| 1 | M | 45.8 | Very low | 51.5 | Low | 224 Ų | 224 | 145.4 Ų | 145.4 | 100% | 1.103 | 82% | 0.822 | S | S | * | * | | | | 0 | 162 | 0 | -68.1 | -177 | -76.1 | 0 | 0 | 108.5 | | |
| 2 | Y | 49.3 | Very low | 51.1 | Low | 218 Ų | 218 | 144 Ų | 144 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | 53 | 68.7 | 172.7 | -68.5 | -75.7 | 0 | 0 | 0 | 118 | | |
| 3 | L | 54.4 | Low | 50 | Low | 151 Ų | 151 | 147.5 Ų | 147.5 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | -159.8 | 45.9 | 139.9 | -110.5 | 170.2 | 0 | 0 | 0 | 110.4 | | |
| 4 | M | 53.5 | Low | 49.5 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -124.6 | 24.5 | -169.5 | -81.8 | -77.7 | 105.7 | 0 | 0 | 113.6 | | |
| 5 | N | 56.3 | Low | 48.8 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -145.2 | 66.8 | 176.8 | -81.2 | -49.2 | 0 | 0 | 0 | 110.9 | | |
| 6 | V | 52.6 | Low | 48.5 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | | | trans | -111 | 119.7 | 161.6 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 7 | P | 56.6 | Low | 48 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | | | trans | -61.5 | 138.2 | 179.4 | -23.5 | 34.1 | 0 | 0 | 0 | 111.3 | V9 | P7-V9 PolarHBondContact O-N 2.75Å; P7-V9 VanDerWaalsContact O-N 3.11Å |
| 8 | P | 57.6 | Low | 47.5 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -64.9 | 114.8 | 172.7 | 26.6 | -32.6 | 0 | 0 | 0 | 109.2 | A10 | P8-A10 PolarHBondContact O-N 3.34Å; P8-A10 VanDerWaalsContact O-N 3.17Å |
| 9 | V | 47.2 | Very low | 47.1 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -60.8 | 118.5 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | P7 A11 | P7-V9 PolarHBondContact O-N 2.75Å; P7-V9 VanDerWaalsContact O-N 3.11Å; V9-A11 PolarHBondContact O-N 3.39Å; V9-A11 VanDerWaalsContact O-N 3.11Å |
| 10 | A | 48.6 | Very low | 46.8 | Very low | 89 Ų | 89 | 151 Ų | 151 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -67.9 | 110.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P8 T12 | P8-A10 PolarHBondContact O-N 3.34Å; P8-A10 VanDerWaalsContact O-N 3.17Å; A10-T12 PolarHBondContact O-N 3.17Å |
| 11 | A | 44.2 | Very low | 46.5 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V9 E13 | V9-A11 PolarHBondContact O-N 3.39Å; V9-A11 VanDerWaalsContact O-N 3.11Å; A11-E13 PolarHBondContact O-N 2.7Å |
| 12 | T | 47.2 | Very low | 46.7 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 120.2 | 176 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | A10 T14 | A10-T12 PolarHBondContact O-N 3.17Å; T12-T14 PolarHBondContact O-N 2.99Å |
| 13 | E | 37.4 | Very low | 46 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 124.4 | 174.1 | -63.7 | -174.4 | 153.3 | 0 | 0 | 110.4 | A11 E15 | A11-E13 PolarHBondContact O-N 2.7Å; E13-E15 PolarHBondContact O-N 3.32Å; E13-E15 VanDerWaalsContact O-N 3.11Å |
| 14 | T | 41.8 | Very low | 45.1 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 98.3 | 170 | 38.9 | 0 | 0 | 0 | 0 | 109.2 | T12 W16 | T12-T14 PolarHBondContact O-N 2.99Å; T14-W16 PolarHBondContact O-N 3.11Å |
| 15 | E | 39.9 | Very low | 44 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | | | trans | -59.3 | 98.9 | 173.5 | -172.4 | -155 | 120.3 | 0 | 0 | 110.1 | E13 R17 | E13-E15 PolarHBondContact O-N 3.32Å; E13-E15 VanDerWaalsContact O-N 3.11Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.11Å; E15-R17 VanDerWaalsContact OE1-CD 3.3Å; E15-R17 WeakPolarHBondContact OE1-CD 3.3Å; E15-R17 IonicContact OE1-CZ 3.65Å; E15-R17 IonicContact OE1-NE 3.86Å; E15-R17 IonicContact OE1-NH1 2.7Å; E15-R17 PolarHBondContact OE1-NH1 3.27Å; E15-R17 IonicContact OE2-NH1 3.39Å; E15-R17 PolarHBondContact OE2-NH1 3.11Å |
| 16 | W | 43.3 | Very low | 42.8 | Very low | 230 Ų | 230 | 136 Ų | 136 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 94.3 | 165.3 | -77.3 | 90.5 | 0 | 0 | 0 | 109.2 | T14 R18 | T14-W16 PolarHBondContact O-N 3.11Å; W16-R18 PolarHBondContact O-N 3.21Å |
| 17 | R | 40.8 | Very low | 42.2 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | | | trans | -44.3 | 109.2 | 170.7 | -88.3 | -74.5 | -154.7 | -103.5 | 0.8 | 110.1 | E15 C19 | E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.11Å; E15-R17 VanDerWaalsContact OE1-CD 3.3Å; E15-R17 WeakPolarHBondContact OE1-CD 3.3Å; E15-R17 IonicContact OE1-CZ 3.65Å; E15-R17 IonicContact OE1-NE 3.86Å; E15-R17 IonicContact OE1-NH1 2.7Å; E15-R17 PolarHBondContact OE1-NH1 3.27Å; E15-R17 IonicContact OE2-NH1 3.39Å; E15-R17 PolarHBondContact OE2-NH1 3.11Å; R17-C19 PolarHBondContact O-N 2.88Å |
| 18 | R | 38.2 | Very low | 41.3 | Very low | 240 Ų | 240 | 139 Ų | 139 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -74.4 | 91.3 | 179.3 | -172.1 | -177.8 | -64.6 | 115.2 | 1 | 110 | W16 | W16-R18 PolarHBondContact O-N 3.21Š|
| 19 | C | 39.7 | Very low | 40.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 156.9 | 167.2 | -73.1 | 0 | 0 | 0 | 0 | 111.5 | R17 | R17-C19 PolarHBondContact O-N 2.88Š|
| 20 | G | 42.3 | Very low | 39.4 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 162.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 21 | T | 39.2 | Very low | 38.5 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 150 | -178.9 | 37.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 22 | P | 51.6 | Low | 37.8 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 149.6 | -173.3 | 34.3 | -36.8 | 0 | 0 | 0 | 114.3 | | |
| 23 | G | 33.3 | Very low | 37.2 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 179.8 | 139.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 24 | G | 35.3 | Very low | 37.3 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | cis | 163.7 | 146.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 25 | Y | 31.1 | Very low | 36.8 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | | | trans | 66.6 | 150.6 | -178.6 | -41.9 | -75.9 | 0 | 0 | 0 | 114.2 | | |
| 26 | S | 31.3 | Very low | 37.2 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | cis | -169.5 | 146.5 | -21 | 46 | 0 | 0 | 0 | 0 | 108.6 | | |
| 27 | L | 40 | Very low | 37.2 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -65.4 | 143.2 | 171 | -82.6 | 88.5 | 0 | 0 | 0 | 112.2 | | |
| 28 | P | 37 | Very low | 37.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -98.2 | 163.7 | 136.9 | 35.7 | -29.5 | 0 | 0 | 0 | 111.2 | | |
| 29 | V | 33 | Very low | 37 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | trans | -105.1 | 138.6 | -177.8 | 168 | 0 | 0 | 0 | 0 | 110.2 | | |
| 30 | C | 32.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | 48.8 | 128 | 166.3 | -61.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 31 | F | 29 | Very low | 36.8 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -149.5 | 121.1 | 133 | -112.2 | -75.4 | 0 | 0 | 0 | 110.5 | | |
| 32 | N | 29.5 | Very low | 37.2 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | | | trans | 22.3 | 142.5 | 159.7 | -56.1 | 2.9 | 0 | 0 | 0 | 122.8 | | |
| 33 | D | 35.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -59.1 | 165.9 | 151.2 | -65.3 | -72 | 0 | 0 | 0 | 113.2 | | |
| 34 | S | 40.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | 75.1 | 105 | -179.8 | -43.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 35 | D | 31.2 | Very low | 39.7 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | | -153.7 | 131.5 | 114.5 | -110.2 | -25.2 | 0 | 0 | 0 | 111.8 | E37 | D35-E37 PolarHBondContact O-N 2.89Š|
| 36 | T | 47.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -91.5 | 81.7 | -178.9 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 37 | E | 44.3 | Very low | 44.2 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -166.9 | 118.1 | 161.8 | -116.5 | 170.3 | -131.8 | 0 | 0 | 112.9 | D35 | D35-E37 PolarHBondContact O-N 2.89Š|
| 38 | L | 38.1 | Very low | 45.8 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | | | | 175.6 | 113.2 | 122.8 | -95.3 | 177 | 0 | 0 | 0 | 111 | | |
| 39 | S | 35.1 | Very low | 47.9 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -98 | 154.7 | 179.8 | -164.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 40 | T | 43.8 | Very low | 50.3 | Low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | | | trans | 56.9 | 100.2 | 159.6 | 50.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 41 | R | 35.7 | Very low | 52.8 | Low | 262 Ų | 262 | 135.5 Ų | 135.5 | 99% | 0.989 | 74% | 0.738 | S | S | * | * | | | | -162.4 | 115.1 | 129.2 | -152.8 | 175.2 | -174.7 | -176.3 | 1.7 | 112 | | |
| 42 | G | 45.9 | Very low | 55.5 | Low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | S | Bend | cis | 175.8 | 124 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 43 | T | 46.4 | Very low | 58.2 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | trans | -147.6 | 139.5 | 156.7 | 25.3 | 0 | 0 | 0 | 0 | 106.9 | I45 | T43-I45 PolarHBondContact O-N 2.98Š|
| 44 | P | 60.1 | Low | 60.1 | Low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 119.6 | 178.6 | 27.3 | -33 | 0 | 0 | 0 | 109.8 | S46 | P44-S46 PolarHBondContact O-N 3.48Š|
| 45 | I | 67.7 | Low | 62 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 49% | 0.487 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 128.6 | 172.6 | -64.9 | 178.1 | 0 | 0 | 0 | 107.5 | T43 V49 Q50 I53 | T43-I45 PolarHBondContact O-N 2.98Å; I45-V49 HydrophobicContact CG2-CB 3.66Å; I45-V49 HydrophobicContact CG2-CG1 3.64Å; I45-Q50 HydrophobicContact CG2-CB 4.22Å; I45-I53 HydrophobicContact CG2-CD1 4.48Å |
| 46 | S | 80.2 | Confident | 64.1 | Low | 71 Ų | 71 | 121.4 Ų | 121.4 | 50% | 0.497 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 140.4 | 179.3 | 175 | 0 | 0 | 0 | 0 | 110.5 | P44 K48 V49 Q50 | P44-S46 PolarHBondContact O-N 3.48Å; S46-K48 PolarHBondContact O-N 3.11Å; S46-V49 WeakPolarHBondContact O-CA 3.3Å; S46-V49 PolarHBondContact O-N 2.99Å; S46-Q50 PolarHBondContact O-N 3.48Å |
| 47 | N | 76.2 | Confident | 65.3 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -51.1 | -29.9 | 177.8 | -88.1 | 8.9 | 0 | 0 | 0 | 113.3 | M51 | N47-M51 WeakPolarHBondContact O-CB 3.48Å; N47-M51 PolarHBondContact O-N 3.26Å |
| 48 | K | 73.4 | Confident | 66.2 | Low | 162 Ų | 162 | 118.7 Ų | 118.7 | 70% | 0.704 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.8 | -43 | 173.2 | -67.2 | -169.1 | 176.1 | -170.8 | 0 | 112.3 | S46 I52 | S46-K48 PolarHBondContact O-N 3.11Å; K48-I52 WeakPolarHBondContact O-CB 3.31Å; K48-I52 WeakPolarHBondContact O-CD1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.17Å; K48-I52 PolarHBondContact O-N 2.89Å |
| 49 | V | 81.4 | Confident | 67 | Low | 71 Ų | 71 | 114.2 Ų | 114.2 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.1 | -36.9 | 178 | -180 | 0 | 0 | 0 | 0 | 110.6 | I45 S46 I52 I53 | I45-V49 HydrophobicContact CG2-CB 3.66Å; I45-V49 HydrophobicContact CG2-CG1 3.64Å; S46-V49 WeakPolarHBondContact O-CA 3.3Å; S46-V49 PolarHBondContact O-N 2.99Å; V49-I52 PolarHBondContact O-N 3.05Å; V49-I53 HydrophobicContact CG1-CD1 4Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.85Å |
| 50 | Q | 83.8 | Confident | 67.8 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.8 | -42.6 | 174.6 | -172.6 | 155 | -22 | 0 | 0 | 111.8 | I45 S46 I52 I53 E54 | I45-Q50 HydrophobicContact CG2-CB 4.22Å; S46-Q50 PolarHBondContact O-N 3.48Å; Q50-I52 VanDerWaalsContact C-N 3.31Å; Q50-I52 PolarHBondContact O-N 3.16Å; Q50-I53 PolarHBondContact O-N 3.42Å; Q50-E54 VanDerWaalsContact O-CB 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.39Å; Q50-E54 PolarHBondContact O-N 3.33Å |
| 51 | M | 84.5 | Confident | 68.1 | Low | 125 Ų | 125 | 115.2 Ų | 115.2 | 62% | 0.616 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.9 | -36.8 | 171.6 | -175.5 | -167.1 | -57.7 | 0 | 0 | 112.4 | N47 S55 | N47-M51 WeakPolarHBondContact O-CB 3.48Å; N47-M51 PolarHBondContact O-N 3.26Å; M51-S55 WeakPolarHBondContact O-CB 3.49Å; M51-S55 PolarHBondContact O-N 2.81Å |
| 52 | I | 86.3 | Confident | 68.6 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.4 | -45 | 173 | -72.7 | 162.1 | 0 | 0 | 0 | 111 | K48 V49 Q50 E54 S55 L56 | K48-I52 WeakPolarHBondContact O-CB 3.31Å; K48-I52 WeakPolarHBondContact O-CD1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.17Å; K48-I52 PolarHBondContact O-N 2.89Å; V49-I52 PolarHBondContact O-N 3.05Å; Q50-I52 VanDerWaalsContact C-N 3.31Å; Q50-I52 PolarHBondContact O-N 3.16Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 2.71Å; I52-S55 PolarHBondContact O-N 3.27Å; I52-L56 HydrophobicContact CG2-CD1 3.73Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 VanDerWaalsContact O-CB 3.32Å; I52-L56 WeakPolarHBondContact O-CB 3.1Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.26Å |
| 53 | I | 84.4 | Confident | 68.6 | Low | 62 Ų | 62 | 112.3 Ų | 112.3 | 32% | 0.318 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.1 | -40.8 | 176.5 | -70 | 163.1 | 0 | 0 | 0 | 111.1 | I45 V49 Q50 R57 | I45-I53 HydrophobicContact CG2-CD1 4.48Å; V49-I53 HydrophobicContact CG1-CD1 4Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.85Å; Q50-I53 PolarHBondContact O-N 3.42Å; I53-R57 WeakPolarHBondContact O-CB 3.22Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.32Å; I53-R57 PolarHBondContact O-N 3.17Å |
| 54 | E | 76.5 | Confident | 68.7 | Low | 133 Ų | 133 | 114.5 Ų | 114.5 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69 | -42.1 | 178.4 | -167.1 | 160.4 | -131.1 | 0 | 0 | 111.5 | Q50 I52 R57 S58 | Q50-E54 VanDerWaalsContact O-CB 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.39Å; Q50-E54 PolarHBondContact O-N 3.33Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 2.71Å; E54-R57 PolarHBondContact O-N 2.9Å; E54-S58 VanDerWaalsContact O-CB 3.28Å; E54-S58 WeakPolarHBondContact O-CB 3.28Å; E54-S58 PolarHBondContact O-N 3.37Å |
| 55 | S | 80.5 | Confident | 67.8 | Low | 78 Ų | 78 | 117.6 Ų | 117.6 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.8 | -38 | 173.5 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | M51 I52 S58 S59 | M51-S55 WeakPolarHBondContact O-CB 3.49Å; M51-S55 PolarHBondContact O-N 2.81Å; I52-S55 PolarHBondContact O-N 3.27Å; S55-S58 PolarHBondContact O-N 3.38Å; S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 2.81Å; S55-S59 VanDerWaalsContact O-OG 3.05Å |
| 56 | L | 75.6 | Confident | 66.4 | Low | 99 Ų | 99 | 116 Ų | 116 | 52% | 0.518 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.6 | -40 | 176.8 | -74.8 | 169.5 | 0 | 0 | 0 | 111.8 | I52 S59 Q60 | I52-L56 HydrophobicContact CG2-CD1 3.73Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 VanDerWaalsContact O-CB 3.32Å; I52-L56 WeakPolarHBondContact O-CB 3.1Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.26Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.31Å; L56-S59 PolarHBondContact O-OG 2.88Å; L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.44Å |
| 57 | R | 71.8 | Confident | 64.4 | Low | 179 Ų | 179 | 120.3 Ų | 120.3 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.3 | -42.4 | 172.5 | -75.2 | 173.2 | 174 | -164.6 | -5.3 | 111.7 | I53 E54 S59 Q60 S61 | I53-R57 WeakPolarHBondContact O-CB 3.22Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.32Å; I53-R57 PolarHBondContact O-N 3.17Å; E54-R57 PolarHBondContact O-N 2.9Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.98Å; R57-Q60 PolarHBondContact O-N 3.25Å; R57-S61 WeakPolarHBondContact O-CB 3.44Å; R57-S61 PolarHBondContact O-N 2.89Å |
| 58 | S | 64 | Low | 63.1 | Low | 85 Ų | 85 | 122.8 Ų | 122.8 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61 | -38.1 | 175.5 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | E54 S55 S61 | E54-S58 VanDerWaalsContact O-CB 3.28Å; E54-S58 WeakPolarHBondContact O-CB 3.28Å; E54-S58 PolarHBondContact O-N 3.37Å; S55-S58 PolarHBondContact O-N 3.38Å; S58-S61 PolarHBondContact O-N 3.45Å |
