalsContact SG-CB 3.57Å; C464-H487 WeakPolarHBondContact CB-CE1 3.5Å |
| 465 | T | 89.8 | Confident | 77.9 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.4 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L463 R468 N485 | L463-T465 PolarHBondContact O-N 3.4Å; T465-R468 PolarHBondContact O-NE 3.21Å; T465-N485 PolarHBondContact N-O 2.76Å; T465-N485 PolarHBondContact OG1-O 3.43Å |
| 466 | T | 89.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -40.9 | -177 | -38.2 | 0 | 0 | 0 | 0 | 113.8 | C464 C490 | C464-T466 VanDerWaalsContact C-N 3.3Å; C464-T466 PolarHBondContact O-N 2.98Å; T466-C490 HydrophobicContact CG2-CB 4.45Å |
| 467 | C | 92.1 | Very high | 81 | Confident | 50 Ų | 50 | 87.6 Ų | 87.6 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 0.3 | -172 | 75.3 | 0 | 0 | 0 | 0 | 115.2 | C464 K469 H487 | C464-C467 PolarHBondContact O-N 3.48Å; C464-C467 PolarHBondContact SG-SG 2.9Å; C467-K469 PolarHBondContact O-N 3.42Å; C467-H487 VanDerWaalsContact SG-CE1 3.6Å |
| 468 | R | 90.6 | Very high | 82.4 | Confident | 188 Ų | 188 | 85.4 Ų | 85.4 | 71% | 0.709 | 47% | 0.466 | S | S | * | . | | | trans | 55.9 | 10.5 | 178.3 | -54.3 | -54.9 | -175.4 | 105.4 | 1.1 | 116.7 | C464 T465 | C464-R468 WeakPolarHBondContact O-CA 3.17Å; C464-R468 PolarHBondContact O-N 2.78Å; T465-R468 PolarHBondContact O-NE 3.21Å |
| 469 | K | 89.8 | Confident | 83.9 | Confident | 141 Ų | 141 | 82.5 Ų | 82.5 | 61% | 0.613 | 45% | 0.447 | S | S | * | . | | | trans | -81.4 | 147.1 | 171.5 | -61.8 | -177.2 | -178.4 | -175 | 0 | 111 | C464 C467 | C464-K469 WeakPolarHBondContact CB-O 3.4Å; C464-K469 PolarHBondContact N-O 3.31Å; C467-K469 PolarHBondContact O-N 3.42Å |
| 470 | P | 89.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 85 Ų | 85 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 153.6 | 175.4 | 31.3 | -36 | 0 | 0 | 0 | 112.2 | D462 L463 T472 | D462-P470 WeakPolarHBondContact O-CA 3.3Å; L463-P470 HydrophobicContact CD2-CB 3.9Å; P470-T472 PolarHBondContact O-N 3.17Å |
| 471 | F | 87 | Confident | 86 | Confident | 37 Ų | 37 | 84.2 Ų | 84.2 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | | | trans | -74.4 | 100.3 | 176.6 | -60.4 | -68.2 | 0 | 0 | 0 | 111.9 | D462 C464 G473 K476 N485 H487 | D462-F471 VanDerWaalsContact C-CD2 3.45Å; D462-F471 WeakPolarHBondContact O-CD2 3.5Å; D462-F471 PolarHBondContact O-N 3.47Å; C464-F471 HydrophobicContact CB-CE1 4.13Å; C464-F471 HydrophobicContact CB-CZ 4.17Å; F471-G473 PolarHBondContact O-N 2.77Å; F471-K476 HydrophobicContact CD1-CB 3.91Å; F471-K476 HydrophobicContact CD2-CD 4.45Å; F471-K476 HydrophobicContact CE1-CB 3.82Å; F471-K476 HydrophobicContact CG-CB 4.48Å; F471-K476 HydrophobicContact CZ-CB 4.3Å; F471-N485 HydrophobicContact CE2-CB 4.28Å; F471-N485 HydrophobicContact CZ-CB 4.13Å; F471-H487 AromaticContact CD1-CD2 3.48Å; F471-H487 VanDerWaalsContact CD1-CD2 3.48Å; F471-H487 WeakPolarHBondContact CD1-CD2 3.32Å; F471-H487 AromaticContact CD1-NE2 3.5Å; F471-H487 WeakPolarHBondContact CD1-NE2 3.34Å; F471-H487 AromaticContact CE1-CD2 3.76Å; F471-H487 AromaticContact CE1-NE2 3.86Å |
| 472 | T | 82.6 | Confident | 86.6 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -79.2 | 37 | 180 | 44.2 | 0 | 0 | 0 | 0 | 114.1 | P470 | P470-T472 PolarHBondContact O-N 3.17Š|
| 473 | G | 75.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 78% | 0.784 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 87.7 | 0.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F471 | F471-G473 PolarHBondContact O-N 2.77Š|
| 474 | D | 76.7 | Confident | 86.6 | Confident | 90 Ų | 90 | 84.5 Ų | 84.5 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | | | trans | -65.3 | 154 | 177.2 | -67.5 | -32.4 | 0 | 0 | 0 | 113 | K476 H487 | D474-K476 PolarHBondContact O-N 3.11Å; D474-K476 VanDerWaalsContact O-N 3.11Å; D474-H487 IonicContact OD2-CD2 3.98Å |
| 475 | A | 81.1 | Confident | 86.5 | Confident | 78 Ų | 78 | 85.4 Ų | 85.4 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | | | trans | -60.7 | 113.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | A488 | A475-A488 PolarHBondContact O-N 3.09Å; A475-A488 VanDerWaalsContact O-N 3.09Å |
| 476 | K | 87.4 | Confident | 86.6 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 48% | 0.483 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134 | 179.8 | 64 | 170.8 | -170.4 | 165.3 | 0 | 112.3 | F471 D474 V478 C486 | F471-K476 HydrophobicContact CD1-CB 3.91Å; F471-K476 HydrophobicContact CD2-CD 4.45Å; F471-K476 HydrophobicContact CE1-CB 3.82Å; F471-K476 HydrophobicContact CG-CB 4.48Å; F471-K476 HydrophobicContact CZ-CB 4.3Å; D474-K476 PolarHBondContact O-N 3.11Å; D474-K476 VanDerWaalsContact O-N 3.11Å; K476-V478 HydrophobicContact CB-CG2 4.4Å; K476-V478 HydrophobicContact CD-CG2 3.66Å; K476-V478 HydrophobicContact CG-CG2 3.88Å; K476-C486 CarbonylContact C-O 3.49Å; K476-C486 WeakPolarHBondContact CA-O 3.44Å |
| 477 | M | 87.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.1 | 165.3 | -63.5 | -57.4 | -60.6 | 0 | 0 | 108.2 | C486 F491 | M477-C486 PolarHBondContact N-O 3.17Å; M477-C486 PolarHBondContact O-N 3.13Å; M477-F491 HydrophobicContact CB-CB 4.06Å; M477-F491 HydrophobicContact CB-CD1 4.11Å; M477-F491 HydrophobicContact CB-CD2 4.26Å; M477-F491 HydrophobicContact CB-CG 3.89Å; M477-F491 HydrophobicContact CE-CD1 3.86Å; M477-F491 HydrophobicContact CE-CE1 3.79Å; M477-F491 HydrophobicContact CG-CB 3.8Å; M477-F491 HydrophobicContact CG-CD1 3.76Å; M477-F491 HydrophobicContact CG-CG 3.85Å; M477-F491 HydrophobicContact SD-CD1 4.49Å |