| 59 | S | 54.4 | Low | 61.6 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78.9 | -18.6 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | S55 L56 R57 | S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 2.81Å; S55-S59 VanDerWaalsContact O-OG 3.05Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.31Å; L56-S59 PolarHBondContact O-OG 2.88Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.98Å |
| 60 | Q | 52 | Low | 59.7 | Low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -82.7 | -22.8 | 168.4 | -74.3 | -173.2 | -41.2 | 0 | 0 | 112.4 | L56 R57 S62 | L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.44Å; R57-Q60 PolarHBondContact O-N 3.25Å; Q60-S62 PolarHBondContact O-N 2.93Å; Q60-S62 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 48.4 | Very low | 57.4 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 17.3 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 114.9 | R57 S58 | R57-S61 WeakPolarHBondContact O-CB 3.44Å; R57-S61 PolarHBondContact O-N 2.89Å; S58-S61 PolarHBondContact O-N 3.45Å |
| 62 | S | 46.4 | Very low | 54.9 | Low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 13 | -175.8 | -170 | 0 | 0 | 0 | 0 | 113.8 | Q60 | Q60-S62 PolarHBondContact O-N 2.93Å; Q60-S62 VanDerWaalsContact O-N 3.11Å |
| 63 | L | 46.4 | Very low | 52.4 | Low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -135.8 | 49.1 | 176.5 | -161.7 | 76.9 | 0 | 0 | 0 | 111 | | |
| 64 | E | 49.4 | Very low | 50.1 | Low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | -135.3 | 83.6 | 174.1 | -167.9 | 171.6 | -179.2 | 0 | 0 | 108.9 | | |
| 65 | M | 39.9 | Very low | 48.1 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | | | trans | -150.3 | 110.1 | 174.4 | -66.9 | -75.9 | -64.3 | 0 | 0 | 106.1 | | |
| 66 | G | 39.3 | Very low | 45.7 | Very low | 60 Ų | 60 | 134.6 Ų | 134.6 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | | | cis | 171.8 | 97.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E68 | G66-E68 PolarHBondContact O-N 3.47Å; G66-E68 VanDerWaalsContact O-N 3.15Å |
| 67 | D | 38.7 | Very low | 43.5 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -82.4 | 92.1 | -174.8 | -59.4 | -17.6 | 0 | 0 | 0 | 111.2 | I69 | D67-I69 PolarHBondContact O-N 2.97Š|
| 68 | E | 48.3 | Very low | 41.4 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -81.9 | 76 | -175.7 | 54.3 | -174.2 | -170.6 | 0 | 0 | 113.8 | G66 E70 | G66-E68 PolarHBondContact O-N 3.47Å; G66-E68 VanDerWaalsContact O-N 3.15Å; E68-E70 PolarHBondContact O-N 3.36Å |
| 69 | I | 41.9 | Very low | 39.7 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -64.6 | 100.7 | 171.5 | -56 | 176.4 | 0 | 0 | 0 | 110.1 | D67 A71 | D67-I69 PolarHBondContact O-N 2.97Å; I69-A71 PolarHBondContact O-N 3.4Å |
| 70 | E | 41.3 | Very low | 38.3 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -62.5 | 100.2 | 177.2 | -85.6 | -146.1 | 144.3 | 0 | 0 | 112.7 | E68 N72 | E68-E70 PolarHBondContact O-N 3.36Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.33Å; E70-N72 PolarHBondContact OE2-ND2 2.83Å |
| 71 | A | 34.8 | Very low | 37.4 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -75.2 | 75.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I69 M73 | I69-A71 PolarHBondContact O-N 3.4Å; A71-M73 PolarHBondContact O-N 3.25Å |
| 72 | N | 32.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -71 | 67.2 | 175.5 | -100.3 | -63.9 | 0 | 0 | 0 | 113.3 | E70 | E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.33Å; E70-N72 PolarHBondContact OE2-ND2 2.83Å |
| 73 | M | 34.4 | Very low | 35.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | | | trans | -92.8 | 108.6 | 173.7 | -90 | -75.2 | 178.2 | 0 | 0 | 111.6 | A71 S75 | A71-M73 PolarHBondContact O-N 3.25Å; M73-S75 PolarHBondContact O-N 3.2Å |
| 74 | L | 34.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -71.9 | 85.3 | 178.4 | -73.8 | 167.6 | 0 | 0 | 0 | 112.9 | G76 | L74-G76 PolarHBondContact O-N 3.39Š|
| 75 | S | 35.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -81.1 | 94.5 | 168.3 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | M73 | M73-S75 PolarHBondContact O-N 3.2Š|
| 76 | G | 29.8 | Very low | 33.3 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -82.2 | 161.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L74 | L74-G76 PolarHBondContact O-N 3.39Š|
| 77 | Q | 30.7 | Very low | 32.7 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | 69.7 | 141.7 | 176.3 | -75.5 | -177.4 | -18.7 | 0 | 0 | 116.4 | | |
| 78 | D | 27.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | | | cis | -153.7 | 160.8 | -10.4 | -167 | 16.2 | 0 | 0 | 0 | 110.7 | | |
| 79 | R | 26.8 | Very low | 31.5 | Very low | 211 Ų | 211 | 138.4 Ų | 138.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | 73.5 | 97 | 159.1 | -49.5 | -145.3 | 171 | -139.6 | -12.7 | 123.5 | | |
| 80 | H | 26.9 | Very low | 30.9 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | | | | 55.4 | 94.9 | 98.5 | -176.9 | -64.4 | 0 | 0 | 0 | 119.9 | | |
| 81 | T | 31.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | | | | -173.1 | 123.8 | 117.4 | 23.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 82 | Q | 29.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | | 79.3 | 103.3 | 69.7 | -167.2 | -167.7 | 22 | 0 | 0 | 114.4 | | |
| 83 | V | 29.8 | Very low | 30.2 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | | 178.4 | 144.3 | 123.2 | 150.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 84 | C | 25.8 | Very low | 30 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -111.3 | 152.7 | -170.3 | -41.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 85 | K | 31.8 | Very low | 29.8 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -174.7 | 128.4 | 138.2 | -95 | 145.6 | -174.6 | -178.6 | 0 | 107.9 | | |
| 86 | A | 28.2 | Very low | 29.5 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | | 74.7 | 128.2 | 51.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 87 | A | 27.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | cis | -167.1 | -175.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | V | 31.1 | Very low | 29.2 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 92% | 0.915 | 78% | 0.781 | S | S | * | * | | | trans | 85.3 | 121 | 159.9 | -166.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 89 | G | 30.7 | Very low | 29.3 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 174.3 | 121 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 90 | N | 29.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -125.2 | 143.5 | -153.2 | -129.7 | 15.6 | 0 | 0 | 0 | 115 | | |
| 91 | Y | 32.3 | Very low | 29.8 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 79 | 136 | 146 | -90.4 | -137.2 | 0 | 0 | 0 | 122.6 | | |
| 92 | V | 34.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 62.6 | 126.5 | 144.1 | 177.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 93 | G | 26.7 | Very low | 29.4 | Very low | 75 Ų | 75 | 143.5 Ų | 143.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | cis | 110.3 | 82.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 94 | A | 29.2 | Very low | 29.1 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -152 | 152.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 95 | K | 31.8 | Very low | 30 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -125.1 | 156.4 | 167.8 | -65.2 | -168.5 | 178.7 | -168.2 | 0 | 109.1 | | |
| 96 | L | 28.3 | Very low | 29.7 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 165.9 | 125.8 | 147.2 | -86.6 | 150.7 | 0 | 0 | 0 | 105.6 | | |
| 97 | K | 29.1 | Very low | 29.5 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | cis | 80.3 | 120.1 | 33.5 | -156.5 | -166.6 | -173.7 | -177.6 | 0 | 113.2 | | |
| 98 | T | 25.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | 118.1 | 122.6 | 145.4 | -45.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 99 | K | 29.8 | Very low | 29.1 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | 80.4 | 131.6 | 149.9 | -83 | 172.6 | -170.1 | -177.6 | 0 | 124 | | |
| 100 | R | 24.1 | Very low | 28.9 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -66.7 | 173.8 | 149.5 | -108.1 | -170.9 | -175.8 | -171.1 | 4.1 | 110.9 | | |
| 101 | P | 40.1 | Very low | 28.8 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | cis | -146.4 | -173.1 | 31.9 | 46 | -26.4 | 0 | 0 | 0 | 117.6 | | |
| 102 | T | 26.2 | Very low | 28.5 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | 43.2 | 117.5 | 146.4 | -55 | 0 | 0 | 0 | 0 | 120.7 | | |
| 103 | E | 25.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | | -166.1 | 175.5 | 108 | -137.7 | 141.1 | -127.3 | 0 | 0 | 112.2 | | |
| 104 | S | 22.6 | Very low | 28.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | -143.7 | -178.3 | 173.3 | 71.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 105 | P | 46.1 | Very low | 28.7 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | cis | -138.8 | -165 | 0.8 | 33 | -8.6 | 0 | 0 | 0 | 114.7 | | |
| 106 | H | 23.8 | Very low | 28.7 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | | | trans | 86.5 | 168.9 | 138.1 | -142 | -84.2 | 0 | 0 | 0 | 120.8 | | |
| 107 | V | 25.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | | | trans | 72.5 | 87.8 | 162.9 | -104.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 108 | H | 23.3 | Very low | 30 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | | | | 93.1 | 155.3 | 109.1 | -100.7 | -116.9 | 0 | 0 | 0 | 125.2 | | |
| 109 | F | 26.2 | Very low | 30.6 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 75% | 0.746 | 74% | 0.744 | S | S | * | * | | | trans | 75.9 | 83.2 | 152.6 | -68.6 | -53.6 | 0 | 0 | 0 | 121.1 | | |
| 110 | S | 27 | Very low | 31.4 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | | 25.1 | 130.2 | 106.4 | -36.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 111 | S | 27.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -164.1 | 82.5 | 135.9 | -80.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 112 | T | 25.4 | Very low | 33.4 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | | | | 43.6 | 132.6 | 117.2 | 58.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 113 | T | 28.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | | | trans | 69.6 | 141.5 | 138.9 | 59.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 114 | N | 31.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | | | cis | -161 | 162.4 | 10 | -116.3 | 2.3 | 0 | 0 | 0 | 112.4 | | |
| 115 | H | 35.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | trans | 22.1 | 141.2 | 139 | -73.5 | -82.2 | 0 | 0 | 0 | 120.3 | | |
| 116 | D | 32.3 | Very low | 41.7 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | cis | -164.5 | 170.1 | 24.8 | -110.4 | -31.9 | 0 | 0 | 0 | 112.2 | | |
| 117 | S | 36.9 | Very low | 44.9 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | | | trans | 49.4 | 110 | 160.6 | 57.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 118 | S | 47.5 | Very low | 47.9 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | | | | 71.1 | 98.9 | 69.8 | -60.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 119 | D | 39 | Very low | 51.2 | Low | 173 Ų | 173 | 118.3 Ų | 118.3 | 93% | 0.925 | 68% | 0.682 | S | S | * | * | | | trans | -161.4 | 59.5 | 155.3 | -103.7 | -19.1 | 0 | 0 | 0 | 108.9 | | |
| 120 | S | 45.7 | Very low | 54.3 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | | | trans | -107.3 | 100.7 | 171.5 | -73.2 | 0 | 0 | 0 | 0 | 109.3 | S122 | S120-S122 PolarHBondContact O-N 3.32Š|
| 121 | D | 52.7 | Low | 57.4 | Low | 178 Ų | 178 | 115 Ų | 115 | 95% | 0.952 | 66% | 0.659 | S | S | * | * | | | trans | -77.4 | 68.6 | -179.1 | -156 | 22.9 | 0 | 0 | 0 | 110 | | |
| 122 | S | 54.2 | Low | 60.4 | Low | 67 Ų | 67 | 115.8 Ų | 115.8 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | | | trans | -97.4 | 129.6 | -175.4 | -164.4 | 0 | 0 | 0 | 0 | 110.9 | S120 D124 | S120-S122 PolarHBondContact O-N 3.32Å; S122-D124 WeakPolarHBondContact CB-OD2 3.21Å; S122-D124 PolarHBondContact O-N 2.89Å; S122-D124 VanDerWaalsContact OG-CG 3.3Å; S122-D124 PolarHBondContact OG-OD2 3.45Å |
| 123 | D | 61.6 | Low | 63.5 | Low | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 5.2 | -175.3 | -82.5 | -52.8 | 0 | 0 | 0 | 114.3 | S125 V126 | D123-S125 PolarHBondContact O-N 3.03Å; D123-V126 PolarHBondContact O-N 3.04Å |
| 124 | D | 72.5 | Confident | 66.5 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -50 | -20.8 | -179 | -60.1 | -54.2 | 0 | 0 | 0 | 114.6 | S122 V126 R128 | S122-D124 WeakPolarHBondContact CB-OD2 3.21Å; S122-D124 PolarHBondContact O-N 2.89Å; S122-D124 VanDerWaalsContact OG-CG 3.3Å; S122-D124 PolarHBondContact OG-OD2 3.45Å; D124-V126 VanDerWaalsContact C-N 3.28Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-R128 VanDerWaalsContact O-CB 3.24Å; D124-R128 WeakPolarHBondContact O-CB 3.47Å; D124-R128 PolarHBondContact O-N 3.22Å |
| 125 | S | 75.4 | Confident | 69.2 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.5 | -29.8 | 173.5 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | D123 G129 | D123-S125 PolarHBondContact O-N 3.03Å; S125-G129 PolarHBondContact O-N 2.8Å |
| 126 | V | 84.8 | Confident | 71.8 | Confident | 83 Ų | 83 | 111.2 Ų | 111.2 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.6 | -49.7 | 176 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | D123 D124 R128 G129 I130 | D123-V126 PolarHBondContact O-N 3.04Å; D124-V126 VanDerWaalsContact C-N 3.28Å; D124-V126 PolarHBondContact O-N 3.41Å; V126-R128 PolarHBondContact O-N 2.95Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.13Å; V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 WeakPolarHBondContact O-CG1 3.23Å; V126-I130 PolarHBondContact O-N 3Å |
| 127 | D | 90.1 | Very high | 74.4 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -38.1 | -178.8 | -71.4 | -31.2 | 0 | 0 | 0 | 111.7 | G129 I130 E131 | D127-G129 VanDerWaalsContact C-N 3.32Å; D127-G129 PolarHBondContact O-N 2.88Å; D127-I130 CarbonylContact O-C 3.55Å; D127-I130 WeakPolarHBondContact O-CB 3.33Å; D127-I130 PolarHBondContact O-N 3.22Å; D127-I130 VanDerWaalsContact O-N 3.1Å; D127-E131 WeakPolarHBondContact O-CG 3.5Å; D127-E131 PolarHBondContact O-N 3.46Å |
| 128 | R | 89.3 | Confident | 76.9 | Confident | 173 Ų | 173 | 111.7 Ų | 111.7 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.9 | -37.7 | 170.4 | -179.4 | 152.4 | -69.2 | 164.1 | 5.4 | 112.9 | D124 V126 I130 E131 E132 | D124-R128 VanDerWaalsContact O-CB 3.24Å; D124-R128 WeakPolarHBondContact O-CB 3.47Å; D124-R128 PolarHBondContact O-N 3.22Å; V126-R128 PolarHBondContact O-N 2.95Å; R128-I130 VanDerWaalsContact C-N 3.31Å; R128-E131 PolarHBondContact O-N 3.04Å; R128-E132 WeakPolarHBondContact O-CB 3.3Å; R128-E132 PolarHBondContact O-N 3.35Å |
| 129 | G | 92.6 | Very high | 78.6 | Confident | 36 Ų | 36 | 114.5 Ų | 114.5 | 37% | 0.371 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67 | -32.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S125 V126 D127 A133 | S125-G129 PolarHBondContact O-N 2.8Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.13Å; D127-G129 VanDerWaalsContact C-N 3.32Å; D127-G129 PolarHBondContact O-N 2.88Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.69Å |
| 130 | I | 90.4 | Very high | 80.7 | Confident | 83 Ų | 83 | 111.3 Ų | 111.3 | 43% | 0.426 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.5 | -44.2 | 173.5 | -68.9 | 165.4 | 0 | 0 | 0 | 110.6 | V126 D127 R128 A133 I134 | V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 WeakPolarHBondContact O-CG1 3.23Å; V126-I130 PolarHBondContact O-N 3Å; D127-I130 CarbonylContact O-C 3.55Å; D127-I130 WeakPolarHBondContact O-CB 3.33Å; D127-I130 PolarHBondContact O-N 3.22Å; D127-I130 VanDerWaalsContact O-N 3.1Å; R128-I130 VanDerWaalsContact C-N 3.31Å; I130-A133 PolarHBondContact O-N 3.34Å; I130-I134 HydrophobicContact CG2-CD1 3.73Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CB 3.45Å; I130-I134 WeakPolarHBondContact O-CD1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 3.38Å |
| 131 | E | 92.3 | Very high | 82.1 | Confident | 113 Ų | 113 | 109.7 Ų | 109.7 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.2 | -47.8 | 173.4 | -72 | -177 | 147.9 | 0 | 0 | 111.6 | D127 R128 I134 M135 | D127-E131 WeakPolarHBondContact O-CG 3.5Å; D127-E131 PolarHBondContact O-N 3.46Å; R128-E131 PolarHBondContact O-N 3.04Å; E131-I134 PolarHBondContact O-N 3.06Å; E131-M135 WeakPolarHBondContact O-CG 3.47Å; E131-M135 PolarHBondContact O-N 3.1Å |
| 132 | E | 90.3 | Very high | 82.9 | Confident | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 178.1 | -172.2 | 168.7 | -158 | 0 | 0 | 111.6 | R128 I134 M135 E136 | R128-E132 WeakPolarHBondContact O-CB 3.3Å; R128-E132 PolarHBondContact O-N 3.35Å; E132-I134 VanDerWaalsContact C-N 3.34Å; E132-I134 PolarHBondContact O-N 3.28Å; E132-M135 PolarHBondContact O-N 3.29Å; E132-E136 WeakPolarHBondContact O-CB 3.48Å; E132-E136 PolarHBondContact O-N 3.1Å |
| 133 | A | 91.1 | Very high | 83.1 | Confident | 52 Ų | 52 | 105.2 Ų | 105.2 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G129 I130 Y137 | G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.69Å; I130-A133 PolarHBondContact O-N 3.34Å; A133-Y137 WeakPolarHBondContact O-CB 3.43Å; A133-Y137 PolarHBondContact O-N 2.78Å |
| 134 | I | 90.9 | Very high | 82.9 | Confident | 93 Ų | 93 | 102.7 Ų | 102.7 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 173.3 | -72.9 | 166.8 | 0 | 0 | 0 | 110.3 | I130 E131 E132 Y137 L138 | I130-I134 HydrophobicContact CG2-CD1 3.73Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CB 3.45Å; I130-I134 WeakPolarHBondContact O-CD1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 3.38Å; E131-I134 PolarHBondContact O-N 3.06Å; E132-I134 VanDerWaalsContact C-N 3.34Å; E132-I134 PolarHBondContact O-N 3.28Å; I134-Y137 PolarHBondContact O-N 3.12Å; I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.46Å; I134-L138 WeakPolarHBondContact O-CB 3.41Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.16Å |
| 135 | M | 89.1 | Confident | 82.2 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 61% | 0.606 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 175.6 | -72.1 | -172.3 | -69.2 | 0 | 0 | 112.1 | E131 E132 K139 | E131-M135 WeakPolarHBondContact O-CG 3.47Å; E131-M135 PolarHBondContact O-N 3.1Å; E132-M135 PolarHBondContact O-N 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.41Å; M135-K139 PolarHBondContact O-N 2.9Å |
| 136 | E | 89.1 | Confident | 81.1 | Confident | 141 Ų | 141 | 104 Ų | 104 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -47 | 175.1 | -174.9 | 173.7 | -139.4 | 0 | 0 | 111.2 | E132 L138 K139 E140 | E132-E136 WeakPolarHBondContact O-CB 3.48Å; E132-E136 PolarHBondContact O-N 3.1Å; E136-L138 PolarHBondContact O-N 3.2Å; E136-K139 PolarHBondContact O-N 3.4Å; E136-E140 WeakPolarHBondContact O-CB 3.5Å; E136-E140 PolarHBondContact O-N 2.95Å |
| 137 | Y | 88 | Confident | 79.2 | Confident | 135 Ų | 135 | 104.4 Ų | 104.4 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.9 | 177.8 | -100.5 | 0 | 0 | 0 | 112.6 | A133 I134 K141 | A133-Y137 WeakPolarHBondContact O-CB 3.43Å; A133-Y137 PolarHBondContact O-N 2.78Å; I134-Y137 PolarHBondContact O-N 3.12Å; Y137-K141 HydrophobicContact CD1-CG 4.31Å; Y137-K141 HydrophobicContact CD2-CG 4.33Å; Y137-K141 HydrophobicContact CE1-CG 3.97Å; Y137-K141 HydrophobicContact CE2-CD 4.29Å; Y137-K141 VanDerWaalsContact CE2-CE 3.44Å; Y137-K141 HydrophobicContact CE2-CG 4Å; Y137-K141 HydrophobicContact CG-CG 4.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 WeakPolarHBondContact O-CG 3.3Å; Y137-K141 PolarHBondContact O-N 3.47Å; Y137-K141 WeakPolarHBondContact OH-CE 3.29Å |
| 138 | L | 87.6 | Confident | 76.5 | Confident | 108 Ų | 108 | 104.4 Ų | 104.4 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 174.5 | -73 | 169.4 | 0 | 0 | 0 | 111 | I134 E136 K141 D142 | I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.46Å; I134-L138 WeakPolarHBondContact O-CB 3.41Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.16Å; E136-L138 PolarHBondContact O-N 3.2Å; L138-K141 PolarHBondContact O-N 2.82Å; L138-D142 PolarHBondContact O-N 3.5Å |
| 139 | K | 84.9 | Confident | 73.7 | Confident | 173 Ų | 173 | 98.3 Ų | 98.3 | 75% | 0.752 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 177.8 | -173.1 | 177.1 | -177.9 | 178.5 | 0 | 113 | M135 E136 G143 | M135-K139 WeakPolarHBondContact O-CB 3.41Å; M135-K139 PolarHBondContact O-N 2.9Å; E136-K139 PolarHBondContact O-N 3.4Å; K139-G143 PolarHBondContact O-N 2.79Å |
| 140 | E | 82.8 | Confident | 71.2 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.9 | -169.4 | -159.1 | -140.3 | 0 | 0 | 111.2 | E136 G143 H144 | E136-E140 WeakPolarHBondContact O-CB 3.5Å; E136-E140 PolarHBondContact O-N 2.95Å; E140-G143 PolarHBondContact O-N 3.37Å; E140-H144 PolarHBondContact O-CD2 3.2Å |
| 141 | K | 73.8 | Confident | 68.4 | Low | 83 Ų | 83 | 103.8 Ų | 103.8 | 36% | 0.361 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71 | -37 | -179 | -72.5 | -71.1 | 162.5 | -71.1 | 0 | 113.6 | Y137 L138 G143 | Y137-K141 HydrophobicContact CD1-CG 4.31Å; Y137-K141 HydrophobicContact CD2-CG 4.33Å; Y137-K141 HydrophobicContact CE1-CG 3.97Å; Y137-K141 HydrophobicContact CE2-CD 4.29Å; Y137-K141 VanDerWaalsContact CE2-CE 3.44Å; Y137-K141 HydrophobicContact CE2-CG 4Å; Y137-K141 HydrophobicContact CG-CG 4.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 WeakPolarHBondContact O-CG 3.3Å; Y137-K141 PolarHBondContact O-N 3.47Å; Y137-K141 WeakPolarHBondContact OH-CE 3.29Å; L138-K141 PolarHBondContact O-N 2.82Å; K141-G143 VanDerWaalsContact C-N 3.32Å |
| 142 | D | 70.8 | Confident | 65.5 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.7 | -32 | 175.7 | -130.9 | 28.9 | 0 | 0 | 0 | 111.6 | L138 H144 C1027 | L138-D142 PolarHBondContact O-N 3.5Å; D142-H144 VanDerWaalsContact C-N 3.3Å; D142-H144 PolarHBondContact O-N 2.92Å; D142-C1027 VanDerWaalsContact O-CB 3.31Å; D142-C1027 WeakPolarHBondContact O-CB 3.4Å |
| 143 | G | 59 | Low | 62.6 | Low | 29 Ų | 29 | 103.4 Ų | 103.4 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -51.1 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K139 E140 K141 K145 E1028 S1029 | K139-G143 PolarHBondContact O-N 2.79Å; E140-G143 PolarHBondContact O-N 3.37Å; K141-G143 VanDerWaalsContact C-N 3.32Å; G143-K145 VanDerWaalsContact C-N 3.26Å; G143-K145 PolarHBondContact O-N 3.49Å; G143-E1028 CarbonylContact O-C 2.89Å; G143-E1028 VanDerWaalsContact O-CA 3.28Å; G143-E1028 WeakPolarHBondContact O-CA 3.27Å; G143-E1028 PolarHBondContact O-N 2.66Å; G143-S1029 PolarHBondContact O-N 3.27Å |
| 144 | H | 56.9 | Low | 59.8 | Low | 79 Ų | 79 | 105 Ų | 105 | 37% | 0.366 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | 9.5 | -167.5 | -68 | -44.6 | 0 | 0 | 0 | 117.9 | E140 D142 S1029 D1030 | E140-H144 PolarHBondContact O-CD2 3.2Å; D142-H144 VanDerWaalsContact C-N 3.3Å; D142-H144 PolarHBondContact O-N 2.92Å; H144-S1029 WeakPolarHBondContact O-CA 3.37Å; H144-D1030 PolarHBondContact O-N 3Å |
| 145 | K | 57.8 | Low | 57 | Low | 159 Ų | 159 | 108.1 Ų | 108.1 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -20.9 | -157.7 | -79.2 | -72 | -176.1 | 175.5 | 0 | 120.9 | G143 C1027 | G143-K145 VanDerWaalsContact C-N 3.26Å; G143-K145 PolarHBondContact O-N 3.49Å; K145-C1027 HydrophobicContact CB-CB 4.01Å |
| 146 | R | 51.9 | Low | 54.3 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 24% | 0.242 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -135.4 | 156.2 | -175.7 | 174.8 | -156.6 | 63.4 | 158.2 | -2.8 | 112 | S1025 D1026 C1027 E1028 S1029 | R146-S1025 PolarHBondContact NH1-O 3.04Å; R146-D1026 IonicContact CZ-OD1 3.83Å; R146-D1026 IonicContact CZ-OD2 2.89Å; R146-D1026 VanDerWaalsContact NH1-CG 3.35Å; R146-D1026 IonicContact NH1-OD1 3.61Å; R146-D1026 PolarHBondContact NH1-OD1 3.2Å; R146-D1026 IonicContact NH1-OD2 3.08Å; R146-D1026 IonicContact NH2-OD1 3.96Å; R146-D1026 PolarHBondContact NH2-OD1 2.71Å; R146-D1026 IonicContact NH2-OD2 3.95Å; R146-D1026 PolarHBondContact NH2-OD2 3.4Å; R146-C1027 HydrophobicContact CB-CB 4.38Å; R146-C1027 WeakPolarHBondContact CB-O 3.25Å; R146-C1027 WeakPolarHBondContact CB-SG 3.39Å; R146-C1027 PolarHBondContact NE-O 2.7Å; R146-C1027 PolarHBondContact NH2-O 2.97Å; R146-E1028 CarbonylContact O-C 3.59Å; R146-E1028 WeakPolarHBondContact O-CA 3.28Å; R146-S1029 WeakPolarHBondContact O-CA 3.22Å; R146-S1029 WeakPolarHBondContact O-CB 2.97Å; R146-S1029 PolarHBondContact O-N 2.91Å; R146-S1029 PolarHBondContact O-OG 2.84Å; R146-S1029 VanDerWaalsContact O-OG 3.07Å |
| 147 | K | 44.1 | Very low | 51.5 | Low | 93 Ų | 93 | 109 Ų | 109 | 40% | 0.404 | 60% | 0.599 | S | S | . | * | | | trans | 66.9 | 95.5 | 176.4 | -45.7 | -164.8 | -146.9 | 144.2 | 0 | 119.3 | E1028 S1029 | K147-E1028 HydrophobicContact CB-CG 4.24Å; K147-E1028 WeakPolarHBondContact CB-OE1 3.35Å; K147-E1028 WeakPolarHBondContact CD-OE2 3.27Å; K147-E1028 VanDerWaalsContact CE-OE2 3.28Å; K147-E1028 WeakPolarHBondContact CE-OE2 3.35Å; K147-E1028 IonicContact NZ-OE2 3.67Å; K147-E1028 PolarHBondContact NZ-OE2 3.36Å; K147-S1029 WeakPolarHBondContact O-CB 3.45Å; K147-S1029 PolarHBondContact O-OG 3.18Å; K147-S1029 VanDerWaalsContact O-OG 3.12Å |
| 148 | A | 34 | Very low | 49 | Very low | 98 Ų | 98 | 106.8 Ų | 106.8 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | | | | -83.6 | 108.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 149 | G | 31.1 | Very low | 46.2 | Very low | 45 Ų | 45 | 109.8 Ų | 109.8 | 46% | 0.464 | 61% | 0.612 | S | S | . | * | | | trans | -120.9 | -52.3 | -162 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 150 | T | 38.8 | Very low | 44 | Very low | 144 Ų | 144 | 108.2 Ų | 108.2 | 88% | 0.883 | 61% | 0.61 | S | S | * | * | | | trans | 61.9 | 149.5 | -174 | 39.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 151 | S | 32 | Very low | 42.2 | Very low | 90 Ų | 90 | 107.7 Ų | 107.7 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | | | cis | -170.4 | 148.2 | -7.7 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 152 | S | 32.8 | Very low | 40.1 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | | | trans | 61.8 | 150.7 | 149.4 | 63.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 153 | T | 28.8 | Very low | 38.2 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 81% | 0.81 | 65% | 0.651 | S | S | * | * | | | cis | -176.3 | 161.7 | -10.8 | 28.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 154 | S | 32.8 | Very low | 36.7 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | | | cis | 178.5 | -178.1 | -17.1 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 155 | H | 31.2 | Very low | 36.3 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 73% | 0.731 | 69% | 0.69 | S | S | * | * | | | trans | 74.1 | 150.2 | 163.8 | -58.6 | -63.7 | 0 | 0 | 0 | 119.4 | | |
| 156 | Q | 33.4 | Very low | 34.8 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | | | cis | -173.9 | 150.7 | -30.5 | -149.7 | 177.6 | 43 | 0 | 0 | 110.3 | | |
| 157 | S | 28.5 | Very low | 34 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | -162.7 | 172 | 148 | 74.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 158 | S | 35.3 | Very low | 33.1 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | | | | -163.7 | 150.3 | -84 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 159 | K | 29.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | | -179.8 | 132.9 | 73.3 | -82.7 | -178 | -176.1 | 161.3 | 0 | 110.1 | | |
| 160 | I | 37.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | | 75.9 | 146.2 | 105.1 | -63.3 | 172.2 | 0 | 0 | 0 | 114.9 | | |
| 161 | P | 46.3 | Very low | 31.9 | Very low | 95 Ų | 95 | 135 Ų | 135 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | | | cis | -136.3 | 146 | 12.1 | 24.4 | 0.1 | 0 | 0 | 0 | 119.8 | | |
| 162 | R | 28.5 | Very low | 31.8 | Very low | 231 Ų | 231 | 138.9 Ų | 138.9 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | | | trans | 67.2 | 149.2 | 134.8 | -62 | 168.8 | 177.6 | 144 | -2.1 | 118.5 | | |
| 163 | K | 32.7 | Very low | 31.6 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | | | cis | -140.8 | 161 | 30.2 | -120.1 | 155.7 | -175.5 | 176.6 | 0 | 112.6 | | |
| 164 | N | 27.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | -101.5 | 175.7 | -174 | -108.6 | -4.3 | 0 | 0 | 0 | 111.9 | | |
| 165 | P | 47.9 | Very low | 31.4 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | cis | -149.5 | 156.6 | 37 | 41.6 | -20.2 | 0 | 0 | 0 | 122.1 | | |
| 166 | L | 26.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | | | | 7 | 150 | 129.1 | -62.7 | 171.9 | 0 | 0 | 0 | 119.9 | | |
| 167 | P | 34.3 | Very low | 31.1 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | cis | -126.2 | 163.3 | 47.2 | 12.7 | 12.8 | 0 | 0 | 0 | 115.1 | | |
| 168 | F | 26.6 | Very low | 31.2 | Very low | 154 Ų | 154 | 142 Ų | 142 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | cis | 100 | 98 | 38.2 | -158.7 | -101.6 | 0 | 0 | 0 | 114.2 | | |
| 169 | E | 24.8 | Very low | 31 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | | | trans | 56.9 | 121.1 | 130.4 | -157 | -178.7 | -91.8 | 0 | 0 | 121.9 | | |
| 170 | F | 25.9 | Very low | 31 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | | | | -165.1 | 164.4 | 109.5 | -129 | -100.4 | 0 | 0 | 0 | 113.4 | | |
| 171 | A | 27.9 | Very low | 30.7 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | | | trans | -134.6 | 160.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 172 | K | 28.9 | Very low | 29.9 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | | | trans | 72.6 | 140.2 | 154.4 | -87.6 | -178.7 | 171.5 | -176.9 | 0 | 121.4 | | |
| 173 | Q | 29.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | 67.5 | 169.5 | 149.2 | -65.6 | 168.1 | -65 | 0 | 0 | 114.8 | | |
| 174 | H | 26.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | cis | -139.9 | -167.8 | 14.4 | -41.6 | -109.3 | 0 | 0 | 0 | 109.3 | | |
| 175 | S | 30.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | cis | -165.7 | 148.5 | -2.6 | 129 | 0 | 0 | 0 | 0 | 108 | | |
| 176 | E | 27.6 | Very low | 29.2 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | | | | -169 | 129.3 | 121.3 | -106.6 | 167.8 | -157.8 | 0 | 0 | 110.2 | | |
| 177 | G | 28.8 | Very low | 29.4 | Very low | 54 Ų | 54 | 138.5 Ų | 138.5 | 56% | 0.557 | 75% | 0.754 | S | S | * | * | | | cis | -177 | -169.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 178 | N | 31.4 | Very low | 29.9 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | trans | 80.1 | 130.7 | 163.5 | -57.3 | -16.6 | 0 | 0 | 0 | 120.6 | | |
| 179 | S | 30.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 70.9 | 135.5 | 152.3 | -163.6 | 0 | 0 | 0 | 0 | 119 | | |