| 478 | V | 89.2 | Confident | 86.5 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.5 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | K476 D480 I484 N485 | K476-V478 HydrophobicContact CB-CG2 4.4Å; K476-V478 HydrophobicContact CD-CG2 3.66Å; K476-V478 HydrophobicContact CG-CG2 3.88Å; V478-D480 WeakPolarHBondContact CG1-OD1 3.38Å; V478-I484 CarbonylContact C-O 3.59Å; V478-I484 WeakPolarHBondContact CA-O 3.47Å; V478-N485 WeakPolarHBondContact CG2-OD1 3.14Å |
| 479 | L | 89.2 | Confident | 86.5 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 86.1 | 177.1 | -75.3 | 149.9 | 0 | 0 | 0 | 107.6 | D481 M482 K483 I484 F491 M509 I511 | L479-D481 VanDerWaalsContact C-N 3.33Å; L479-D481 PolarHBondContact O-N 2.68Å; L479-M482 HydrophobicContact CB-CE 3.76Å; L479-M482 HydrophobicContact CD1-CE 3.73Å; L479-M482 HydrophobicContact CD2-CE 4.13Å; L479-M482 HydrophobicContact CG-CE 4.08Å; L479-M482 PolarHBondContact O-N 2.64Å; L479-M482 VanDerWaalsContact O-N 3.14Å; L479-K483 PolarHBondContact O-N 3.45Å; L479-K483 VanDerWaalsContact O-N 3.1Å; L479-I484 HydrophobicContact CB-CB 4.31Å; L479-I484 PolarHBondContact N-O 2.93Å; L479-I484 PolarHBondContact O-N 2.85Å; L479-I484 VanDerWaalsContact O-N 3.08Å; L479-F491 HydrophobicContact CD1-CE1 4.44Å; L479-F491 HydrophobicContact CD1-CE2 3.55Å; L479-F491 HydrophobicContact CD1-CZ 3.38Å; L479-M509 HydrophobicContact CD1-CE 4.29Å; L479-I511 HydrophobicContact CD2-CD1 4.36Å |
| 480 | D | 86.6 | Confident | 86.6 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.9 | -37.5 | -169.2 | -70.6 | -51 | 0 | 0 | 0 | 113.1 | V478 M482 K483 | V478-D480 WeakPolarHBondContact CG1-OD1 3.38Å; D480-M482 PolarHBondContact O-N 3Å; D480-M482 VanDerWaalsContact O-N 3.15Å; D480-K483 WeakPolarHBondContact O-CA 3.48Å; D480-K483 PolarHBondContact O-N 2.94Å |
| 481 | D | 84.6 | Confident | 86.7 | Confident | 165 Ų | 165 | 63 Ų | 63 | 88% | 0.882 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.4 | 177.5 | -59.3 | -31.6 | 0 | 0 | 0 | 113.5 | L479 | L479-D481 VanDerWaalsContact C-N 3.33Å; L479-D481 PolarHBondContact O-N 2.68Å |
| 482 | M | 84.5 | Confident | 87 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 14% | 0.143 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -103 | -1.6 | 175.1 | -64.9 | -175.1 | -71.8 | 0 | 0 | 112.8 | L479 D480 I484 I511 V516 | L479-M482 HydrophobicContact CB-CE 3.76Å; L479-M482 HydrophobicContact CD1-CE 3.73Å; L479-M482 HydrophobicContact CD2-CE 4.13Å; L479-M482 HydrophobicContact CG-CE 4.08Å; L479-M482 PolarHBondContact O-N 2.64Å; L479-M482 VanDerWaalsContact O-N 3.14Å; D480-M482 PolarHBondContact O-N 3Å; D480-M482 VanDerWaalsContact O-N 3.15Å; M482-I484 HydrophobicContact CB-CB 4.5Å; M482-I484 HydrophobicContact CB-CD1 3.88Å; M482-I484 HydrophobicContact CB-CG1 3.81Å; M482-I484 HydrophobicContact CE-CD1 3.97Å; M482-I484 PolarHBondContact O-N 2.84Å; M482-I484 HydrophobicContact SD-CD1 4.03Å; M482-I511 HydrophobicContact CE-CD1 3.48Å; M482-I511 VanDerWaalsContact CE-CD1 3.48Å; M482-I511 HydrophobicContact CE-CG1 3.72Å; M482-I511 HydrophobicContact CE-CG2 4.21Å; M482-I511 HydrophobicContact CG-CG2 4.43Å; M482-I511 HydrophobicContact SD-CB 4.38Å; M482-I511 HydrophobicContact SD-CD1 4.22Å; M482-I511 HydrophobicContact SD-CG1 4.06Å; M482-I511 HydrophobicContact SD-CG2 3.44Å; M482-I511 WeakPolarHBondContact SD-CG2 3.4Å; M482-V516 HydrophobicContact CE-CG2 3.94Å; M482-V516 HydrophobicContact SD-CG2 4.29Å |
| 483 | K | 84.9 | Confident | 87.5 | Confident | 172 Ų | 172 | 60.3 Ų | 60.3 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 27.6 | -168.9 | -55.7 | -173.9 | 177.2 | -173.4 | 0 | 113.8 | L479 D480 N485 | L479-K483 PolarHBondContact O-N 3.45Å; L479-K483 VanDerWaalsContact O-N 3.1Å; D480-K483 WeakPolarHBondContact O-CA 3.48Å; D480-K483 PolarHBondContact O-N 2.94Å; K483-N485 PolarHBondContact O-N 3.12Å |
| 484 | I | 88.2 | Confident | 88.2 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 108.2 | 179.2 | -63.4 | 177 | 0 | 0 | 0 | 108.8 | V478 L479 M482 C486 F491 V516 | V478-I484 CarbonylContact C-O 3.59Å; V478-I484 WeakPolarHBondContact CA-O 3.47Å; L479-I484 HydrophobicContact CB-CB 4.31Å; L479-I484 PolarHBondContact N-O 2.93Å; L479-I484 PolarHBondContact O-N 2.85Å; L479-I484 VanDerWaalsContact O-N 3.08Å; M482-I484 HydrophobicContact CB-CB 4.5Å; M482-I484 HydrophobicContact CB-CD1 3.88Å; M482-I484 HydrophobicContact CB-CG1 3.81Å; M482-I484 HydrophobicContact CE-CD1 3.97Å; M482-I484 PolarHBondContact O-N 2.84Å; M482-I484 HydrophobicContact SD-CD1 4.03Å; I484-C486 HydrophobicContact CG2-CB 4.49Å; I484-F491 HydrophobicContact CG2-CD2 4.47Å; I484-F491 HydrophobicContact CG2-CE2 4.4Å; I484-V516 HydrophobicContact CD1-CG2 4.06Å |
| 485 | N | 89.6 | Confident | 89 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.9 | 168.2 | -71.6 | -83.7 | 0 | 0 | 0 | 107.5 | C464 T465 F471 V478 K483 | C464-N485 CarbonylContact C-O 3.58Å; C464-N485 WeakPolarHBondContact CA-O 3.49Å; T465-N485 PolarHBondContact N-O 2.76Å; T465-N485 PolarHBondContact OG1-O 3.43Å; F471-N485 HydrophobicContact CE2-CB 4.28Å; F471-N485 HydrophobicContact CZ-CB 4.13Å; V478-N485 WeakPolarHBondContact CG2-OD1 3.14Å; K483-N485 PolarHBondContact O-N 3.12Å |