| 180 | S | 31.2 | Very low | 30.4 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | cis | -162.6 | 143.5 | -15.2 | -89.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 181 | F | 30.2 | Very low | 30.6 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 39.3 | 131.9 | 148.8 | -68.7 | -67.9 | 0 | 0 | 0 | 124.2 | | |
| 182 | I | 29.4 | Very low | 30.7 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | 74.6 | 149.1 | 140.3 | -67.2 | 166.4 | 0 | 0 | 0 | 117.9 | | |
| 183 | S | 27.9 | Very low | 30.8 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | cis | -175.4 | 147.1 | -34.6 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 184 | S | 27.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | trans | 64.6 | 165.5 | 165.4 | 79.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 185 | G | 31.7 | Very low | 31 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -172.2 | -57.5 | -179 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 186 | K | 35.9 | Very low | 31.6 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | 73.9 | 133 | -177.2 | -53.9 | 174.5 | 179.6 | 173.7 | 0 | 118.1 | | |
| 187 | F | 30.2 | Very low | 31.7 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -20.3 | 163.5 | 136.8 | -63.5 | -71.4 | 0 | 0 | 0 | 117.1 | | |
| 188 | P | 45.7 | Very low | 31.6 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -155.8 | -176.8 | 38.3 | 43 | -20.8 | 0 | 0 | 0 | 120.4 | | |
| 189 | V | 30.4 | Very low | 31.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | 71 | 139.8 | 140.9 | 146.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 190 | S | 30.4 | Very low | 31.2 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | cis | -174.6 | 162.7 | -8.3 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 191 | V | 30.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | 53.4 | 140.2 | 134.8 | 167.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 192 | K | 30.3 | Very low | 31.6 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | cis | -169.3 | 153 | -18.6 | -97.6 | -179 | -176.4 | 177.6 | 0 | 106.8 | | |
| 193 | S | 29.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | 58.7 | 162.6 | 147.9 | 56 | 0 | 0 | 0 | 0 | 122.6 | | |
| 194 | E | 30.2 | Very low | 33.1 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 93.3 | 96.7 | 151.3 | -150.3 | 149.5 | -142.2 | 0 | 0 | 119.8 | | |
| 195 | T | 31.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | -77.1 | 156.5 | 151 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 196 | P | 43.8 | Very low | 34.2 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | | -160.2 | -161.5 | 51 | 45.2 | -22.4 | 0 | 0 | 0 | 117.8 | | |
| 197 | I | 29.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 133 Ų | 133 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | 78.4 | 105.9 | 153.4 | -71.5 | 171.3 | 0 | 0 | 0 | 119.8 | | |
| 198 | T | 26.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | | 59.5 | 127.1 | 121.5 | -45.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 199 | A | 26.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | 71.1 | 117.6 | 148 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 200 | A | 27.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | | | | 69 | 163.2 | 129.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 201 | A | 28.8 | Very low | 35.2 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | 77.5 | 96.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 202 | I | 39.4 | Very low | 35.5 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | | | | -27.8 | 166.8 | 124.1 | 32.7 | 168.3 | 0 | 0 | 0 | 115.1 | | |
| 203 | P | 54.8 | Low | 35.9 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | cis | -149 | -162.5 | 28.5 | 28.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 204 | L | 35.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | 85.9 | 143.8 | 159 | -47.2 | 171.8 | 0 | 0 | 0 | 116 | | |
| 205 | K | 38.4 | Very low | 36.2 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 81% | 0.809 | 73% | 0.73 | S | S | * | * | | | cis | -147.1 | 163.5 | 22.1 | -63.3 | 168.7 | -176.2 | 167.5 | 0 | 110.5 | | |
| 206 | K | 43.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 54% | 0.539 | 73% | 0.729 | S | S | . | * | | | cis | -178.7 | 163.8 | -19.2 | -99.3 | 168.4 | 152.3 | -165.4 | 0 | 108.1 | | |
| 207 | Y | 35.8 | Very low | 35.9 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | | | trans | 78.4 | 141.6 | 161.4 | -48.7 | -59.7 | 0 | 0 | 0 | 117.2 | | |
| 208 | I | 39.1 | Very low | 36.2 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | | | cis | -155.4 | 138 | 0.6 | -130.6 | 164.3 | 0 | 0 | 0 | 114.4 | | |
| 209 | K | 35.3 | Very low | 36.3 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | | | trans | 66.2 | 131.7 | 143.3 | -157.8 | 175.5 | -174.9 | -178 | 0 | 121.1 | | |
| 210 | N | 39 | Very low | 36.6 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | cis | -172.6 | 155.7 | -19.3 | -111.1 | 5.4 | 0 | 0 | 0 | 113 | | |
| 211 | K | 43.5 | Very low | 36.8 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | | | trans | 66 | 127.9 | 153.2 | -69.9 | -78.9 | -176.9 | 177.5 | 0 | 117.2 | | |
| 212 | A | 37.6 | Very low | 37.1 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | | | cis | -142.1 | -156.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 213 | S | 38.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | cis | -163.3 | 167.7 | 7 | -124.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 214 | R | 33.3 | Very low | 35.8 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | | | cis | -141 | -90 | -6.1 | -149.9 | -143 | 100 | -162.1 | 2.2 | 110.6 | | |
| 215 | D | 32.3 | Very low | 36 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | | | trans | -166.7 | 179.6 | -163.4 | -56 | 53.3 | 0 | 0 | 0 | 105.6 | | |
| 216 | E | 35.5 | Very low | 35.9 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | | | cis | 177.5 | 164.3 | -31 | -85.8 | -59.5 | -87.4 | 0 | 0 | 105.1 | | |
| 217 | N | 33.9 | Very low | 35.3 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | | | cis | 176.6 | 171.6 | -28.1 | -164.8 | -7 | 0 | 0 | 0 | 108.2 | | |
| 218 | I | 36.3 | Very low | 35.2 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | | | trans | 71.5 | 144.1 | 162.1 | -64.3 | 167.2 | 0 | 0 | 0 | 118 | | |
| 219 | E | 27.9 | Very low | 34.8 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | | | cis | -173 | 148.9 | -25 | -102 | -175.3 | 89.9 | 0 | 0 | 110 | | |
| 220 | V | 33.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | | | trans | 69.7 | 148.4 | 146.8 | 169.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 221 | D | 31.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 120 Ų | 120 | 58% | 0.583 | 66% | 0.663 | S | S | * | * | | | cis | -156.3 | 172.7 | 16.1 | -138.4 | -22.1 | 0 | 0 | 0 | 113.9 | | |
| 222 | K | 34.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 118.6 Ų | 118.6 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | | | trans | 17.5 | 153.7 | 149 | -69.3 | 151 | -161.5 | 141 | 0 | 123.5 | | |
| 223 | S | 34.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | cis | 178.5 | 120.1 | -13.5 | 55.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 224 | S | 33.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 120.4 Ų | 120.4 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | | | trans | 50.1 | 175.3 | 161.8 | 73.2 | 0 | 0 | 0 | 0 | 122.2 | D1008 | S224-D1008 WeakPolarHBondContact CB-OD2 3.3Å; S224-D1008 PolarHBondContact OG-OD2 3.26Å |
| 225 | A | 38.7 | Very low | 31.7 | Very low | 45 Ų | 45 | 119.2 Ų | 119.2 | 37% | 0.372 | 64% | 0.637 | S | S | . | * | | | cis | 176.2 | 115.8 | 49.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | M1007 D1008 | A225-M1007 HydrophobicContact CB-CE 4.33Å; A225-D1008 WeakPolarHBondContact CA-OD1 3.44Å; A225-D1008 WeakPolarHBondContact CB-OD1 3.39Å |
| 226 | N | 36.7 | Very low | 31.5 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 40% | 0.401 | 64% | 0.644 | S | S | . | * | | | trans | 164.8 | 80.4 | 135.4 | -94.8 | -86.4 | 0 | 0 | 0 | 124.2 | M1007 D1008 | N226-M1007 WeakPolarHBondContact ND2-CE 3.47Å; N226-M1007 PolarHBondContact ND2-SD 3.49Å; N226-M1007 VanDerWaalsContact OD1-CB 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CB 3.38Å; N226-M1007 VanDerWaalsContact OD1-CG 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CG 3.37Å; N226-M1007 PolarHBondContact OD1-SD 3.16Å; N226-D1008 PolarHBondContact N-OD1 3.2Å |
| 227 | S | 30.8 | Very low | 31.1 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | | | trans | 67.3 | 102.3 | 132.9 | -169 | 0 | 0 | 0 | 0 | 126 | D1008 | S227-D1008 WeakPolarHBondContact CA-O 3.41Å; S227-D1008 PolarHBondContact N-O 3.45Å |
| 228 | L | 32.7 | Very low | 31.4 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 76% | 0.759 | 65% | 0.645 | S | S | * | * | | | | 19.9 | 120.4 | 124 | -103 | 173.4 | 0 | 0 | 0 | 122 | | |
| 229 | L | 31.6 | Very low | 31.2 | Very low | 146 Ų | 146 | 117 Ų | 117 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | | | | 156.8 | 127.4 | 110.9 | -91.4 | 167.7 | 0 | 0 | 0 | 117.8 | | |
| 230 | S | 26.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | | | trans | 29.8 | 138.6 | 143.2 | -54.5 | 0 | 0 | 0 | 0 | 125.5 | | |
| 231 | S | 28.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | | | | 179 | 131.3 | 108.9 | -104.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 232 | E | 28.5 | Very low | 31 | Very low | 167 Ų | 167 | 113.3 Ų | 113.3 | 78% | 0.78 | 63% | 0.625 | S | S | * | * | | | trans | 60 | 133.3 | 131.6 | -65.6 | 170.5 | 112.3 | 0 | 0 | 124.9 | | |
| 233 | E | 27.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 113.9 Ų | 113.9 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | | | trans | 70.7 | 148.4 | 148.5 | -53.6 | -103.3 | 89.5 | 0 | 0 | 119 | | |
| 234 | Q | 27.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 42% | 0.416 | 62% | 0.62 | S | S | . | * | | | cis | -161.6 | 150.8 | -6.1 | -121.2 | -170.6 | 24.7 | 0 | 0 | 118.9 | E271 | Q234-E271 PolarHBondContact N-OE2 2.92Š|
| 235 | W | 24 | Very low | 30.2 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | | | trans | 64.8 | 137.1 | 149.7 | -75.7 | 19.6 | 0 | 0 | 0 | 123 | I274 | W235-I274 WeakPolarHBondContact O-CD1 3.34Š|
| 236 | K | 27.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | | | trans | 49.5 | 123.8 | 138.9 | -62.2 | 171.9 | -176.1 | 160.3 | 0 | 121.6 | | |
| 237 | S | 28.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | | | trans | -71.3 | -175.9 | 167.3 | 6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 238 | P | 40.1 | Very low | 29 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | | | cis | -131.5 | -177.9 | -22.9 | 36.4 | -17.5 | 0 | 0 | 0 | 114 | Y277 | P238-Y277 WeakPolarHBondContact O-CE1 3.44Å; P238-Y277 PolarHBondContact O-OH 3.4Å; P238-Y277 VanDerWaalsContact O-OH 3.14Å |
| 239 | S | 30.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | | | trans | -77.6 | 158.3 | -161.5 | -38.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 240 | E | 27.5 | Very low | 28.6 | Very low | 89 Ų | 89 | 128 Ų | 128 | 42% | 0.416 | 67% | 0.674 | S | S | . | * | | | trans | -150.9 | 156.3 | 161.6 | -56.5 | 178.9 | 67.5 | 0 | 0 | 110.4 | Y277 K281 | E240-Y277 HydrophobicContact CB-CD2 4.47Å; E240-Y277 HydrophobicContact CB-CE2 3.75Å; E240-Y277 HydrophobicContact CG-CE2 4.01Å; E240-Y277 VanDerWaalsContact N-CD2 3.31Å; E240-Y277 WeakPolarHBondContact O-CD2 3.27Å; E240-Y277 PolarHBondContact OE2-OH 3.5Å; E240-K281 IonicContact OE2-NZ 2.79Å; E240-K281 PolarHBondContact OE2-NZ 3.2Å |
| 241 | T | 31.5 | Very low | 28.4 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 54% | 0.54 | 68% | 0.681 | S | S | . | * | | | cis | -160.4 | 83.3 | -33.5 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | E280 | T241-E280 PolarHBondContact N-OE1 2.92Š|
| 242 | M | 30.8 | Very low | 29.3 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 64% | 0.64 | 68% | 0.682 | S | S | * | * | | | trans | 76.1 | 139.7 | 140.3 | -154.1 | -150.1 | -59.1 | 0 | 0 | 121.7 | E280 | M242-E280 PolarHBondContact N-OE1 2.91Å; M242-E280 VanDerWaalsContact N-OE1 3.16Å |
| 243 | R | 27.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | | | trans | 79.9 | 157.1 | 162.1 | -36.5 | 178.8 | -163.4 | 152.3 | 4.1 | 116.7 | | |
| 244 | F | 28.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | | | cis | -137.6 | 165.1 | 6.9 | -81.7 | -81.4 | 0 | 0 | 0 | 109 | | |
| 245 | F | 28.4 | Very low | 29.8 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | | | | -173.3 | 174.6 | 70.3 | -94.2 | -77 | 0 | 0 | 0 | 113.3 | | |
| 246 | N | 27.3 | Very low | 30 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | trans | -68.7 | 163.9 | 177.1 | -43.7 | -73.9 | 0 | 0 | 0 | 111.9 | | |
| 247 | S | 26.3 | Very low | 30.3 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | cis | 179 | 150.2 | 44 | 57.3 | 0 | 0 | 0 | 0 | 115 | | |
| 248 | T | 28.7 | Very low | 30.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | | | trans | 73 | 129.6 | 138.5 | -54.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 249 | L | 28.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | | | trans | 85.1 | 113.9 | 156.1 | -111.5 | 71.5 | 0 | 0 | 0 | 123.4 | | |
| 250 | T | 25.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | trans | 39.5 | 119.1 | 136.5 | 55.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 251 | Y | 23.7 | Very low | 31.9 | Very low | 223 Ų | 223 | 139.5 Ų | 139.5 | 88% | 0.875 | 71% | 0.71 | S | S | * | * | | | | 22.3 | 155.4 | 124 | -69.5 | -66.3 | 0 | 0 | 0 | 122.2 | | |
| 252 | P | 47.4 | Very low | 32.4 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | cis | -138.9 | -155 | -18.8 | 36.7 | -14.5 | 0 | 0 | 0 | 113.2 | | |
| 253 | V | 25.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | 105.6 | 133.9 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 254 | M | 28.5 | Very low | 33.9 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | | | trans | -106.2 | 156.6 | 173.1 | -54.2 | -114.5 | 68.9 | 0 | 0 | 109.3 | | |
| 255 | P | 40.1 | Very low | 34.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | | | | -157.6 | 140.5 | 97 | 36.6 | -17 | 0 | 0 | 0 | 118 | | |
| 256 | K | 27.8 | Very low | 35.7 | Very low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 73% | 0.732 | S | S | * | * | | | trans | 62.1 | 168.2 | 148.3 | -53.9 | 178.1 | 173.6 | -166.4 | 0 | 116.8 | | |
| 257 | M | 32.7 | Very low | 36.6 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | cis | -149.7 | 166.3 | 9.8 | 66 | -159.5 | -166.2 | 0 | 0 | 112.1 | | |
| 258 | E | 37.1 | Very low | 38.2 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | trans | 34.8 | 123.8 | 138.7 | -74.9 | 164.5 | 160.8 | 0 | 0 | 120.1 | | |
| 259 | E | 44.5 | Very low | 39.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 55% | 0.551 | 71% | 0.706 | S | S | * | * | | | cis | 66.8 | 115 | 24.2 | -42.4 | -175.3 | 98.1 | 0 | 0 | 112.7 | D1013 Q1014 | E259-D1013 WeakPolarHBondContact CA-O 3.27Å; E259-D1013 PolarHBondContact N-O 2.81Å; E259-D1013 VanDerWaalsContact N-O 3.14Å; E259-Q1014 PolarHBondContact OE1-NE2 2.67Å |
| 260 | D | 37.3 | Very low | 41.3 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | | | cis | -150.3 | 169.6 | 12.6 | -175.2 | 15.7 | 0 | 0 | 0 | 110.6 | D1013 Q1014 | D260-D1013 WeakPolarHBondContact CA-O 3.32Å; D260-D1013 PolarHBondContact N-O 2.78Å; D260-Q1014 VanDerWaalsContact CB-OE1 3.29Å; D260-Q1014 WeakPolarHBondContact OD1-CB 3.4Å; D260-Q1014 WeakPolarHBondContact OD1-CG 3.36Å; D260-Q1014 PolarHBondContact OD1-OE1 2.97Å |