| 486 | C | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 159.9 | -177.5 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | C464 K476 M477 I484 C490 F491 | C464-C486 VanDerWaalsContact SG-CA 3.56Å; C464-C486 VanDerWaalsContact SG-CB 3.57Å; K476-C486 CarbonylContact C-O 3.49Å; K476-C486 WeakPolarHBondContact CA-O 3.44Å; M477-C486 PolarHBondContact N-O 3.17Å; M477-C486 PolarHBondContact O-N 3.13Å; I484-C486 HydrophobicContact CG2-CB 4.49Å; C486-C490 HydrophobicContact CB-CB 4.15Å; C486-F491 WeakPolarHBondContact SG-CD2 3.49Å |
| 487 | H | 91.7 | Very high | 89.7 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.06 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 151.2 | 174 | -51 | 106.3 | 0 | 0 | 0 | 110.2 | C464 C467 F471 D474 T489 C490 F491 | C464-H487 WeakPolarHBondContact CB-CE1 3.5Å; C467-H487 VanDerWaalsContact SG-CE1 3.6Å; F471-H487 AromaticContact CD1-CD2 3.48Å; F471-H487 VanDerWaalsContact CD1-CD2 3.48Å; F471-H487 WeakPolarHBondContact CD1-CD2 3.32Å; F471-H487 AromaticContact CD1-NE2 3.5Å; F471-H487 WeakPolarHBondContact CD1-NE2 3.34Å; F471-H487 AromaticContact CE1-CD2 3.76Å; F471-H487 AromaticContact CE1-NE2 3.86Å; D474-H487 IonicContact OD2-CD2 3.98Å; H487-T489 PolarHBondContact O-N 2.91Å; H487-T489 VanDerWaalsContact O-N 3.12Å; H487-C490 HydrophobicContact CB-CB 4.1Å; H487-C490 PolarHBondContact ND1-SG 3.09Å; H487-C490 VanDerWaalsContact ND1-SG 3.42Å; H487-C490 CarbonylContact O-C 3.53Å; H487-C490 WeakPolarHBondContact O-CA 3.48Å; H487-C490 WeakPolarHBondContact O-CB 3.47Å; H487-C490 PolarHBondContact O-N 3.48Å; H487-F491 PolarHBondContact O-N 3.03Å |
| 488 | A | 89.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -36.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A475 G501 | A475-A488 PolarHBondContact O-N 3.09Å; A475-A488 VanDerWaalsContact O-N 3.09Å; A488-G501 VanDerWaalsContact O-CA 3.31Å; A488-G501 WeakPolarHBondContact O-CA 3.48Å; A488-G501 PolarHBondContact O-N 3.46Å |
| 489 | T | 90.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.1 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | H487 K492 Y502 | H487-T489 PolarHBondContact O-N 2.91Å; H487-T489 VanDerWaalsContact O-N 3.12Å; T489-K492 WeakPolarHBondContact O-CE 3.45Å; T489-Y502 WeakPolarHBondContact CG2-OH 3.48Å |
| 490 | C | 91.5 | Very high | 89.9 | Confident | 21 Ų | 21 | 56 Ų | 56 | 14% | 0.142 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -15.7 | 177 | -66.5 | 0 | 0 | 0 | 0 | 113 | T466 C486 H487 K492 | T466-C490 HydrophobicContact CG2-CB 4.45Å; C486-C490 HydrophobicContact CB-CB 4.15Å; H487-C490 HydrophobicContact CB-CB 4.1Å; H487-C490 PolarHBondContact ND1-SG 3.09Å; H487-C490 VanDerWaalsContact ND1-SG 3.42Å; H487-C490 CarbonylContact O-C 3.53Å; H487-C490 WeakPolarHBondContact O-CA 3.48Å; H487-C490 WeakPolarHBondContact O-CB 3.47Å; H487-C490 PolarHBondContact O-N 3.48Å; C490-K492 PolarHBondContact O-N 3.2Å |
| 491 | F | 91.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | | | trans | -81 | 113.1 | 179.2 | -166.4 | -126.3 | 0 | 0 | 0 | 110.3 | M477 L479 I484 C486 H487 L500 M509 V516 | M477-F491 HydrophobicContact CB-CB 4.06Å; M477-F491 HydrophobicContact CB-CD1 4.11Å; M477-F491 HydrophobicContact CB-CD2 4.26Å; M477-F491 HydrophobicContact CB-CG 3.89Å; M477-F491 HydrophobicContact CE-CD1 3.86Å; M477-F491 HydrophobicContact CE-CE1 3.79Å; M477-F491 HydrophobicContact CG-CB 3.8Å; M477-F491 HydrophobicContact CG-CD1 3.76Å; M477-F491 HydrophobicContact CG-CG 3.85Å; M477-F491 HydrophobicContact SD-CD1 4.49Å; L479-F491 HydrophobicContact CD1-CE1 4.44Å; L479-F491 HydrophobicContact CD1-CE2 3.55Å; L479-F491 HydrophobicContact CD1-CZ 3.38Å; I484-F491 HydrophobicContact CG2-CD2 4.47Å; I484-F491 HydrophobicContact CG2-CE2 4.4Å; C486-F491 WeakPolarHBondContact SG-CD2 3.49Å; H487-F491 PolarHBondContact O-N 3.03Å; F491-L500 HydrophobicContact CD1-CB 3.6Å; F491-L500 HydrophobicContact CE1-CB 3.85Å; F491-L500 HydrophobicContact CE1-CD1 4.46Å; F491-L500 HydrophobicContact CG-CB 4.42Å; F491-L500 PolarHBondContact O-N 3.22Å; F491-M509 HydrophobicContact CE1-CE 4.03Å; F491-M509 HydrophobicContact CE1-SD 3.35Å; F491-M509 WeakPolarHBondContact CE1-SD 3.31Å; F491-M509 HydrophobicContact CZ-CE 3.79Å; F491-M509 HydrophobicContact CZ-SD 3.33Å; F491-M509 WeakPolarHBondContact CZ-SD 3.4Å; F491-V516 HydrophobicContact CE2-CG1 4.16Å; F491-V516 HydrophobicContact CE2-CG2 4.11Å; F491-V516 HydrophobicContact CZ-CG1 3.83Å; F491-V516 HydrophobicContact CZ-CG2 4.38Å |
| 492 | K | 93 | Very high | 89.8 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -142.3 | 153 | -165.9 | -70 | -176.6 | 166.6 | -146.8 | 0 | 112.2 | T489 C490 N497 G498 | T489-K492 WeakPolarHBondContact O-CE 3.45Å; C490-K492 PolarHBondContact O-N 3.2Å; K492-N497 WeakPolarHBondContact CD-O 3.33Å; K492-G498 VanDerWaalsContact CA-O 3.28Å; K492-G498 WeakPolarHBondContact CA-O 3.41Å |
| 493 | C | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | | | trans | -69.3 | 128.3 | 169.7 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | V495 C496 N497 G498 L500 V516 C518 | C493-V495 PolarHBondContact O-N 2.79Å; C493-C496 VanDerWaalsContact CB-SG 3.54Å; C493-N497 WeakPolarHBondContact O-CA 3.19Å; C493-N497 PolarHBondContact O-N 2.86Å; C493-G498 PolarHBondContact N-O 3.47Å; C493-L500 HydrophobicContact CB-CD1 4.19Å; C493-L500 HydrophobicContact CB-CG 4.44Å; C493-V516 WeakPolarHBondContact CA-O 3.48Å; C493-C518 HydrophobicContact CB-CB 4.25Å; C493-C518 PolarHBondContact SG-N 3.31Å |