| 261 | L | 42.3 | Very low | 43 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 59% | 0.592 | 68% | 0.679 | S | S | * | * | | | trans | 91.9 | 98.5 | 157.6 | -53 | 178.2 | 0 | 0 | 0 | 122.6 | | |
| 262 | S | 41.9 | Very low | 45.1 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | | | | 50.6 | 119.7 | 121.6 | -49.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 263 | D | 40.2 | Very low | 46.3 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 79% | 0.786 | 65% | 0.65 | S | S | * | * | | | | -169.5 | 137.9 | 56 | -172.3 | -6.4 | 0 | 0 | 0 | 111.7 | | |
| 264 | S | 50.1 | Low | 48.6 | Very low | 113 Ų | 113 | 110.5 Ų | 110.5 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | | | trans | 54.6 | 90.5 | 163.7 | -63 | 0 | 0 | 0 | 0 | 119.8 | | |
| 265 | S | 41.6 | Very low | 50.9 | Low | 126 Ų | 126 | 108 Ų | 108 | 88% | 0.881 | 60% | 0.604 | S | S | * | * | | | trans | -132.3 | 163.6 | 158.9 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 266 | S | 52.6 | Low | 52.6 | Low | 85 Ų | 85 | 110.4 Ų | 110.4 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | | | trans | -65.9 | 141.4 | -164.8 | -50.9 | 0 | 0 | 0 | 0 | 116.3 | D268 | S266-D268 WeakPolarHBondContact CB-OD1 3.17Å; S266-D268 WeakPolarHBondContact CB-OD2 3.48Å; S266-D268 PolarHBondContact O-N 2.97Å; S266-D268 PolarHBondContact OG-OD2 2.88Å |
| 267 | D | 46.4 | Very low | 55.1 | Low | 124 Ų | 124 | 102.7 Ų | 102.7 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | | | trans | -85.3 | 62.5 | 152.5 | -174.9 | 16.9 | 0 | 0 | 0 | 110.8 | G269 | D267-G269 PolarHBondContact O-N 3.3Å; D267-G269 PolarHBondContact OD1-N 3.08Å |
| 268 | D | 59 | Low | 57.1 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 60% | 0.599 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 4.1 | 171.1 | -65.7 | -33.7 | 0 | 0 | 0 | 111.6 | S266 I270 E271 E272 | S266-D268 WeakPolarHBondContact CB-OD1 3.17Å; S266-D268 WeakPolarHBondContact CB-OD2 3.48Å; S266-D268 PolarHBondContact O-N 2.97Å; S266-D268 PolarHBondContact OG-OD2 2.88Å; D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.41Å; D268-E271 PolarHBondContact O-N 3.47Å; D268-E272 PolarHBondContact O-N 2.96Å |
| 269 | G | 59.5 | Low | 58.9 | Low | 43 Ų | 43 | 99 Ų | 99 | 44% | 0.443 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.7 | -27.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D267 A273 | D267-G269 PolarHBondContact O-N 3.3Å; D267-G269 PolarHBondContact OD1-N 3.08Å; G269-A273 VanDerWaalsContact O-CB 3.27Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.27Å |
| 270 | I | 64.7 | Low | 60.3 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 172.9 | -78.9 | 179 | 0 | 0 | 0 | 111.2 | D268 A273 I274 | D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.41Å; I270-A273 PolarHBondContact O-N 2.99Å; I270-I274 HydrophobicContact CG2-CD1 3.53Å; I270-I274 HydrophobicContact CG2-CG1 4.39Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.19Å; I270-I274 PolarHBondContact O-N 2.97Å |
| 271 | E | 59.8 | Low | 61.9 | Low | 72 Ų | 72 | 97.9 Ų | 97.9 | 34% | 0.336 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 180 | -171.3 | 60.2 | -145.5 | 0 | 0 | 110.9 | Q234 D268 A273 I274 Q275 | Q234-E271 PolarHBondContact N-OE2 2.92Å; D268-E271 PolarHBondContact O-N 3.47Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.26Å; E271-I274 PolarHBondContact O-N 3.07Å; E271-Q275 WeakPolarHBondContact O-CB 3.21Å; E271-Q275 PolarHBondContact O-N 2.94Å |
| 272 | E | 69 | Low | 62.9 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 176 | -146.3 | -145.7 | 163 | 0 | 0 | 112.4 | D268 R276 | D268-E272 PolarHBondContact O-N 2.96Å; E272-R276 VanDerWaalsContact CD-NH2 3.29Å; E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 VanDerWaalsContact O-CG 3.27Å; E272-R276 WeakPolarHBondContact O-CG 3.22Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.68Å; E272-R276 IonicContact OE1-NE 3.84Å; E272-R276 PolarHBondContact OE1-NE 2.84Å; E272-R276 IonicContact OE1-NH2 2.7Å; E272-R276 PolarHBondContact OE1-NH2 3.34Å; E272-R276 IonicContact OE2-CZ 2.67Å; E272-R276 IonicContact OE2-NE 2.66Å; E272-R276 IonicContact OE2-NH2 2.97Å; E272-R276 PolarHBondContact OE2-NH2 3.47Å |
| 273 | A | 71.2 | Confident | 64.1 | Low | 60 Ų | 60 | 95.6 Ų | 95.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G269 I270 E271 Y277 | G269-A273 VanDerWaalsContact O-CB 3.27Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.27Å; I270-A273 PolarHBondContact O-N 2.99Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.26Å; A273-Y277 WeakPolarHBondContact O-CB 3.41Å; A273-Y277 PolarHBondContact O-N 3.04Å |
| 274 | I | 73.5 | Confident | 64.9 | Low | 26 Ų | 26 | 94.5 Ų | 94.5 | 13% | 0.133 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 174.2 | -72.2 | 166.4 | 0 | 0 | 0 | 110 | W235 I270 E271 R276 Y277 Q278 | W235-I274 WeakPolarHBondContact O-CD1 3.34Å; I270-I274 HydrophobicContact CG2-CD1 3.53Å; I270-I274 HydrophobicContact CG2-CG1 4.39Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.19Å; I270-I274 PolarHBondContact O-N 2.97Å; E271-I274 PolarHBondContact O-N 3.07Å; I274-R276 PolarHBondContact O-N 3.34Å; I274-Y277 PolarHBondContact O-N 3.44Å; I274-Q278 HydrophobicContact CG2-CG 4.35Å; I274-Q278 WeakPolarHBondContact O-CG 3.39Å; I274-Q278 PolarHBondContact O-N 2.86Å |
| 275 | Q | 77.3 | Confident | 64.8 | Low | 115 Ų | 115 | 92.5 Ų | 92.5 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | -179.2 | -164.5 | 174.3 | 113.1 | 0 | 0 | 111.9 | E271 Q278 L279 | E271-Q275 WeakPolarHBondContact O-CB 3.21Å; E271-Q275 PolarHBondContact O-N 2.94Å; Q275-Q278 PolarHBondContact O-N 3.03Å; Q275-L279 WeakPolarHBondContact O-CB 3.5Å; Q275-L279 PolarHBondContact O-N 3.4Å |
| 276 | R | 76.7 | Confident | 65.3 | Low | 159 Ų | 159 | 93.4 Ų | 93.4 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 172.3 | -76.7 | 177.2 | -178.1 | -169.7 | 6.5 | 112.3 | E272 I274 L279 E280 | E272-R276 VanDerWaalsContact CD-NH2 3.29Å; E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 VanDerWaalsContact O-CG 3.27Å; E272-R276 WeakPolarHBondContact O-CG 3.22Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.68Å; E272-R276 IonicContact OE1-NE 3.84Å; E272-R276 PolarHBondContact OE1-NE 2.84Å; E272-R276 IonicContact OE1-NH2 2.7Å; E272-R276 PolarHBondContact OE1-NH2 3.34Å; E272-R276 IonicContact OE2-CZ 2.67Å; E272-R276 IonicContact OE2-NE 2.66Å; E272-R276 IonicContact OE2-NH2 2.97Å; E272-R276 PolarHBondContact OE2-NH2 3.47Å; I274-R276 PolarHBondContact O-N 3.34Å; R276-L279 PolarHBondContact O-N 3.07Å; R276-E280 PolarHBondContact O-N 3.32Å |
| 277 | Y | 79.3 | Confident | 64.6 | Low | 42 Ų | 42 | 97.9 Ų | 97.9 | 17% | 0.165 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.3 | 164.6 | -128.9 | 0 | 0 | 0 | 112.3 | P238 E240 A273 I274 L279 E280 K281 | P238-Y277 WeakPolarHBondContact O-CE1 3.44Å; P238-Y277 PolarHBondContact O-OH 3.4Å; P238-Y277 VanDerWaalsContact O-OH 3.14Å; E240-Y277 HydrophobicContact CB-CD2 4.47Å; E240-Y277 HydrophobicContact CB-CE2 3.75Å; E240-Y277 HydrophobicContact CG-CE2 4.01Å; E240-Y277 VanDerWaalsContact N-CD2 3.31Å; E240-Y277 WeakPolarHBondContact O-CD2 3.27Å; E240-Y277 PolarHBondContact OE2-OH 3.5Å; A273-Y277 WeakPolarHBondContact O-CB 3.41Å; A273-Y277 PolarHBondContact O-N 3.04Å; I274-Y277 PolarHBondContact O-N 3.44Å; Y277-L279 VanDerWaalsContact C-N 3.25Å; Y277-L279 PolarHBondContact O-N 2.99Å; Y277-E280 PolarHBondContact O-N 3.28Å; Y277-K281 HydrophobicContact CE2-CB 4.4Å; Y277-K281 HydrophobicContact CE2-CD 4.13Å; Y277-K281 WeakPolarHBondContact O-CB 3.4Å; Y277-K281 PolarHBondContact O-N 2.96Å; Y277-K281 PolarHBondContact OH-NZ 2.88Å |
| 278 | Q | 74.3 | Confident | 64.8 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 173.9 | -69.3 | -177.6 | 25.2 | 0 | 0 | 111.9 | I274 Q275 N282 | I274-Q278 HydrophobicContact CG2-CG 4.35Å; I274-Q278 WeakPolarHBondContact O-CG 3.39Å; I274-Q278 PolarHBondContact O-N 2.86Å; Q275-Q278 PolarHBondContact O-N 3.03Å; Q278-N282 VanDerWaalsContact O-CB 3.3Å; Q278-N282 WeakPolarHBondContact O-CB 3.4Å; Q278-N282 VanDerWaalsContact O-CG 3.27Å; Q278-N282 PolarHBondContact O-N 2.85Å; Q278-N282 PolarHBondContact O-ND2 3.42Å |
| 279 | L | 76.4 | Confident | 63.7 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.3 | -41.4 | 175.3 | -153.1 | 161.1 | 0 | 0 | 0 | 111.6 | Q275 R276 Y277 N282 E283 | Q275-L279 WeakPolarHBondContact O-CB 3.5Å; Q275-L279 PolarHBondContact O-N 3.4Å; R276-L279 PolarHBondContact O-N 3.07Å; Y277-L279 VanDerWaalsContact C-N 3.25Å; Y277-L279 PolarHBondContact O-N 2.99Å; L279-N282 CarbonylContact O-C 3.49Å; L279-N282 PolarHBondContact O-N 3.39Å; L279-E283 PolarHBondContact O-N 2.85Å |
| 280 | E | 72.3 | Confident | 62.1 | Low | 82 Ų | 82 | 103.8 Ų | 103.8 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 172.4 | -173.3 | 171.1 | 169.5 | 0 | 0 | 111.4 | T241 M242 R276 Y277 N282 E283 Q284 | T241-E280 PolarHBondContact N-OE1 2.92Å; M242-E280 PolarHBondContact N-OE1 2.91Å; M242-E280 VanDerWaalsContact N-OE1 3.16Å; R276-E280 PolarHBondContact O-N 3.32Å; Y277-E280 PolarHBondContact O-N 3.28Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.45Å; E280-E283 WeakPolarHBondContact O-CB 3.34Å; E280-E283 PolarHBondContact O-N 2.84Å; E280-Q284 PolarHBondContact O-N 3Å |
| 281 | K | 72.9 | Confident | 61.1 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -33.1 | 175.2 | -161.8 | 163.6 | -172.5 | 136.1 | 0 | 112.8 | E240 Y277 Q284 S285 | E240-K281 IonicContact OE2-NZ 2.79Å; E240-K281 PolarHBondContact OE2-NZ 3.2Å; Y277-K281 HydrophobicContact CE2-CB 4.4Å; Y277-K281 HydrophobicContact CE2-CD 4.13Å; Y277-K281 WeakPolarHBondContact O-CB 3.4Å; Y277-K281 PolarHBondContact O-N 2.96Å; Y277-K281 PolarHBondContact OH-NZ 2.88Å; K281-Q284 VanDerWaalsContact O-CB 3.27Å; K281-Q284 WeakPolarHBondContact O-CB 3.47Å; K281-Q284 PolarHBondContact O-N 2.97Å; K281-S285 PolarHBondContact O-N 3.03Å |
| 282 | N | 62.3 | Low | 60 | Low | 90 Ų | 90 | 106.6 Ų | 106.6 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -80.5 | -18.7 | 174 | -77.6 | -41.3 | 0 | 0 | 0 | 114.5 | Q278 L279 E280 S285 K286 | Q278-N282 VanDerWaalsContact O-CB 3.3Å; Q278-N282 WeakPolarHBondContact O-CB 3.4Å; Q278-N282 VanDerWaalsContact O-CG 3.27Å; Q278-N282 PolarHBondContact O-N 2.85Å; Q278-N282 PolarHBondContact O-ND2 3.42Å; L279-N282 CarbonylContact O-C 3.49Å; L279-N282 PolarHBondContact O-N 3.39Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.45Å; N282-S285 PolarHBondContact O-OG 3.46Å; N282-K286 WeakPolarHBondContact O-CD 3.43Å; N282-K286 WeakPolarHBondContact O-CG 3.48Å |
| 283 | E | 66.7 | Low | 58.1 | Low | 85 Ų | 85 | 108.7 Ų | 108.7 | 40% | 0.397 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.2 | -40.5 | 162.8 | -92.9 | -83.9 | 120.1 | 0 | 0 | 109.9 | L279 E280 S285 K286 R287 | L279-E283 PolarHBondContact O-N 2.85Å; E280-E283 WeakPolarHBondContact O-CB 3.34Å; E280-E283 PolarHBondContact O-N 2.84Å; E283-S285 PolarHBondContact O-N 2.96Å; E283-K286 PolarHBondContact O-N 3.48Å; E283-K286 VanDerWaalsContact O-N 3.1Å; E283-R287 IonicContact OE2-CZ 2.75Å; E283-R287 IonicContact OE2-NH2 3.2Å; E283-R287 PolarHBondContact OE2-NH2 2.8Å |
| 284 | Q | 56.5 | Low | 56.4 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.3 | -45.9 | 176.8 | -146.4 | 81.4 | -54.9 | 0 | 0 | 111.5 | E280 K281 K286 R287 | E280-Q284 PolarHBondContact O-N 3Å; K281-Q284 VanDerWaalsContact O-CB 3.27Å; K281-Q284 WeakPolarHBondContact O-CB 3.47Å; K281-Q284 PolarHBondContact O-N 2.97Å; Q284-K286 PolarHBondContact O-N 3.41Å; Q284-R287 PolarHBondContact O-N 3.09Å; Q284-R287 VanDerWaalsContact O-N 3.16Å |
| 285 | S | 49.8 | Very low | 54.3 | Low | 71 Ų | 71 | 117.7 Ų | 117.7 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.8 | -24.6 | 176.7 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | K281 N282 E283 R287 | K281-S285 PolarHBondContact O-N 3.03Å; N282-S285 PolarHBondContact O-OG 3.46Å; E283-S285 PolarHBondContact O-N 2.96Å; S285-R287 VanDerWaalsContact C-N 3.32Å; S285-R287 PolarHBondContact O-N 2.95Å |
| 286 | K | 50.2 | Low | 52.1 | Low | 145 Ų | 145 | 120.3 Ų | 120.3 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -0.5 | 177.8 | -70.8 | 169.5 | -172 | 163.1 | 0 | 114.1 | N282 E283 Q284 | N282-K286 WeakPolarHBondContact O-CD 3.43Å; N282-K286 WeakPolarHBondContact O-CG 3.48Å; E283-K286 PolarHBondContact O-N 3.48Å; E283-K286 VanDerWaalsContact O-N 3.1Å; Q284-K286 PolarHBondContact O-N 3.41Å |
| 287 | R | 39.6 | Very low | 49.9 | Very low | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 17.9 | 176.6 | -65.7 | -168.6 | -170.1 | 175.4 | 11.8 | 115 | E283 Q284 S285 A289 | E283-R287 IonicContact OE2-CZ 2.75Å; E283-R287 IonicContact OE2-NH2 3.2Å; E283-R287 PolarHBondContact OE2-NH2 2.8Å; Q284-R287 PolarHBondContact O-N 3.09Å; Q284-R287 VanDerWaalsContact O-N 3.16Å; S285-R287 VanDerWaalsContact C-N 3.32Å; S285-R287 PolarHBondContact O-N 2.95Å; R287-A289 PolarHBondContact O-N 2.66Å |
| 288 | E | 49.5 | Very low | 47.9 | Very low | 196 Ų | 196 | 123.2 Ų | 123.2 | 92% | 0.916 | 63% | 0.629 | S | S | * | * | | | trans | -63.2 | 64 | 143 | -67 | -160.8 | 139.6 | 0 | 0 | 110.9 | | |
| 289 | A | 37 | Very low | 46.1 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | | | trans | -139.4 | 10.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R287 | R287-A289 PolarHBondContact O-N 2.66Š|
| 290 | C | 25.5 | Very low | 44.8 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 88% | 0.878 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -150.5 | 84.3 | 162.5 | -155.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 291 | N | 43.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 65% | 0.647 | 66% | 0.659 | S | S | * | * | | | trans | -122.1 | 137.6 | 169.8 | -168.3 | -12.8 | 0 | 0 | 0 | 107.7 | Q293 | N291-Q293 PolarHBondContact OD1-N 2.77Š|
| 292 | P | 36.9 | Very low | 42.4 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | | | | -141.8 | 104.1 | 126.5 | 33.8 | -18.1 | 0 | 0 | 0 | 113.9 | | |
| 293 | Q | 29.4 | Very low | 42.1 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | | | | 54.1 | 114.2 | 110.6 | -168.7 | 172.5 | 23.7 | 0 | 0 | 116.4 | N291 F295 | N291-Q293 PolarHBondContact OD1-N 2.77Å; Q293-F295 HydrophobicContact CB-CD2 4.17Å; Q293-F295 HydrophobicContact CB-CE2 4.41Å; Q293-F295 HydrophobicContact CG-CD2 3.87Å; Q293-F295 HydrophobicContact CG-CE2 4.38Å |
| 294 | T | 33.9 | Very low | 41.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | | | | -142.7 | 137.5 | 59.4 | 41.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 295 | F | 29 | Very low | 42 | Very low | 148 Ų | 148 | 127 Ų | 127 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | | | cis | 70.5 | 108.8 | 42 | -73 | -97 | 0 | 0 | 0 | 116 | Q293 | Q293-F295 HydrophobicContact CB-CD2 4.17Å; Q293-F295 HydrophobicContact CB-CE2 4.41Å; Q293-F295 HydrophobicContact CG-CD2 3.87Å; Q293-F295 HydrophobicContact CG-CE2 4.38Å |
| 296 | Q | 31.1 | Very low | 43.1 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | | | | -160.7 | 163 | 103.6 | -85.6 | -158.6 | -74.8 | 0 | 0 | 110.4 | | |
| 297 | E | 32.3 | Very low | 44.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 54% | 0.542 | 69% | 0.691 | S | S | . | * | | | cis | -170.8 | 73.6 | -35.1 | -169.9 | 161.8 | -171.7 | 0 | 0 | 111.9 | S299 | E297-S299 WeakPolarHBondContact CG-OG 3.02Š|
| 298 | D | 37.2 | Very low | 46.1 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | | | trans | -132.8 | 79.4 | 175.1 | -47 | -89.5 | 0 | 0 | 0 | 106.8 | | |