| 494 | D | 91.3 | Very high | 89.5 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24 | -179.5 | -173.8 | 81.3 | 0 | 0 | 0 | 113.9 | K515 V516 | D494-K515 HydrophobicContact CB-CB 4.16Å; D494-K515 HydrophobicContact CB-CG 4.43Å; D494-K515 IonicContact OD1-NZ 2.64Å; D494-K515 PolarHBondContact OD1-NZ 3.04Å; D494-K515 WeakPolarHBondContact OD2-CD 3.2Å; D494-K515 IonicContact OD2-NZ 2.68Å; D494-K515 PolarHBondContact OD2-NZ 3.01Å; D494-V516 WeakPolarHBondContact CB-O 2.97Å; D494-V516 PolarHBondContact N-O 2.88Å |
| 495 | V | 91.9 | Very high | 89.2 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -47.7 | -174.9 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | C493 H517 C521 T525 | C493-V495 PolarHBondContact O-N 2.79Å; V495-H517 WeakPolarHBondContact CG2-ND1 3.47Å; V495-C521 HydrophobicContact CB-CB 4.02Å; V495-C521 HydrophobicContact CG1-CB 4.22Å; V495-C521 HydrophobicContact CG2-CB 4.5Å; V495-T525 HydrophobicContact CG2-CG2 4.37Å |
| 496 | C | 92.9 | Very high | 88.8 | Confident | 69 Ų | 69 | 57 Ų | 57 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -3.3 | -176.2 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | C493 G498 | C493-C496 VanDerWaalsContact CB-SG 3.54Å; C496-G498 PolarHBondContact O-N 3.28Å |
| 497 | N | 91.1 | Very high | 88.6 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | | | trans | 57.3 | 10.2 | -175.1 | -67.1 | -79.4 | 0 | 0 | 0 | 115.8 | K492 C493 | K492-N497 WeakPolarHBondContact CD-O 3.33Å; C493-N497 WeakPolarHBondContact O-CA 3.19Å; C493-N497 PolarHBondContact O-N 2.86Å |
| 498 | G | 89.9 | Confident | 88.4 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 32% | 0.32 | 38% | 0.384 | S | S | . | . | | | trans | -65.7 | 139.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K492 C493 C496 | K492-G498 VanDerWaalsContact CA-O 3.28Å; K492-G498 WeakPolarHBondContact CA-O 3.41Å; C493-G498 PolarHBondContact N-O 3.47Å; C496-G498 PolarHBondContact O-N 3.28Å |
| 499 | S | 90.9 | Very high | 88.4 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 123.9 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 500 | L | 89.4 | Confident | 88.5 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | | | trans | -99 | -19.7 | -178.5 | -62.2 | 178.7 | 0 | 0 | 0 | 113 | F491 C493 Y502 M503 M509 V516 C518 | F491-L500 HydrophobicContact CD1-CB 3.6Å; F491-L500 HydrophobicContact CE1-CB 3.85Å; F491-L500 HydrophobicContact CE1-CD1 4.46Å; F491-L500 HydrophobicContact CG-CB 4.42Å; F491-L500 PolarHBondContact O-N 3.22Å; C493-L500 HydrophobicContact CB-CD1 4.19Å; C493-L500 HydrophobicContact CB-CG 4.44Å; L500-Y502 PolarHBondContact O-N 2.88Å; L500-M503 HydrophobicContact CB-SD 3.99Å; L500-M503 HydrophobicContact CD2-SD 3.93Å; L500-M503 HydrophobicContact CG-SD 4.49Å; L500-M503 WeakPolarHBondContact O-CB 3.45Å; L500-M503 WeakPolarHBondContact O-CG 3.37Å; L500-M503 PolarHBondContact O-N 3.04Å; L500-M503 VanDerWaalsContact O-N 3.1Å; L500-M509 HydrophobicContact CD1-CG 4.27Å; L500-M509 HydrophobicContact CD1-SD 3.97Å; L500-V516 HydrophobicContact CD1-CG1 3.51Å; L500-C518 HydrophobicContact CD2-CB 3.86Å |
| 501 | G | 85.2 | Confident | 88.5 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A488 | A488-G501 VanDerWaalsContact O-CA 3.31Å; A488-G501 WeakPolarHBondContact O-CA 3.48Å; A488-G501 PolarHBondContact O-N 3.46Å |
| 502 | Y | 83.2 | Confident | 88.3 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -1.3 | 172.2 | -64.6 | -64.9 | 0 | 0 | 0 | 113.9 | T489 L500 K504 | T489-Y502 WeakPolarHBondContact CG2-OH 3.48Å; L500-Y502 PolarHBondContact O-N 2.88Å; Y502-K504 PolarHBondContact O-NZ 3.06Å |
| 503 | M | 82.1 | Confident | 87.9 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 30% | 0.3 | 43% | 0.426 | S | S | . | . | | | trans | -52.9 | 146.2 | 175.9 | -76.5 | 172.2 | 71.2 | 0 | 0 | 112.2 | L500 D507 S508 M509 | L500-M503 HydrophobicContact CB-SD 3.99Å; L500-M503 HydrophobicContact CD2-SD 3.93Å; L500-M503 HydrophobicContact CG-SD 4.49Å; L500-M503 WeakPolarHBondContact O-CB 3.45Å; L500-M503 WeakPolarHBondContact O-CG 3.37Å; L500-M503 PolarHBondContact O-N 3.04Å; L500-M503 VanDerWaalsContact O-N 3.1Å; M503-D507 VanDerWaalsContact CA-OD2 3.23Å; M503-D507 WeakPolarHBondContact CA-OD2 3.33Å; M503-D507 HydrophobicContact CB-CB 3.93Å; M503-D507 HydrophobicContact CE-CB 3.47Å; M503-D507 VanDerWaalsContact CE-CB 3.47Å; M503-D507 WeakPolarHBondContact CE-O 3.41Å; M503-D507 HydrophobicContact CG-CB 4.01Å; M503-S508 WeakPolarHBondContact CE-O 3.35Å; M503-M509 HydrophobicContact CE-CB 3.72Å; M503-M509 HydrophobicContact SD-CB 4.12Å |
| 504 | K | 81.4 | Confident | 87.6 | Confident | 141 Ų | 141 | 85.4 Ų | 85.4 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | | | trans | -95.6 | 164.2 | 177.2 | -52.5 | -50.7 | 175.1 | -139.7 | 0 | 111.1 | Y502 G506 D507 | Y502-K504 PolarHBondContact O-NZ 3.06Å; K504-G506 PolarHBondContact O-N 3.35Å; K504-D507 VanDerWaalsContact N-CG 3.3Å; K504-D507 PolarHBondContact N-OD2 2.94Å; K504-D507 PolarHBondContact O-N 3.34Å |
| 505 | A | 82.4 | Confident | 87.4 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 96% | 0.959 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 105.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 506 | G | 81.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 76% | 0.763 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130 | -26.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K504 | K504-G506 PolarHBondContact O-N 3.35Š|
| 507 | D | 86.1 | Confident | 87.4 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | | | trans | -70.6 | 138.4 | 178.9 | -58.9 | 2.3 | 0 | 0 | 0 | 110.5 | M503 K504 | M503-D507 VanDerWaalsContact CA-OD2 3.23Å; M503-D507 WeakPolarHBondContact CA-OD2 3.33Å; M503-D507 HydrophobicContact CB-CB 3.93Å; M503-D507 HydrophobicContact CE-CB 3.47Å; M503-D507 VanDerWaalsContact CE-CB 3.47Å; M503-D507 WeakPolarHBondContact CE-O 3.41Å; M503-D507 HydrophobicContact CG-CB 4.01Å; K504-D507 VanDerWaalsContact N-CG 3.3Å; K504-D507 PolarHBondContact N-OD2 2.94Å; K504-D507 PolarHBondContact O-N 3.34Å |
| 508 | S | 88.2 | Confident | 87.4 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | | | trans | -100.8 | 142 | -174.6 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | M503 | M503-S508 WeakPolarHBondContact CE-O 3.35Š|
| 509 | M | 90.2 | Very high | 87.5 | Confident | 55 Ų | 55 | 80 Ų | 80 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.6 | -179.8 | 167.5 | -173.2 | 76.4 | 0 | 0 | 109.6 | L479 F491 L500 M503 V516 | L479-M509 HydrophobicContact CD1-CE 4.29Å; F491-M509 HydrophobicContact CE1-CE 4.03Å; F491-M509 HydrophobicContact CE1-SD 3.35Å; F491-M509 WeakPolarHBondContact CE1-SD 3.31Å; F491-M509 HydrophobicContact CZ-CE 3.79Å; F491-M509 HydrophobicContact CZ-SD 3.33Å; F491-M509 WeakPolarHBondContact CZ-SD 3.4Å; L500-M509 HydrophobicContact CD1-CG 4.27Å; L500-M509 HydrophobicContact CD1-SD 3.97Å; M503-M509 HydrophobicContact CE-CB 3.72Å; M503-M509 HydrophobicContact SD-CB 4.12Å; M509-V516 HydrophobicContact CG-CG1 3.68Å; M509-V516 HydrophobicContact SD-CG1 3.37Å; M509-V516 WeakPolarHBondContact SD-CG1 3.42Å |
| 510 | W | 91.8 | Very high | 87.5 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 38% | 0.375 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.9 | -171.3 | -58.1 | 86.5 | 0 | 0 | 0 | 111.8 | H517 F522 | W510-H517 PolarHBondContact N-O 2.82Å; W510-H517 PolarHBondContact O-N 2.67Å; W510-F522 HydrophobicContact CB-CB 3.69Å; W510-F522 HydrophobicContact CB-CD1 4.04Å; W510-F522 HydrophobicContact CB-CD2 3.39Å; W510-F522 HydrophobicContact CB-CE2 3.97Å; W510-F522 HydrophobicContact CB-CG 3.42Å; W510-F522 VanDerWaalsContact CB-CG 3.42Å; W510-F522 HydrophobicContact CB-CZ 4.5Å; W510-F522 AromaticContact CD1-CD1 3.68Å; W510-F522 AromaticContact CD1-CG 3.65Å; W510-F522 HydrophobicContact CD2-CB 4.44Å; W510-F522 AromaticContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD2 4.18Å; W510-F522 AromaticContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE2 4.26Å; W510-F522 AromaticContact CD2-CG 3.73Å; W510-F522 HydrophobicContact CD2-CG 3.73Å; W510-F522 AromaticContact CD2-CZ 3.9Å; W510-F522 HydrophobicContact CD2-CZ 3.9Å; W510-F522 AromaticContact CE2-CD1 3.57Å; W510-F522 AromaticContact CE2-CE1 3.8Å; W510-F522 AromaticContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD2 4.46Å; W510-F522 AromaticContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE2 4.08Å; W510-F522 HydrophobicContact CE3-CG 4.34Å; W510-F522 AromaticContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CG-CB 3.6Å; W510-F522 AromaticContact CG-CD1 3.4Å; W510-F522 HydrophobicContact CG-CD1 3.4Å; W510-F522 VanDerWaalsContact CG-CD1 3.4Å; W510-F522 AromaticContact CG-CD2 3.74Å; W510-F522 HydrophobicContact CG-CD2 3.74Å; W510-F522 AromaticContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE2 4.25Å; W510-F522 AromaticContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CZ 4.33Å; W510-F522 HydrophobicContact CH2-CE1 4.1Å; W510-F522 HydrophobicContact CZ2-CD1 4.24Å; W510-F522 HydrophobicContact CZ2-CE1 4.14Å; W510-F522 HydrophobicContact CZ3-CD1 4.45Å; W510-F522 AromaticContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CZ 4.02Å; W510-F522 AromaticContact NE1-CD1 3.77Å |
| 511 | I | 90.5 | Very high | 87.6 | Confident | 86 Ų | 86 | 82.8 Ų | 82.8 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.1 | -179.5 | -67.3 | 162.2 | 0 | 0 | 0 | 108.2 | L479 M482 K515 | L479-I511 HydrophobicContact CD2-CD1 4.36Å; M482-I511 HydrophobicContact CE-CD1 3.48Å; M482-I511 VanDerWaalsContact CE-CD1 3.48Å; M482-I511 HydrophobicContact CE-CG1 3.72Å; M482-I511 HydrophobicContact CE-CG2 4.21Å; M482-I511 HydrophobicContact CG-CG2 4.43Å; M482-I511 HydrophobicContact SD-CB 4.38Å; M482-I511 HydrophobicContact SD-CD1 4.22Å; M482-I511 HydrophobicContact SD-CG1 4.06Å; M482-I511 HydrophobicContact SD-CG2 3.44Å; M482-I511 WeakPolarHBondContact SD-CG2 3.4Å; I511-K515 WeakPolarHBondContact CA-O 3.46Å |