| 299 | S | 36.8 | Very low | 47.3 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 49% | 0.49 | 66% | 0.661 | S | S | . | * | | | cis | 64.4 | 92.6 | 45.4 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | E297 S301 | E297-S299 WeakPolarHBondContact CG-OG 3.02Å; S299-S301 PolarHBondContact O-N 2.78Å |
| 300 | D | 48.8 | Very low | 49.5 | Very low | 184 Ų | 184 | 115 Ų | 115 | 98% | 0.984 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -68.1 | 49.7 | 164.1 | -57.9 | -69.3 | 0 | 0 | 0 | 111.6 | | |
| 301 | S | 37.8 | Very low | 52.4 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | | | trans | -88.9 | 134.9 | 171.6 | -72.2 | 0 | 0 | 0 | 0 | 109.4 | S299 S303 | S299-S301 PolarHBondContact O-N 2.78Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å |
| 302 | T | 56.8 | Low | 54.3 | Low | 154 Ų | 154 | 112.2 Ų | 112.2 | 95% | 0.945 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -61.9 | 84.6 | 175.2 | 159.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 303 | S | 55.7 | Low | 56.5 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -157.4 | 157.5 | 173.7 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | S301 D305 | S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å; S303-D305 VanDerWaalsContact C-N 3.29Å; S303-D305 WeakPolarHBondContact CB-OD2 3.28Å; S303-D305 PolarHBondContact O-N 3.42Å; S303-D305 PolarHBondContact OG-OD2 2.9Å |
| 304 | D | 54.4 | Low | 59.2 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -86.1 | 17.6 | -169 | -165.4 | 33.9 | 0 | 0 | 0 | 114.7 | G306 I307 | D304-G306 VanDerWaalsContact C-N 3.27Å; D304-G306 PolarHBondContact O-N 3.35Å; D304-G306 VanDerWaalsContact O-N 3.16Å; D304-I307 PolarHBondContact O-N 3.43Å; D304-I307 VanDerWaalsContact O-N 3.15Å |
| 305 | D | 67 | Low | 61.8 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.4 | -21.4 | -166.9 | -69.2 | -84.2 | 0 | 0 | 0 | 114.8 | S303 I307 E308 E309 | S303-D305 VanDerWaalsContact C-N 3.29Å; S303-D305 WeakPolarHBondContact CB-OD2 3.28Å; S303-D305 PolarHBondContact O-N 3.42Å; S303-D305 PolarHBondContact OG-OD2 2.9Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 3.02Å; D305-E308 PolarHBondContact O-N 3.48Å; D305-E309 PolarHBondContact O-N 3.25Å |
| 306 | G | 72.8 | Confident | 64.3 | Low | 59 Ų | 59 | 108.4 Ų | 108.4 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.2 | -31.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D304 A310 | D304-G306 VanDerWaalsContact C-N 3.27Å; D304-G306 PolarHBondContact O-N 3.35Å; D304-G306 VanDerWaalsContact O-N 3.16Å; G306-A310 WeakPolarHBondContact O-CB 3.24Å; G306-A310 PolarHBondContact O-N 3Å |
| 307 | I | 74.2 | Confident | 66.7 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 48% | 0.477 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.7 | -40.2 | 174.5 | -77.6 | -175.4 | 0 | 0 | 0 | 110.6 | D304 D305 E309 A310 I311 | D304-I307 PolarHBondContact O-N 3.43Å; D304-I307 VanDerWaalsContact O-N 3.15Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 3.02Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 2.6Å; I307-A310 PolarHBondContact O-N 2.89Å; I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 VanDerWaalsContact O-CG1 3.24Å; I307-I311 WeakPolarHBondContact O-CG1 3.24Å; I307-I311 PolarHBondContact O-N 3.37Å |
| 308 | E | 77.6 | Confident | 69.1 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61 | -41.7 | 174.6 | -173.3 | 68.6 | -144.8 | 0 | 0 | 110.8 | D305 I311 R312 | D305-E308 PolarHBondContact O-N 3.48Å; E308-I311 PolarHBondContact O-N 3.02Å; E308-R312 VanDerWaalsContact CG-NH1 3.34Å; E308-R312 VanDerWaalsContact O-CG 3.28Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.23Å |
| 309 | E | 75.9 | Confident | 70.3 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -42.3 | 173.5 | -175.7 | 147.3 | -91.7 | 0 | 0 | 113.7 | D305 I307 I311 R312 S313 | D305-E309 PolarHBondContact O-N 3.25Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 2.6Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.36Å; E309-R312 VanDerWaalsContact CB-NH2 3.33Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 IonicContact OE1-NH2 3.95Å; E309-R312 PolarHBondContact OE1-NH2 2.87Å; E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.39Å; E309-S313 PolarHBondContact O-N 3.4Å; E309-S313 PolarHBondContact O-OG 2.89Å |
| 310 | A | 83.1 | Confident | 71.6 | Confident | 58 Ų | 58 | 107.7 Ų | 107.7 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.9 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G306 I307 S313 Y314 | G306-A310 WeakPolarHBondContact O-CB 3.24Å; G306-A310 PolarHBondContact O-N 3Å; I307-A310 PolarHBondContact O-N 2.89Å; A310-S313 PolarHBondContact O-N 3.46Å; A310-Y314 WeakPolarHBondContact O-CB 3.34Å; A310-Y314 PolarHBondContact O-N 3.25Å |
| 311 | I | 84.9 | Confident | 71.9 | Confident | 72 Ų | 72 | 105.6 Ų | 105.6 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -47.5 | 175.8 | -70.9 | 168.9 | 0 | 0 | 0 | 111.1 | I307 E308 E309 S313 Y314 Q315 | I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 VanDerWaalsContact O-CG1 3.24Å; I307-I311 WeakPolarHBondContact O-CG1 3.24Å; I307-I311 PolarHBondContact O-N 3.37Å; E308-I311 PolarHBondContact O-N 3.02Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.36Å; I311-S313 VanDerWaalsContact C-N 3.28Å; I311-S313 PolarHBondContact O-N 3.28Å; I311-Y314 PolarHBondContact O-N 2.96Å; I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CB 3.38Å; I311-Q315 VanDerWaalsContact O-CG 3.28Å; I311-Q315 WeakPolarHBondContact O-CG 3.17Å; I311-Q315 PolarHBondContact O-N 3.36Å |
| 312 | R | 85.5 | Confident | 72.3 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 46% | 0.457 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.7 | -44.6 | 174.2 | -71 | -176 | -49.5 | -112.8 | 10.6 | 111.2 | E308 E309 Q315 L316 | E308-R312 VanDerWaalsContact CG-NH1 3.34Å; E308-R312 VanDerWaalsContact O-CG 3.28Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.23Å; E309-R312 VanDerWaalsContact CB-NH2 3.33Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 IonicContact OE1-NH2 3.95Å; E309-R312 PolarHBondContact OE1-NH2 2.87Å; R312-Q315 PolarHBondContact O-N 2.88Å; R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 2.9Å |
| 313 | S | 82.1 | Confident | 71.5 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | -179.7 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | E309 A310 I311 L316 E317 | E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.39Å; E309-S313 PolarHBondContact O-N 3.4Å; E309-S313 PolarHBondContact O-OG 2.89Å; A310-S313 PolarHBondContact O-N 3.46Å; I311-S313 VanDerWaalsContact C-N 3.28Å; I311-S313 PolarHBondContact O-N 3.28Å; S313-L316 PolarHBondContact O-N 3.11Å; S313-E317 PolarHBondContact O-N 3.41Å |
| 314 | Y | 87.1 | Confident | 71 | Confident | 142 Ų | 142 | 104.6 Ų | 104.6 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -40 | 176.8 | -178.9 | -111.5 | 0 | 0 | 0 | 112.5 | A310 I311 L316 E317 Q318 | A310-Y314 WeakPolarHBondContact O-CB 3.34Å; A310-Y314 PolarHBondContact O-N 3.25Å; I311-Y314 PolarHBondContact O-N 2.96Å; Y314-L316 VanDerWaalsContact C-N 3.33Å; Y314-L316 PolarHBondContact O-N 2.88Å; Y314-E317 PolarHBondContact O-N 3.34Å; Y314-Q318 HydrophobicContact CD1-CG 4.28Å; Y314-Q318 HydrophobicContact CD2-CG 4.48Å; Y314-Q318 HydrophobicContact CE1-CG 3.91Å; Y314-Q318 HydrophobicContact CE2-CG 4.13Å; Y314-Q318 WeakPolarHBondContact O-CB 3.32Å; Y314-Q318 VanDerWaalsContact O-CG 3.3Å; Y314-Q318 WeakPolarHBondContact O-CG 3.23Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 PolarHBondContact OH-NE2 3.38Å |
| 315 | Q | 87.8 | Confident | 70.7 | Confident | 117 Ų | 117 | 107.5 Ų | 107.5 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -38.5 | 173.6 | -71.9 | -178.8 | 25.1 | 0 | 0 | 112 | I311 R312 Q318 Q319 | I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CB 3.38Å; I311-Q315 VanDerWaalsContact O-CG 3.28Å; I311-Q315 WeakPolarHBondContact O-CG 3.17Å; I311-Q315 PolarHBondContact O-N 3.36Å; R312-Q315 PolarHBondContact O-N 2.88Å; Q315-Q318 PolarHBondContact O-N 3.31Å; Q315-Q319 PolarHBondContact O-N 2.87Å |
| 316 | L | 82 | Confident | 69.4 | Low | 129 Ų | 129 | 111.8 Ų | 111.8 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -38.9 | 176.2 | -166.5 | 70.7 | 0 | 0 | 0 | 111.9 | R312 S313 Y314 K320 | R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 2.9Å; S313-L316 PolarHBondContact O-N 3.11Å; Y314-L316 VanDerWaalsContact C-N 3.33Å; Y314-L316 PolarHBondContact O-N 2.88Å; L316-K320 WeakPolarHBondContact O-CB 3.25Å; L316-K320 PolarHBondContact O-N 3.28Å |
| 317 | E | 81.2 | Confident | 67.9 | Low | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.5 | -44.7 | 171.5 | -179.2 | 153.4 | -115.9 | 0 | 0 | 111.7 | S313 Y314 Q319 K320 E321 | S313-E317 PolarHBondContact O-N 3.41Å; Y314-E317 PolarHBondContact O-N 3.34Å; E317-Q319 PolarHBondContact O-N 2.8Å; E317-K320 CarbonylContact O-C 3.53Å; E317-K320 WeakPolarHBondContact O-CA 3.18Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.2Å; E317-E321 PolarHBondContact O-N 2.92Å |
| 318 | Q | 82.8 | Confident | 65.8 | Low | 66 Ų | 66 | 120.7 Ų | 120.7 | 31% | 0.308 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.2 | -40.5 | 175.9 | -77.4 | -77.4 | 25.5 | 0 | 0 | 112.5 | Y314 Q315 K320 E321 N322 | Y314-Q318 HydrophobicContact CD1-CG 4.28Å; Y314-Q318 HydrophobicContact CD2-CG 4.48Å; Y314-Q318 HydrophobicContact CE1-CG 3.91Å; Y314-Q318 HydrophobicContact CE2-CG 4.13Å; Y314-Q318 WeakPolarHBondContact O-CB 3.32Å; Y314-Q318 VanDerWaalsContact O-CG 3.3Å; Y314-Q318 WeakPolarHBondContact O-CG 3.23Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 PolarHBondContact OH-NE2 3.38Å; Q315-Q318 PolarHBondContact O-N 3.31Å; Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 3.43Å; Q318-E321 PolarHBondContact O-N 3.42Å; Q318-N322 VanDerWaalsContact O-CB 3.3Å; Q318-N322 WeakPolarHBondContact O-CB 3.45Å; Q318-N322 PolarHBondContact O-N 3.42Å; Q318-N322 PolarHBondContact O-ND2 2.85Å |
| 319 | Q | 62.6 | Low | 63.4 | Low | 150 Ų | 150 | 124.6 Ų | 124.6 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.9 | -30.8 | 173.2 | -69.7 | -159.3 | 27.4 | 0 | 0 | 112.8 | Q315 E317 S323 | Q315-Q319 PolarHBondContact O-N 2.87Å; E317-Q319 PolarHBondContact O-N 2.8Å; Q319-S323 PolarHBondContact O-N 2.91Å |
| 320 | K | 63.5 | Low | 61.1 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.3 | -35.9 | 176.4 | -167 | 177.5 | -174.7 | 178.2 | 0 | 112.2 | L316 E317 Q318 S323 | L316-K320 WeakPolarHBondContact O-CB 3.25Å; L316-K320 PolarHBondContact O-N 3.28Å; E317-K320 CarbonylContact O-C 3.53Å; E317-K320 WeakPolarHBondContact O-CA 3.18Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.2Å; Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 3.43Å; K320-S323 WeakPolarHBondContact O-CB 3.38Å; K320-S323 PolarHBondContact O-OG 3.05Å |
| 321 | E | 55.9 | Low | 58.5 | Low | 140 Ų | 140 | 132 Ų | 132 | 65% | 0.654 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.4 | -37.6 | 174.3 | -175.9 | 156.7 | -136 | 0 | 0 | 112.7 | E317 Q318 S323 | E317-E321 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.42Å; E321-S323 PolarHBondContact O-N 3.03Å |
| 322 | N | 46.2 | Very low | 56.2 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -72.3 | -2.3 | 172.4 | -74.7 | -75.1 | 0 | 0 | 0 | 113.7 | Q318 | Q318-N322 VanDerWaalsContact O-CB 3.3Å; Q318-N322 WeakPolarHBondContact O-CB 3.45Å; Q318-N322 PolarHBondContact O-N 3.42Å; Q318-N322 PolarHBondContact O-ND2 2.85Å |
| 323 | S | 38.7 | Very low | 53.6 | Low | 49 Ų | 49 | 138.7 Ų | 138.7 | 34% | 0.343 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -71.8 | 130.7 | 169.1 | 79 | 0 | 0 | 0 | 0 | 110.7 | Q319 K320 E321 Q325 | Q319-S323 PolarHBondContact O-N 2.91Å; K320-S323 WeakPolarHBondContact O-CB 3.38Å; K320-S323 PolarHBondContact O-OG 3.05Å; E321-S323 PolarHBondContact O-N 3.03Å; S323-Q325 PolarHBondContact O-N 2.83Å |
| 324 | P | 46.3 | Very low | 51.3 | Low | 134 Ų | 134 | 139.9 Ų | 139.9 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 45.6 | -173.5 | 33.1 | -37.5 | 0 | 0 | 0 | 113.1 | | |
| 325 | Q | 46.8 | Very low | 49.5 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 19.6 | -170.6 | -156.4 | 157.1 | -13.3 | 0 | 0 | 114.8 | S323 | S323-Q325 PolarHBondContact O-N 2.83Š|
| 326 | K | 40.7 | Very low | 46.8 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -114.5 | 21.6 | 164.6 | -77.4 | -174.1 | 179.7 | 173.9 | 0 | 114.4 | | |
| 327 | Q | 40.1 | Very low | 44.4 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | | | trans | -107.4 | 63.1 | 176.5 | -161.3 | 178.9 | 74.5 | 0 | 0 | 113 | | |
| 328 | L | 30.7 | Very low | 41.9 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | -160.8 | 88.1 | 171.9 | -120.7 | 168.5 | 0 | 0 | 0 | 112.8 | | |
| 329 | F | 27 | Very low | 39.3 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 80% | 0.803 | 75% | 0.753 | S | S | * | * | | | trans | -170.3 | 72.8 | 142.4 | -90.5 | -51.1 | 0 | 0 | 0 | 112.3 | | |
| 330 | C | 28.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | trans | -131.1 | 122.3 | 155.7 | -91.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 331 | K | 29 | Very low | 36.2 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | trans | -111.6 | 107.8 | -178.8 | -75.4 | -176.9 | 178.8 | 174.7 | 0 | 111.2 | | |
| 332 | P | 35.7 | Very low | 34.8 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | -65.3 | 162.3 | 153.3 | -16.8 | 32 | 0 | 0 | 0 | 110.9 | | |
| 333 | K | 32 | Very low | 33.9 | Very low | 216 Ų | 216 | 142 Ų | 142 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | | | trans | -73.7 | 151.7 | 173.5 | -67.3 | 176.2 | 179.8 | 174.9 | 0 | 110.8 | | |
| 334 | A | 33.8 | Very low | 33.5 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -111.1 | -174.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 335 | P | 49.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | | -131.9 | -175.5 | -50.7 | 35.3 | -20 | 0 | 0 | 0 | 112.2 | | |
| 336 | I | 29.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -155.4 | 110.6 | 143.4 | -108.9 | 152.1 | 0 | 0 | 0 | 114 | | |
| 337 | K | 32.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | 56.9 | 136.6 | 139.8 | -66 | -164.5 | 174.5 | -165.3 | 0 | 124.8 | | |
| 338 | L | 29.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | 74.3 | 143.4 | 147.7 | -67 | 161.2 | 0 | 0 | 0 | 117.6 | | |
| 339 | A | 27.8 | Very low | 30.7 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -150.2 | 155 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 340 | V | 29 | Very low | 30.9 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | trans | -50.1 | 163.2 | -177 | -150.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 341 | H | 31.4 | Very low | 31.2 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | trans | 84.7 | 142.3 | 161.3 | -55.2 | -64.5 | 0 | 0 | 0 | 117.9 | | |
| 342 | A | 27.3 | Very low | 31.4 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | cis | -164 | 159.5 | -17.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 343 | T | 27.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | 31.2 | 121.9 | 148 | 56.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 344 | G | 29 | Very low | 31.6 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | -176.3 | 123.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 345 | S | 26.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -118.3 | 172.8 | -177.9 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 346 | T | 27.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | trans | 64.5 | 125.7 | 165.1 | 54.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 347 | N | 29 | Very low | 31.2 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | 58.7 | 132 | 132.3 | -51.6 | 4.4 | 0 | 0 | 0 | 120.6 | | |