| 512 | Y | 87.9 | Confident | 88 | Confident | 67 Ų | 67 | 83.4 Ų | 83.4 | 26% | 0.263 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 132.3 | 176.9 | -178.7 | -103.5 | 0 | 0 | 0 | 110.3 | R514 K515 W529 | Y512-R514 PolarHBondContact O-N 3.1Å; Y512-R514 VanDerWaalsContact O-N 3.12Å; Y512-K515 PolarHBondContact N-O 2.77Å; Y512-K515 WeakPolarHBondContact O-CA 3.34Å; Y512-K515 WeakPolarHBondContact O-CB 3.44Å; Y512-K515 PolarHBondContact O-N 2.99Å; Y512-W529 AromaticContact CD1-CD2 3.5Å; Y512-W529 HydrophobicContact CD1-CD2 3.5Å; Y512-W529 AromaticContact CD1-CE2 3.59Å; Y512-W529 AromaticContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CE3 3.4Å; Y512-W529 VanDerWaalsContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CG 4.28Å; Y512-W529 AromaticContact CD1-CH2 3.51Å; Y512-W529 HydrophobicContact CD1-CH2 3.51Å; Y512-W529 AromaticContact CD1-CZ2 3.61Å; Y512-W529 HydrophobicContact CD1-CZ2 3.61Å; Y512-W529 AromaticContact CD1-CZ3 3.42Å; Y512-W529 HydrophobicContact CD1-CZ3 3.42Å; Y512-W529 VanDerWaalsContact CD1-CZ3 3.42Å; Y512-W529 AromaticContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CZ3 4.18Å; Y512-W529 HydrophobicContact CE1-CB 4.18Å; Y512-W529 AromaticContact CE1-CD1 3.95Å; Y512-W529 AromaticContact CE1-CD2 3.28Å; Y512-W529 HydrophobicContact CE1-CD2 3.28Å; Y512-W529 AromaticContact CE1-CE2 3.54Å; Y512-W529 AromaticContact CE1-CE3 3.6Å; Y512-W529 HydrophobicContact CE1-CE3 3.6Å; Y512-W529 AromaticContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CH2 4.3Å; Y512-W529 HydrophobicContact CE1-CZ2 4.05Å; Y512-W529 HydrophobicContact CE1-CZ3 4.11Å; Y512-W529 AromaticContact CE1-NE1 3.93Å; Y512-W529 HydrophobicContact CE2-CB 4.48Å; Y512-W529 HydrophobicContact CE2-CD2 4.43Å; Y512-W529 HydrophobicContact CE2-CE3 4.14Å; Y512-W529 HydrophobicContact CG-CD2 4.16Å; Y512-W529 AromaticContact CG-CE3 3.58Å; Y512-W529 HydrophobicContact CG-CE3 3.58Å; Y512-W529 AromaticContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CZ2 4.44Å; Y512-W529 AromaticContact CG-CZ3 3.45Å; Y512-W529 HydrophobicContact CG-CZ3 3.45Å; Y512-W529 VanDerWaalsContact CG-CZ3 3.45Å; Y512-W529 AromaticContact CZ-CD2 3.81Å; Y512-W529 AromaticContact CZ-CE3 3.98Å; Y512-W529 AromaticContact CZ-CG 3.78Å |
| 513 | K | 85.9 | Confident | 88.2 | Confident | 158 Ų | 158 | 80.2 Ų | 80.2 | 69% | 0.687 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 40.7 | -177.5 | -69.1 | 178.2 | 175.5 | 155.7 | 0 | 113.9 | K515 | K513-K515 PolarHBondContact O-N 2.76Š|
| 514 | R | 85 | Confident | 88.6 | Confident | 208 Ų | 208 | 82.1 Ų | 82.1 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 13.6 | -174.7 | -55.8 | -179.7 | 179 | 134.3 | -0.7 | 115.7 | Y512 | Y512-R514 PolarHBondContact O-N 3.1Å; Y512-R514 VanDerWaalsContact O-N 3.12Å |
| 515 | K | 88.5 | Confident | 88.8 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 154.3 | 170.3 | -75.2 | 161.5 | 163.5 | -80.3 | 0 | 110.1 | D494 I511 Y512 K513 H517 | D494-K515 HydrophobicContact CB-CB 4.16Å; D494-K515 HydrophobicContact CB-CG 4.43Å; D494-K515 IonicContact OD1-NZ 2.64Å; D494-K515 PolarHBondContact OD1-NZ 3.04Å; D494-K515 WeakPolarHBondContact OD2-CD 3.2Å; D494-K515 IonicContact OD2-NZ 2.68Å; D494-K515 PolarHBondContact OD2-NZ 3.01Å; I511-K515 WeakPolarHBondContact CA-O 3.46Å; Y512-K515 PolarHBondContact N-O 2.77Å; Y512-K515 WeakPolarHBondContact O-CA 3.34Å; Y512-K515 WeakPolarHBondContact O-CB 3.44Å; Y512-K515 PolarHBondContact O-N 2.99Å; K513-K515 PolarHBondContact O-N 2.76Å; K515-H517 WeakPolarHBondContact CB-NE2 3.25Å |
| 516 | V | 91 | Very high | 88.9 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.9 | -174.9 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | M482 I484 F491 C493 D494 L500 M509 | M482-V516 HydrophobicContact CE-CG2 3.94Å; M482-V516 HydrophobicContact SD-CG2 4.29Å; I484-V516 HydrophobicContact CD1-CG2 4.06Å; F491-V516 HydrophobicContact CE2-CG1 4.16Å; F491-V516 HydrophobicContact CE2-CG2 4.11Å; F491-V516 HydrophobicContact CZ-CG1 3.83Å; F491-V516 HydrophobicContact CZ-CG2 4.38Å; C493-V516 WeakPolarHBondContact CA-O 3.48Å; D494-V516 WeakPolarHBondContact CB-O 2.97Å; D494-V516 PolarHBondContact N-O 2.88Å; L500-V516 HydrophobicContact CD1-CG1 3.51Å; M509-V516 HydrophobicContact CG-CG1 3.68Å; M509-V516 HydrophobicContact SD-CG1 3.37Å; M509-V516 WeakPolarHBondContact SD-CG1 3.42Å |
| 517 | H | 92.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.7 | -174.6 | -56 | -81 | 0 | 0 | 0 | 110.1 | V495 W510 K515 F522 W529 | V495-H517 WeakPolarHBondContact CG2-ND1 3.47Å; W510-H517 PolarHBondContact N-O 2.82Å; W510-H517 PolarHBondContact O-N 2.67Å; K515-H517 WeakPolarHBondContact CB-NE2 3.25Å; H517-F522 HydrophobicContact CB-CB 4.09Å; H517-W529 AromaticContact CD2-CH2 3.76Å; H517-W529 AromaticContact CE1-CH2 3.74Å; H517-W529 AromaticContact NE2-CH2 3.55Å |
| 518 | C | 92.6 | Very high | 88.5 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 156 | 163.6 | 71.5 | 0 | 0 | 0 | 0 | 109.7 | C493 L500 N520 C521 F522 | C493-C518 HydrophobicContact CB-CB 4.25Å; C493-C518 PolarHBondContact SG-N 3.31Å; L500-C518 HydrophobicContact CD2-CB 3.86Å; C518-N520 PolarHBondContact O-N 3.13Å; C518-C521 PolarHBondContact O-N 3.05Å; C518-C521 VanDerWaalsContact SG-CB 3.56Å; C518-C521 PolarHBondContact SG-N 3.17Å; C518-C521 VanDerWaalsContact SG-N 3.43Å; C518-C521 PolarHBondContact SG-SG 3.36Å; C518-F522 PolarHBondContact O-N 3.01Å |
| 519 | E | 91 | Very high | 88.1 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -42.1 | -60.3 | 175.5 | -175.3 | 165 | -134.1 | 0 | 0 | 113.2 | C521 F522 E523 | E519-C521 VanDerWaalsContact C-N 3.26Å; E519-C521 PolarHBondContact O-N 2.99Å; E519-F522 WeakPolarHBondContact O-CB 3.46Å; E519-F522 PolarHBondContact O-N 3.25Å; E519-E523 WeakPolarHBondContact O-CG 3.28Å; E519-E523 PolarHBondContact O-N 3.18Å |
| 520 | N | 90.8 | Very high | 87.2 | Confident | 110 Ų | 110 | 88 Ų | 88 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.9 | -28.2 | -177.2 | -148.8 | 142.6 | 0 | 0 | 0 | 113.9 | C518 N524 | C518-N520 PolarHBondContact O-N 3.13Å; N520-N524 PolarHBondContact O-ND2 3.5Å; N520-N524 PolarHBondContact O-OD1 3.27Å |