| 348 | S | 31.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -157 | 90.2 | 156.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 349 | D | 32.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 129.4 | 167.9 | -76.9 | -59.1 | 0 | 0 | 0 | 112.2 | | |
| 350 | D | 31.4 | Very low | 32 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 168.7 | 138.6 | -158.4 | 18.4 | 0 | 0 | 0 | 121.2 | | |
| 351 | V | 34.6 | Very low | 32 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 54% | 0.539 | 78% | 0.784 | S | S | . | * | | | trans | 90.1 | 98.7 | 154.8 | -173.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 352 | K | 33.2 | Very low | 32.1 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | 64.6 | 120 | 136.3 | -64.2 | 170.2 | -163.4 | 145.3 | 0 | 123 | | |
| 353 | K | 37.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | | 49.5 | 125.4 | 121.6 | -54.2 | 172.8 | -176.3 | 179.3 | 0 | 120.1 | | |
| 354 | N | 33.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | | -171.6 | -175.3 | 109.9 | -99.3 | -42.5 | 0 | 0 | 0 | 115.1 | | |
| 355 | K | 31.6 | Very low | 33.8 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | | | trans | -111.3 | -167.9 | -162 | -55.7 | 177.1 | 179.7 | 176.2 | 0 | 113.7 | | |
| 356 | L | 36.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 96.5 | 147.8 | 159.3 | -47 | 176.5 | 0 | 0 | 0 | 116.2 | | |
| 357 | K | 35.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 156.1 Ų | 156.1 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | cis | -170.5 | 137.9 | -24 | -114.4 | 178 | -170.4 | 163.9 | 0 | 112.2 | | |
| 358 | R | 37.2 | Very low | 34.4 | Very low | 224 Ų | 224 | 157.1 Ų | 157.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 68.7 | 171.4 | 156 | -50.1 | 164.5 | 105.9 | 177.3 | 5.8 | 115.9 | | |
| 359 | K | 34.6 | Very low | 34.1 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | cis | -149.6 | 174.1 | 3 | -152.3 | -177.7 | 176 | -172.7 | 0 | 111.6 | | |
| 360 | K | 34.7 | Very low | 34.7 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -77.4 | 166.5 | -177.9 | -52.6 | 175.2 | 177.2 | 179.3 | 0 | 115.6 | | |
| 361 | V | 29.6 | Very low | 34.7 | Very low | 145 Ų | 145 | 155.6 Ų | 155.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | | -168.8 | 163.7 | 125.8 | 139.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 362 | K | 33.5 | Very low | 34.5 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -170.2 | -178.9 | -177.5 | -121.7 | -174.5 | 179.7 | -175.5 | 0 | 107.8 | | |
| 363 | P | 52.5 | Low | 34.2 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | cis | -140.3 | -170.7 | -22.6 | 43 | -24.3 | 0 | 0 | 0 | 115.7 | | |
| 364 | G | 26.8 | Very low | 33.9 | Very low | 71 Ų | 71 | 155.2 Ų | 155.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 162.7 | 140.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 365 | K | 39.9 | Very low | 34.3 | Very low | 193 Ų | 193 | 153 Ų | 153 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | cis | 98.9 | 139.3 | 31.3 | -87.7 | -167.5 | 169.9 | -166.7 | 0 | 113.2 | | |
| 366 | Q | 34.5 | Very low | 34.5 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | cis | -161.4 | -176.3 | 11.4 | -155.8 | 162.4 | -26.1 | 0 | 0 | 113.6 | | |
| 367 | T | 30.7 | Very low | 34 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 88 | 141.2 | 158.2 | -55.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 368 | Q | 30.6 | Very low | 33.8 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | cis | -154.2 | -115 | -22.1 | -174.9 | 159.3 | -36.6 | 0 | 0 | 114.6 | | |
| 369 | S | 25.1 | Very low | 33.4 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -171.7 | -168.6 | -163.6 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 370 | P | 45.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | cis | -150 | -157.5 | 9.5 | 46.1 | -22.5 | 0 | 0 | 0 | 118.6 | | |
| 371 | F | 31.6 | Very low | 32.7 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | 73.6 | 92.6 | 153.9 | -93.7 | -86.4 | 0 | 0 | 0 | 127.4 | | |
| 372 | V | 30 | Very low | 32.7 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | 52.5 | 112.2 | 131.1 | -173.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 373 | S | 26.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | | -173.2 | 177.4 | 108 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 374 | K | 31.6 | Very low | 31.7 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -153.6 | 156.4 | -169.9 | -112.7 | 176.9 | -174.3 | 174.9 | 0 | 109.8 | | |
| 375 | P | 41.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | -145.3 | 147.8 | 59.1 | 37.7 | -18.1 | 0 | 0 | 0 | 119.6 | | |
| 376 | K | 36.8 | Very low | 31.2 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | 53.4 | 134.7 | 135.7 | -64.7 | -169 | 175.5 | -177.8 | 0 | 120.7 | | |
| 377 | T | 25.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -165.3 | 172 | -3.5 | 6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 378 | S | 29.4 | Very low | 30.8 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | cis | -158.6 | 149.5 | -4 | 31.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 379 | L | 29 | Very low | 30.5 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | cis | 81.4 | 128.8 | 34.4 | -61.5 | 177 | 0 | 0 | 0 | 115.5 | | |
| 380 | S | 28.2 | Very low | 30.5 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | cis | -178.8 | 132.8 | -24.2 | 40.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 381 | F | 26.9 | Very low | 30.1 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | 40.7 | 131.1 | 137.8 | -70.2 | -69.2 | 0 | 0 | 0 | 126.1 | | |
| 382 | N | 29.6 | Very low | 29.7 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | 70 | 171.1 | 135.1 | -84.5 | -48.3 | 0 | 0 | 0 | 120.8 | | |
| 383 | P | 38.9 | Very low | 29.4 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | cis | -137.6 | 166 | -5.4 | 33 | -11.6 | 0 | 0 | 0 | 119.2 | | |
| 384 | K | 27.1 | Very low | 29.4 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | 21.2 | 141.7 | 142.1 | -56.4 | 173.8 | -179.9 | 173.7 | 0 | 123.7 | | |
| 385 | I | 26 | Very low | 29.1 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 94% | 0.938 | 78% | 0.778 | S | S | * | * | | | | -173.1 | 175 | 126.3 | -98.9 | 158.2 | 0 | 0 | 0 | 112.5 | | |
| 386 | K | 29.7 | Very low | 28.4 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -150.6 | 146.1 | -162.8 | 170.6 | 176.2 | 178.1 | 170.1 | 0 | 116 | | |
| 387 | G | 27.6 | Very low | 27.9 | Very low | 61 Ų | 61 | 135.9 Ų | 135.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 120.6 | 153.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 388 | N | 28.2 | Very low | 28 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | cis | -157.6 | 147.6 | -3.8 | -88 | -13.7 | 0 | 0 | 0 | 110 | | |
| 389 | G | 25.8 | Very low | 27.9 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 175.4 | 144.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 390 | L | 25.6 | Very low | 28 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -154.5 | 158.5 | -176 | -147.4 | 53 | 0 | 0 | 0 | 106.6 | | |
| 391 | P | 35.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | cis | -147.8 | 167.2 | 24.9 | 44.7 | -25.4 | 0 | 0 | 0 | 120.6 | | |
| 392 | S | 22.9 | Very low | 28.3 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | 52.8 | 116.7 | 138.3 | -174.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 393 | S | 23.9 | Very low | 28.7 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | | -143.9 | 174.7 | 84.8 | 56 | 0 | 0 | 0 | 0 | 115 | | |
| 394 | K | 26.8 | Very low | 28.5 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -103.7 | 143.6 | 169 | -86.1 | -168.5 | 165.7 | -147.3 | 0 | 110.1 | E396 | K394-E396 IonicContact NZ-OE2 3.7Š|
| 395 | A | 26.5 | Very low | 29.2 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | -141.4 | 146 | 138.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 396 | E | 25.2 | Very low | 30 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | -142.5 | 102.6 | -174.6 | -179.7 | 177.9 | 177 | 0 | 0 | 107.6 | K394 | K394-E396 IonicContact NZ-OE2 3.7Š|
| 397 | T | 26.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -135.7 | 136.9 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 398 | K | 28.9 | Very low | 32.5 | Very low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -82.3 | 137.2 | 176.4 | -56 | 164.7 | -173.9 | 167.6 | 0 | 108.3 | | |
| 399 | E | 27.5 | Very low | 34 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -107.9 | 142 | 155.4 | -165.5 | 165.5 | -148.4 | 0 | 0 | 108.4 | | |
| 400 | Q | 30.6 | Very low | 36.3 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -87.6 | 144.3 | -169.7 | -72.8 | 158.6 | -90.9 | 0 | 0 | 111 | A402 | Q400-A402 PolarHBondContact O-N 3.37Å; Q400-A402 VanDerWaalsContact O-N 3.16Å |
| 401 | S | 30.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 113.8 | 171.7 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 402 | A | 29.7 | Very low | 41.5 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 144.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q400 | Q400-A402 PolarHBondContact O-N 3.37Å; Q400-A402 VanDerWaalsContact O-N 3.16Å |
| 403 | P | 38.2 | Very low | 44.6 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.7 | -173.6 | 27 | -34.5 | 0 | 0 | 0 | 111.5 | | |
| 404 | A | 35.2 | Very low | 47.9 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S406 | A404-S406 PolarHBondContact O-N 3.4Š|
| 405 | P | 42.3 | Very low | 50.9 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.2 | 170.9 | 25.4 | -34 | 0 | 0 | 0 | 109.4 | | |
| 406 | S | 41.8 | Very low | 54 | Low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.4 | 176.5 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | A404 V408 | A404-S406 PolarHBondContact O-N 3.4Å; S406-V408 PolarHBondContact O-N 2.87Å |
| 407 | K | 56.2 | Low | 57.3 | Low | 208 Ų | 208 | 117.2 Ų | 117.2 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | | | trans | -74.6 | 77.2 | 172.5 | -73.1 | -177.1 | 177.2 | 178.3 | 0 | 109.4 | | |
| 408 | V | 53.8 | Low | 60.3 | Low | 79 Ų | 79 | 116.5 Ų | 116.5 | 48% | 0.479 | 66% | 0.664 | S | S | . | * | | | trans | -57 | 143.2 | 167.3 | -177 | 0 | 0 | 0 | 0 | 108.4 | S406 T410 E413 | S406-V408 PolarHBondContact O-N 2.87Å; V408-T410 VanDerWaalsContact C-N 3.32Å; V408-T410 PolarHBondContact O-N 2.85Å; V408-T410 PolarHBondContact O-OG1 3.49Å; V408-E413 WeakPolarHBondContact CG1-OE2 3.49Å |
| 409 | N | 60.6 | Low | 63.3 | Low | 132 Ų | 132 | 109.4 Ų | 109.4 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | | | trans | -68.3 | 88.9 | -175.1 | -78.6 | -50.7 | 0 | 0 | 0 | 110.6 | T411 A412 E413 | N409-T411 PolarHBondContact O-N 3.05Å; N409-A412 HydrophobicContact CB-CB 4.48Å; N409-A412 PolarHBondContact O-N 3.49Å; N409-E413 PolarHBondContact O-N 3.39Å |
| 410 | T | 72.9 | Confident | 66.5 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -56.2 | -32.8 | -166.3 | -33.8 | 0 | 0 | 0 | 0 | 112.7 | V408 E413 L414 | V408-T410 VanDerWaalsContact C-N 3.32Å; V408-T410 PolarHBondContact O-N 2.85Å; V408-T410 PolarHBondContact O-OG1 3.49Å; T410-E413 PolarHBondContact O-N 3.27Å; T410-L414 HydrophobicContact CG2-CD1 4.01Å; T410-L414 HydrophobicContact CG2-CG 4.32Å; T410-L414 VanDerWaalsContact O-CB 3.24Å; T410-L414 WeakPolarHBondContact O-CB 3.49Å; T410-L414 WeakPolarHBondContact O-CD1 3.39Å; T410-L414 WeakPolarHBondContact O-CG 3.39Å; T410-L414 PolarHBondContact O-N 2.82Å |
| 411 | T | 84.4 | Confident | 69.4 | Low | 104 Ų | 104 | 102.2 Ų | 102.2 | 64% | 0.638 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.1 | -39.6 | 175.7 | -44 | 0 | 0 | 0 | 0 | 112.9 | N409 M415 | N409-T411 PolarHBondContact O-N 3.05Å; T411-M415 HydrophobicContact CG2-CE 4.4Å; T411-M415 WeakPolarHBondContact O-CB 3.27Å; T411-M415 VanDerWaalsContact O-CG 3.3Å; T411-M415 WeakPolarHBondContact O-CG 3.37Å; T411-M415 PolarHBondContact O-N 2.99Å |
| 412 | A | 87.3 | Confident | 72.3 | Confident | 49 Ų | 49 | 100.6 Ų | 100.6 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.4 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N409 M415 C416 | N409-A412 HydrophobicContact CB-CB 4.48Å; N409-A412 PolarHBondContact O-N 3.49Å; A412-M415 PolarHBondContact O-N 3.29Å; A412-C416 PolarHBondContact O-N 3.27Å; A412-C416 PolarHBondContact O-SG 3.42Å; A412-C416 VanDerWaalsContact O-SG 3.33Å |
| 413 | E | 87.9 | Confident | 75.1 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 175.4 | -168.1 | 173.5 | 179.4 | 0 | 0 | 111.8 | V408 N409 T410 C416 A417 | V408-E413 WeakPolarHBondContact CG1-OE2 3.49Å; N409-E413 PolarHBondContact O-N 3.39Å; T410-E413 PolarHBondContact O-N 3.27Å; E413-C416 PolarHBondContact O-N 2.87Å; E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.41Å |
| 414 | L | 92.1 | Very high | 77 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 174.3 | -73.7 | 169.3 | 0 | 0 | 0 | 112.7 | T410 C416 A417 E418 | T410-L414 HydrophobicContact CG2-CD1 4.01Å; T410-L414 HydrophobicContact CG2-CG 4.32Å; T410-L414 VanDerWaalsContact O-CB 3.24Å; T410-L414 WeakPolarHBondContact O-CB 3.49Å; T410-L414 WeakPolarHBondContact O-CD1 3.39Å; T410-L414 WeakPolarHBondContact O-CG 3.39Å; T410-L414 PolarHBondContact O-N 2.82Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.99Å; L414-A417 PolarHBondContact O-N 2.87Å; L414-E418 VanDerWaalsContact O-CB 3.31Å; L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 3.28Å |
| 415 | M | 91 | Very high | 79.2 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -36.7 | 174.1 | -74.8 | -175.1 | -57.1 | 0 | 0 | 112.1 | T411 A412 A419 | T411-M415 HydrophobicContact CG2-CE 4.4Å; T411-M415 WeakPolarHBondContact O-CB 3.27Å; T411-M415 VanDerWaalsContact O-CG 3.3Å; T411-M415 WeakPolarHBondContact O-CG 3.37Å; T411-M415 PolarHBondContact O-N 2.99Å; A412-M415 PolarHBondContact O-N 3.29Å; M415-A419 WeakPolarHBondContact O-CB 3.33Å; M415-A419 PolarHBondContact O-N 3.21Å |
| 416 | C | 91.2 | Very high | 80.8 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -42.7 | 172.5 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | A412 E413 L414 A419 I420 | A412-C416 PolarHBondContact O-N 3.27Å; A412-C416 PolarHBondContact O-SG 3.42Å; A412-C416 VanDerWaalsContact O-SG 3.33Å; E413-C416 PolarHBondContact O-N 2.87Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.99Å; C416-A419 PolarHBondContact O-N 3.03Å; C416-I420 WeakPolarHBondContact O-CB 3.4Å; C416-I420 WeakPolarHBondContact O-CD1 3.28Å; C416-I420 WeakPolarHBondContact O-CG1 3.33Å; C416-I420 PolarHBondContact O-N 3.2Å |
| 417 | A | 93.7 | Very high | 82.3 | Confident | 43 Ų | 43 | 101.9 Ų | 101.9 | 36% | 0.355 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E413 L414 I420 L421 | E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.41Å; L414-A417 PolarHBondContact O-N 2.87Å; A417-I420 PolarHBondContact O-N 3.47Å; A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 VanDerWaalsContact O-CG 3.25Å; A417-L421 WeakPolarHBondContact O-CG 3.15Å; A417-L421 PolarHBondContact O-N 3Å |
| 418 | E | 89.9 | Confident | 82.3 | Confident | 124 Ų | 124 | 98.4 Ų | 98.4 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.8 | -47.2 | 175 | -174.7 | 169.2 | -143.1 | 0 | 0 | 111.1 | L414 I420 L421 D422 | L414-E418 VanDerWaalsContact O-CB 3.31Å; L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 3.28Å; E418-I420 PolarHBondContact O-N 3.11Å; E418-L421 PolarHBondContact O-N 3.01Å; E418-D422 PolarHBondContact O-N 2.91Å |