| 521 | C | 92.3 | Very high | 85.5 | Confident | 16 Ų | 16 | 95.3 Ų | 95.3 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -77.1 | -40.9 | 173.5 | -75.8 | 0 | 0 | 0 | 0 | 111.5 | V495 C518 E519 E523 N524 T525 | V495-C521 HydrophobicContact CB-CB 4.02Å; V495-C521 HydrophobicContact CG1-CB 4.22Å; V495-C521 HydrophobicContact CG2-CB 4.5Å; C518-C521 PolarHBondContact O-N 3.05Å; C518-C521 VanDerWaalsContact SG-CB 3.56Å; C518-C521 PolarHBondContact SG-N 3.17Å; C518-C521 VanDerWaalsContact SG-N 3.43Å; C518-C521 PolarHBondContact SG-SG 3.36Å; E519-C521 VanDerWaalsContact C-N 3.26Å; E519-C521 PolarHBondContact O-N 2.99Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 3.43Å; C521-N524 PolarHBondContact O-N 3.39Å; C521-T525 WeakPolarHBondContact O-CG2 3.39Å; C521-T525 PolarHBondContact O-N 3.45Å; C521-T525 PolarHBondContact O-OG1 3.47Å |
| 522 | F | 92.2 | Very high | 85.3 | Confident | 30 Ų | 30 | 95.8 Ų | 95.8 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.3 | 175.3 | -101.7 | 0 | 0 | 0 | 112 | W510 H517 C518 E519 N524 T525 R526 W529 | W510-F522 HydrophobicContact CB-CB 3.69Å; W510-F522 HydrophobicContact CB-CD1 4.04Å; W510-F522 HydrophobicContact CB-CD2 3.39Å; W510-F522 HydrophobicContact CB-CE2 3.97Å; W510-F522 HydrophobicContact CB-CG 3.42Å; W510-F522 VanDerWaalsContact CB-CG 3.42Å; W510-F522 HydrophobicContact CB-CZ 4.5Å; W510-F522 AromaticContact CD1-CD1 3.68Å; W510-F522 AromaticContact CD1-CG 3.65Å; W510-F522 HydrophobicContact CD2-CB 4.44Å; W510-F522 AromaticContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD2 4.18Å; W510-F522 AromaticContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE2 4.26Å; W510-F522 AromaticContact CD2-CG 3.73Å; W510-F522 HydrophobicContact CD2-CG 3.73Å; W510-F522 AromaticContact CD2-CZ 3.9Å; W510-F522 HydrophobicContact CD2-CZ 3.9Å; W510-F522 AromaticContact CE2-CD1 3.57Å; W510-F522 AromaticContact CE2-CE1 3.8Å; W510-F522 AromaticContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD2 4.46Å; W510-F522 AromaticContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE2 4.08Å; W510-F522 HydrophobicContact CE3-CG 4.34Å; W510-F522 AromaticContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CG-CB 3.6Å; W510-F522 AromaticContact CG-CD1 3.4Å; W510-F522 HydrophobicContact CG-CD1 3.4Å; W510-F522 VanDerWaalsContact CG-CD1 3.4Å; W510-F522 AromaticContact CG-CD2 3.74Å; W510-F522 HydrophobicContact CG-CD2 3.74Å; W510-F522 AromaticContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE2 4.25Å; W510-F522 AromaticContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CZ 4.33Å; W510-F522 HydrophobicContact CH2-CE1 4.1Å; W510-F522 HydrophobicContact CZ2-CD1 4.24Å; W510-F522 HydrophobicContact CZ2-CE1 4.14Å; W510-F522 HydrophobicContact CZ3-CD1 4.45Å; W510-F522 AromaticContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CZ 4.02Å; W510-F522 AromaticContact NE1-CD1 3.77Å; H517-F522 HydrophobicContact CB-CB 4.09Å; C518-F522 PolarHBondContact O-N 3.01Å; E519-F522 WeakPolarHBondContact O-CB 3.46Å; E519-F522 PolarHBondContact O-N 3.25Å; F522-N524 VanDerWaalsContact C-N 3.33Å; F522-N524 PolarHBondContact O-N 2.97Å; F522-T525 PolarHBondContact O-N 3.49Å; F522-T525 PolarHBondContact O-OG1 3.3Å; F522-R526 HydrophobicContact CE1-CB 4.29Å; F522-R526 HydrophobicContact CE2-CB 4.29Å; F522-R526 HydrophobicContact CZ-CB 4.11Å; F522-R526 VanDerWaalsContact O-CB 3.25Å; F522-R526 WeakPolarHBondContact O-CB 3.17Å; F522-R526 WeakPolarHBondContact O-CG 3.32Å; F522-R526 PolarHBondContact O-N 3.26Å; F522-W529 AromaticContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CE2-CZ3 4.02Å |
| 523 | E | 89.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 36% | 0.36 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.6 | -58.1 | -144.7 | 112.9 | 0 | 0 | 111.7 | E519 C521 T525 R526 | E519-E523 WeakPolarHBondContact O-CG 3.28Å; E519-E523 PolarHBondContact O-N 3.18Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 3.43Å; E523-T525 VanDerWaalsContact C-N 3.3Å; E523-T525 PolarHBondContact O-N 3.44Å; E523-R526 WeakPolarHBondContact O-CG 3.47Å; E523-R526 IonicContact OE1-CZ 3.07Å; E523-R526 IonicContact OE1-NH1 2.67Å; E523-R526 PolarHBondContact OE1-NH1 3.2Å; E523-R526 IonicContact OE1-NH2 2.72Å; E523-R526 PolarHBondContact OE1-NH2 3.45Å |
| 524 | N | 89.1 | Confident | 85.1 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.4 | -17.4 | 179.2 | -67.1 | -0.9 | 0 | 0 | 0 | 114.1 | N520 C521 F522 | N520-N524 PolarHBondContact O-ND2 3.5Å; N520-N524 PolarHBondContact O-OD1 3.27Å; C521-N524 PolarHBondContact O-N 3.39Å; F522-N524 VanDerWaalsContact C-N 3.33Å; F522-N524 PolarHBondContact O-N 2.97Å |
| 525 | T | 85.2 | Confident | 85.1 | Confident | 20 Ų | 20 | 87.2 Ų | 87.2 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -108.1 | -27.2 | 179.2 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | V495 C521 F522 E523 E527 K528 W529 | V495-T525 HydrophobicContact CG2-CG2 4.37Å; C521-T525 WeakPolarHBondContact O-CG2 3.39Å; C521-T525 PolarHBondContact O-N 3.45Å; C521-T525 PolarHBondContact O-OG1 3.47Å; F522-T525 PolarHBondContact O-N 3.49Å; F522-T525 PolarHBondContact O-OG1 3.3Å; E523-T525 VanDerWaalsContact C-N 3.3Å; E523-T525 PolarHBondContact O-N 3.44Å; T525-E527 PolarHBondContact O-N 2.72Å; T525-K528 CarbonylContact O-C 3.53Å; T525-K528 WeakPolarHBondContact O-CA 3.45Å; T525-K528 WeakPolarHBondContact O-CB 3.21Å; T525-K528 PolarHBondContact O-N 3.13Å; T525-W529 VanDerWaalsContact CB-CZ2 3.44Å; T525-W529 HydrophobicContact CG2-CZ2 4.19Å; T525-W529 VanDerWaalsContact O-CG 3.27Å; T525-W529 PolarHBondContact O-N 2.99Å; T525-W529 VanDerWaalsContact O-N 3.09Å; T525-W529 WeakPolarHBondContact OG1-CH2 3.23Å; T525-W529 WeakPolarHBondContact OG1-CZ2 3.4Å; T525-W529 WeakPolarHBondContact OG1-CZ3 3.47Å |
| 526 | R | 85 | Confident | 84.9 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.6 | -34.6 | 179.8 | 72.7 | -172.5 | 178.4 | -156.3 | -9.9 | 112.5 | F522 E523 K528 W529 R530 | F522-R526 HydrophobicContact CE1-CB 4.29Å; F522-R526 HydrophobicContact CE2-CB 4.29Å; F522-R526 HydrophobicContact CZ-CB 4.11Å; F522-R526 VanDerWaalsContact O-CB 3.25Å; F522-R526 WeakPolarHBondContact O-CB 3.17Å; F522-R526 WeakPolarHBondContact O-CG 3.32Å; F522-R526 PolarHBondContact O-N 3.26Å; E523-R526 WeakPolarHBondContact O-CG 3.47Å; E523-R526 IonicContact OE1-CZ 3.07Å; E523-R526 IonicContact OE1-NH1 2.67Å; E523-R526 PolarHBondContact OE1-NH1 3.2Å; E523-R526 IonicContact OE1-NH2 2.72Å; E523-R526 PolarHBondContact OE1-NH2 3.45Å; R526-K528 VanDerWaalsContact C-N 3.29Å; R526-K528 PolarHBondContact O-N 3.38Å; R526-W529 CarbonylContact O-C 3.59Å; R526-W529 PolarHBondContact O-N 3.41Å; R526-R530 PolarHBondContact O-N 3.47Å; R526-R530 VanDerWaalsContact O-N 3.13Å |
| 527 | E | 80.7 | Confident | 84.5 | Confident | 119 Ų | 119 | 91.6 Ų | 91.6 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -28.2 | 175.6 | -61.1 | -172.8 | 173.8 | 0 | 0 | 112.8 | T525 W529 | T525-E527 PolarHBondContact O-N 2.72Å; E527-W529 VanDerWaalsContact C-N 3.32Å |
| 528 | K | 80.3 | Confident | 83.9 | Confident | 147 Ų | 147 | 97.9 Ų | 97.9 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10.9 | 174.2 | -54.5 | -178.9 | -175.1 | 179.7 | 0 | 112.4 | T525 R526 | T525-K528 CarbonylContact O-C 3.53Å; T525-K528 WeakPolarHBondContact O-CA 3.45Å; T525-K528 WeakPolarHBondContact O-CB 3.21Å; T525-K528 PolarHBondContact O-N 3.13Å; R526-K528 VanDerWaalsContact C-N 3.29Å; R526-K528 PolarHBondContact O-N 3.38Å |
| 529 | W | 78.6 | Confident | 83.3 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -106.1 | -1.3 | 177.5 | -58.1 | -25.8 | 0 | 0 | 0 | 113.8 | Y512 H517 F522 T525 R526 E527 | Y512-W529 AromaticContact CD1-CD2 3.5Å; Y512-W529 HydrophobicContact CD1-CD2 3.5Å; Y512-W529 AromaticContact CD1-CE2 3.59Å; Y512-W529 AromaticContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CE3 3.4Å; Y512-W529 VanDerWaalsContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CG 4.28Å; Y512-W529 AromaticContact CD1-CH2 3.51Å; Y512-W529 HydrophobicContact CD1-CH2 3.51Å; Y512-W529 AromaticContact CD1-CZ2 3.61Å; Y512-W529 HydrophobicContact CD1-CZ2 3.61Å; Y512-W529 AromaticContact CD1-CZ3 3.42Å; Y512-W529 HydrophobicContact CD1-CZ3 3.42Å; Y512-W529 VanDerWaalsContact CD1-CZ3 3.42Å; Y512-W529 AromaticContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CZ3 4.18Å; Y512-W529 HydrophobicContact CE1-CB 4.18Å; Y512-W529 AromaticContact CE1-CD1 3.95Å; Y512-W529 AromaticContact CE1-CD2 3.28Å; Y512-W529 HydrophobicContact CE1-CD2 3.28Å; Y512-W529 AromaticContact CE1-CE2 3.54Å; Y512-W529 AromaticContact CE1-CE3 3.6Å; Y512-W529 HydrophobicContact CE1-CE3 3.6Å; Y512-W529 AromaticContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CH2 4.3Å; Y512-W529 HydrophobicContact CE1-CZ2 4.05Å; Y512-W529 HydrophobicContact CE1-CZ3 4.11Å; Y512-W529 AromaticContact CE1-NE1 3.93Å; Y512-W529 HydrophobicContact CE2-CB 4.48Å; Y512-W529 HydrophobicContact CE2-CD2 4.43Å; Y512-W529 HydrophobicContact CE2-CE3 4.14Å; Y512-W529 HydrophobicContact CG-CD2 4.16Å; Y512-W529 AromaticContact CG-CE3 3.58Å; Y512-W529 HydrophobicContact CG-CE3 3.58Å; Y512-W529 AromaticContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CZ2 4.44Å; Y512-W529 AromaticContact CG-CZ3 3.45Å; Y512-W529 HydrophobicContact CG-CZ3 3.45Å; Y512-W529 VanDerWaalsContact CG-CZ3 3.45Å; Y512-W529 AromaticContact CZ-CD2 3.81Å; Y512-W529 AromaticContact CZ-CE3 3.98Å; Y512-W529 AromaticContact CZ-CG 3.78Å; H517-W529 AromaticContact CD2-CH2 3.76Å; H517-W529 AromaticContact CE1-CH2 3.74Å; H517-W529 AromaticContact NE2-CH2 3.55Å; F522-W529 AromaticContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CE2-CZ3 4.02Å; T525-W529 VanDerWaalsContact CB-CZ2 3.44Å; T525-W529 HydrophobicContact CG2-CZ2 4.19Å; T525-W529 VanDerWaalsContact O-CG 3.27Å; T525-W529 PolarHBondContact O-N 2.99Å; T525-W529 VanDerWaalsContact O-N 3.09Å; T525-W529 WeakPolarHBondContact OG1-CH2 3.23Å; T525-W529 WeakPolarHBondContact OG1-CZ2 3.4Å; T525-W529 WeakPolarHBondContact OG1-CZ3 3.47Å; R526-W529 CarbonylContact O-C 3.59Å; R526-W529 PolarHBondContact O-N 3.41Å; E527-W529 VanDerWaalsContact C-N 3.32Å |
| 530 | R | 72.1 | Confident | 82.6 | Confident | 222 Ų | 222 | 103.7 Ų | 103.7 | 84% | 0.838 | 45% | 0.45 | S | S | * | . | | | trans | -97.4 | 6 | 169.5 | -76.9 | -176.7 | 174 | -176.8 | -1.2 | 112.9 | R526 | R526-R530 PolarHBondContact O-N 3.47Å; R526-R530 VanDerWaalsContact O-N 3.13Å |
| 531 | R | 56.3 | Low | 81.9 | Confident | 252 Ų | 252 | 103.1 Ų | 103.1 | 95% | 0.951 | 44% | 0.438 | S | S | * | . | | | trans | -111.9 | 0 | 166.1 | -57.4 | -172.3 | -171.9 | 99.9 | -0.3 | 107.9 | | |