| 419 | A | 93.8 | Very high | 82.4 | Confident | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M415 C416 L421 I423 | M415-A419 WeakPolarHBondContact O-CB 3.33Å; M415-A419 PolarHBondContact O-N 3.21Å; C416-A419 PolarHBondContact O-N 3.03Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-I423 WeakPolarHBondContact O-CB 3.4Å; A419-I423 WeakPolarHBondContact O-CD1 3.22Å; A419-I423 VanDerWaalsContact O-CG1 3.23Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.45Å |
| 420 | I | 93.2 | Very high | 82 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 55% | 0.549 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -40 | 174.8 | -71.1 | 164 | 0 | 0 | 0 | 110.7 | C416 A417 E418 S424 | C416-I420 WeakPolarHBondContact O-CB 3.4Å; C416-I420 WeakPolarHBondContact O-CD1 3.28Å; C416-I420 WeakPolarHBondContact O-CG1 3.33Å; C416-I420 PolarHBondContact O-N 3.2Å; A417-I420 PolarHBondContact O-N 3.47Å; E418-I420 PolarHBondContact O-N 3.11Å; I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.33Å |
| 421 | L | 91.9 | Very high | 80.8 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.7 | -40.5 | 178.2 | -74.6 | 169.7 | 0 | 0 | 0 | 112.2 | A417 E418 A419 S424 K425 | A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 VanDerWaalsContact O-CG 3.25Å; A417-L421 WeakPolarHBondContact O-CG 3.15Å; A417-L421 PolarHBondContact O-N 3Å; E418-L421 PolarHBondContact O-N 3.01Å; A419-L421 VanDerWaalsContact C-N 3.34Å; L421-S424 WeakPolarHBondContact O-CB 3.28Å; L421-S424 PolarHBondContact O-N 3.15Å; L421-K425 WeakPolarHBondContact O-CB 3.28Å; L421-K425 PolarHBondContact O-N 3.27Å |
| 422 | D | 92.2 | Very high | 78.7 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.444 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -35.5 | 176 | -88.4 | -17.4 | 0 | 0 | 0 | 112.7 | E418 K425 T426 | E418-D422 PolarHBondContact O-N 2.91Å; D422-K425 PolarHBondContact O-N 2.87Å; D422-K425 IonicContact OD1-NZ 3.63Å; D422-T426 WeakPolarHBondContact O-CG2 3.13Å; D422-T426 PolarHBondContact O-N 3.41Å; D422-T426 PolarHBondContact O-OG1 3.23Å |
| 423 | I | 88.3 | Confident | 76.6 | Confident | 106 Ų | 106 | 108.1 Ų | 108.1 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.8 | -46.7 | 168.7 | -67.8 | 164.6 | 0 | 0 | 0 | 109.8 | A419 K425 T426 V427 | A419-I423 WeakPolarHBondContact O-CB 3.4Å; A419-I423 WeakPolarHBondContact O-CD1 3.22Å; A419-I423 VanDerWaalsContact O-CG1 3.23Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.45Å; I423-K425 VanDerWaalsContact C-N 3.3Å; I423-K425 PolarHBondContact O-N 2.96Å; I423-T426 WeakPolarHBondContact CA-OG1 3.36Å; I423-T426 PolarHBondContact O-N 3.5Å; I423-T426 PolarHBondContact O-OG1 2.89Å; I423-T426 VanDerWaalsContact O-OG1 3.04Å; I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.01Å; I423-V427 VanDerWaalsContact O-CG2 3.3Å; I423-V427 WeakPolarHBondContact O-CG2 3.46Å; I423-V427 PolarHBondContact O-N 2.66Å |
| 424 | S | 77.9 | Confident | 74.5 | Confident | 55 Ų | 55 | 109.9 Ų | 109.9 | 39% | 0.385 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.7 | -41.6 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 112 | I420 L421 T426 V427 M428 | I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.33Å; L421-S424 WeakPolarHBondContact O-CB 3.28Å; L421-S424 PolarHBondContact O-N 3.15Å; S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.04Å; S424-V427 PolarHBondContact O-N 3.44Å; S424-M428 VanDerWaalsContact O-CB 3.28Å; S424-M428 WeakPolarHBondContact O-CB 3.49Å; S424-M428 WeakPolarHBondContact O-CG 3.16Å; S424-M428 PolarHBondContact O-N 3.05Å |
| 425 | K | 81.8 | Confident | 71.8 | Confident | 159 Ų | 159 | 108.3 Ų | 108.3 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.1 | -17.8 | -179 | -178.2 | 178.7 | 167.2 | -160.8 | 0 | 114 | L421 D422 I423 | L421-K425 WeakPolarHBondContact O-CB 3.28Å; L421-K425 PolarHBondContact O-N 3.27Å; D422-K425 PolarHBondContact O-N 2.87Å; D422-K425 IonicContact OD1-NZ 3.63Å; I423-K425 VanDerWaalsContact C-N 3.3Å; I423-K425 PolarHBondContact O-N 2.96Å |
| 426 | T | 75.9 | Confident | 69.5 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -96.3 | -23.3 | 172.2 | 46.9 | 0 | 0 | 0 | 0 | 113 | D422 I423 S424 | D422-T426 WeakPolarHBondContact O-CG2 3.13Å; D422-T426 PolarHBondContact O-N 3.41Å; D422-T426 PolarHBondContact O-OG1 3.23Å; I423-T426 WeakPolarHBondContact CA-OG1 3.36Å; I423-T426 PolarHBondContact O-N 3.5Å; I423-T426 PolarHBondContact O-OG1 2.89Å; I423-T426 VanDerWaalsContact O-OG1 3.04Å; S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.04Å |
| 427 | V | 72.4 | Confident | 66.6 | Low | 109 Ų | 109 | 110 Ų | 110 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -90.6 | -28.3 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 112.9 | I423 S424 P429 | I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.01Å; I423-V427 VanDerWaalsContact O-CG2 3.3Å; I423-V427 WeakPolarHBondContact O-CG2 3.46Å; I423-V427 PolarHBondContact O-N 2.66Å; S424-V427 PolarHBondContact O-N 3.44Å; V427-P429 WeakPolarHBondContact O-CD 3.28Å |
| 428 | M | 56.5 | Low | 64 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 67% | 0.665 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -73.7 | 124.8 | 173.9 | -74.3 | -61.6 | -61.9 | 0 | 0 | 111.6 | S424 G430 | S424-M428 VanDerWaalsContact O-CB 3.28Å; S424-M428 WeakPolarHBondContact O-CB 3.49Å; S424-M428 WeakPolarHBondContact O-CG 3.16Å; S424-M428 PolarHBondContact O-N 3.05Å; M428-G430 PolarHBondContact O-N 3.26Å |
| 429 | P | 56.5 | Low | 61.2 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.8 | 171.1 | -23.5 | 34.6 | 0 | 0 | 0 | 111 | V427 A431 | V427-P429 WeakPolarHBondContact O-CD 3.28Å; P429-A431 PolarHBondContact O-N 3.44Å |
| 430 | G | 51.9 | Low | 58.3 | Low | 61 Ų | 61 | 118 Ų | 118 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M428 F432 | M428-G430 PolarHBondContact O-N 3.26Å; G430-F432 PolarHBondContact O-N 3.06Å |
| 431 | A | 47.4 | Very low | 55.2 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P429 H433 | P429-A431 PolarHBondContact O-N 3.44Å; A431-H433 PolarHBondContact O-N 2.89Å |
| 432 | F | 39.1 | Very low | 52.3 | Low | 208 Ų | 208 | 117.2 Ų | 117.2 | 91% | 0.912 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.8 | -179.8 | -68.1 | -87.9 | 0 | 0 | 0 | 111.4 | G430 | G430-F432 PolarHBondContact O-N 3.06Š|
| 433 | H | 43.9 | Very low | 50.6 | Low | 183 Ų | 183 | 119.3 Ų | 119.3 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 132.9 | 165.1 | -78.4 | -79.7 | 0 | 0 | 0 | 110.4 | A431 | A431-H433 PolarHBondContact O-N 2.89Š|
| 434 | Q | 44.3 | Very low | 47.6 | Very low | 150 Ų | 150 | 119 Ų | 119 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -97 | 131.6 | -170.8 | -154.1 | 166.8 | 10.6 | 0 | 0 | 110.2 | E875 | Q434-E875 PolarHBondContact NE2-OE2 3.14Š|
| 435 | G | 34.5 | Very low | 45.5 | Very low | 74 Ų | 74 | 125.2 Ų | 125.2 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -154.7 | 144.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 436 | I | 42.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -110.2 | 146.3 | -157.8 | -62.1 | 162.9 | 0 | 0 | 0 | 112.2 | | |
| 437 | G | 31.2 | Very low | 41.7 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -148.1 | 136.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 438 | L | 37.7 | Very low | 39.7 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -119.8 | 154.2 | -175.9 | -74.9 | 167.9 | 0 | 0 | 0 | 112.1 | | |
| 439 | G | 31.4 | Very low | 38.4 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 162.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 440 | T | 32.6 | Very low | 36.9 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -136.1 | 148.9 | -150.6 | -41.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 441 | C | 28.2 | Very low | 35.6 | Very low | 116 Ų | 116 | 125 Ų | 125 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | | 136.7 | 111 | 126.3 | -147.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 442 | A | 31.4 | Very low | 34.5 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | 64.4 | 155.4 | 138 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 443 | P | 56.5 | Low | 34.7 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -134.5 | -177.2 | -160.8 | 43.3 | -24.5 | 0 | 0 | 0 | 117.5 | | |
| 444 | A | 26 | Very low | 33.8 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -142 | 170.3 | 163 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 445 | Q | 32.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -118.5 | 166.5 | -161.1 | -81.3 | -83.8 | -38.1 | 0 | 0 | 115.7 | | |
| 446 | P | 53.8 | Low | 32.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | -114 | -170.3 | -162.5 | 43.8 | -34.8 | 0 | 0 | 0 | 116.2 | | |
| 447 | S | 24 | Very low | 32.1 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -155.5 | 178.4 | 167.9 | -75.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 448 | T | 31.3 | Very low | 32 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | | -148.7 | 161.1 | -129.8 | 0.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 449 | M | 28.9 | Very low | 31.9 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | 72.5 | 158.1 | 158.1 | -64.3 | -62 | 141.1 | 0 | 0 | 118.6 | | |
| 450 | S | 25.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -171.1 | 156 | -15.9 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 451 | S | 24.3 | Very low | 32.5 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | trans | 58.4 | 120.9 | 154.3 | 46.4 | 0 | 0 | 0 | 0 | 121 | | |
| 452 | L | 24.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | | | | 78.3 | 151.8 | 68.1 | -77.2 | 167.9 | 0 | 0 | 0 | 114.7 | | |
| 453 | P | 43.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | cis | -142 | 175.5 | 21.1 | 45.3 | -27.6 | 0 | 0 | 0 | 119.7 | | |
| 454 | D | 23.8 | Very low | 34 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | | | trans | 57.1 | 127.1 | 146.8 | -152 | 49.1 | 0 | 0 | 0 | 119.9 | | |
| 455 | R | 25.1 | Very low | 35.1 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | | -167.9 | 122.5 | 57.5 | -169.2 | 166.2 | -172 | -179.7 | 3.9 | 117.2 | | |
| 456 | H | 27.1 | Very low | 35.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | 54.5 | 129.4 | 161.3 | -66.1 | -37.4 | 0 | 0 | 0 | 119.4 | | |
| 457 | R | 34.2 | Very low | 35.7 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | cis | -137.8 | 138.1 | -2.7 | -60 | -171.1 | 179.8 | 177.3 | -0.2 | 107.3 | | |
| 458 | Y | 29.4 | Very low | 37 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | | 52.8 | 117.6 | 69.9 | -75 | -109.8 | 0 | 0 | 0 | 111.2 | | |
| 459 | E | 34.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | -146.4 | 151.9 | 12.1 | -65 | -64.3 | -139.9 | 0 | 0 | 107.5 | | |
| 460 | E | 38.1 | Very low | 40.2 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | | | cis | 62.3 | 116.8 | 2.7 | -65.1 | -167.1 | 82.1 | 0 | 0 | 118 | | |
| 461 | S | 40.1 | Very low | 42.8 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | | | cis | -158.7 | 159.1 | 2.8 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 462 | N | 49.5 | Very low | 45.3 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | | | trans | 69.7 | 163.7 | 153.3 | -62.3 | -47.2 | 0 | 0 | 0 | 121.6 | | |
| 463 | D | 48.6 | Very low | 48.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | | | trans | 74 | 51.2 | 160.8 | -59.9 | -11.6 | 0 | 0 | 0 | 121.4 | | |
| 464 | S | 47.7 | Very low | 50 | Low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | | | trans | -149.9 | 45.6 | 144.2 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | I466 | S464-I466 VanDerWaalsContact C-N 3.34Å; S464-I466 PolarHBondContact O-N 3.29Å |
| 465 | S | 49.1 | Very low | 53.2 | Low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 74.3 | -176.4 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 466 | I | 48.1 | Very low | 56.4 | Low | 172 Ų | 172 | 128.5 Ų | 128.5 | 88% | 0.882 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | -1.5 | 169.8 | -138.6 | 164 | 0 | 0 | 0 | 115 | S464 | S464-I466 VanDerWaalsContact C-N 3.34Å; S464-I466 PolarHBondContact O-N 3.29Å |
| 467 | D | 52.6 | Low | 59.5 | Low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | | | trans | -125.1 | 97.1 | 173.2 | -169.1 | 6.3 | 0 | 0 | 0 | 108.9 | | |
| 468 | S | 51.7 | Low | 62.3 | Low | 86 Ų | 86 | 123.7 Ų | 123.7 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | | | trans | -159.3 | 64.4 | -173.8 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | D470 G471 | S468-D470 PolarHBondContact O-N 3.36Å; S468-G471 PolarHBondContact O-N 3.28Å |
| 469 | E | 58.1 | Low | 65.3 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -26 | 170.5 | -169.8 | 163.7 | -154.4 | 0 | 0 | 112 | G471 I472 | E469-G471 PolarHBondContact O-N 2.98Å; E469-G471 VanDerWaalsContact O-N 3.11Å; E469-I472 WeakPolarHBondContact O-CG1 3.45Å; E469-I472 PolarHBondContact O-N 2.82Å |
| 470 | D | 67.5 | Low | 68.2 | Low | 81 Ų | 81 | 118.7 Ų | 118.7 | 43% | 0.433 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -55.7 | -22.2 | 168.6 | -130.3 | -43.6 | 0 | 0 | 0 | 113.6 | S468 E473 Q474 R477 | S468-D470 PolarHBondContact O-N 3.36Å; D470-E473 PolarHBondContact O-N 2.89Å; D470-Q474 VanDerWaalsContact O-CB 3.25Å; D470-Q474 WeakPolarHBondContact O-CB 3.4Å; D470-Q474 WeakPolarHBondContact O-CG 3.23Å; D470-Q474 PolarHBondContact O-N 3Å; D470-Q474 PolarHBondContact OD1-NE2 2.92Å; D470-Q474 VanDerWaalsContact OD1-NE2 3.09Å; D470-R477 IonicContact OD1-CZ 2.82Å; D470-R477 IonicContact OD1-NH1 2.72Å; D470-R477 PolarHBondContact OD1-NH1 2.76Å; D470-R477 IonicContact OD1-NH2 3.57Å; D470-R477 PolarHBondContact OD1-NH2 2.77Å |
| 471 | G | 80.2 | Confident | 70.7 | Confident | 38 Ų | 38 | 116 Ų | 116 | 39% | 0.392 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.4 | -47.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | S468 E469 E475 | S468-G471 PolarHBondContact O-N 3.28Å; E469-G471 PolarHBondContact O-N 2.98Å; E469-G471 VanDerWaalsContact O-N 3.11Å; G471-E475 PolarHBondContact O-N 2.94Å |
| 472 | I | 76.9 | Confident | 73 | Confident | 105 Ų | 105 | 117 Ų | 117 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.9 | -34 | 174.9 | 52.3 | 169.8 | 0 | 0 | 0 | 111.5 | E469 E475 I476 | E469-I472 WeakPolarHBondContact O-CG1 3.45Å; E469-I472 PolarHBondContact O-N 2.82Å; I472-E475 PolarHBondContact O-N 2.72Å; I472-I476 WeakPolarHBondContact O-CB 3.49Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.12Å; I472-I476 PolarHBondContact O-N 3.29Å |
| 473 | E | 86 | Confident | 74.9 | Confident | 103 Ų | 103 | 115.7 Ų | 115.7 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.1 | -38.2 | 176.8 | -149 | -161.9 | 111.3 | 0 | 0 | 111.7 | D470 I476 R477 | D470-E473 PolarHBondContact O-N 2.89Å; E473-I476 PolarHBondContact O-N 3.09Å; E473-R477 WeakPolarHBondContact O-CB 3.27Å; E473-R477 VanDerWaalsContact O-CG 3.23Å; E473-R477 WeakPolarHBondContact O-CG 3.38Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 IonicContact OE1-CZ 3Å; E473-R477 IonicContact OE1-NE 3.66Å; E473-R477 PolarHBondContact OE1-NE 3.25Å; E473-R477 IonicContact OE1-NH2 3.13Å; E473-R477 PolarHBondContact OE1-NH2 3.42Å; E473-R477 IonicContact OE2-NH2 2.94Å |
| 474 | Q | 82 | Confident | 76.5 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 172.7 | -74.5 | 171.5 | 44.3 | 0 | 0 | 112.1 | D470 R477 K478 | D470-Q474 VanDerWaalsContact O-CB 3.25Å; D470-Q474 WeakPolarHBondContact O-CB 3.4Å; D470-Q474 WeakPolarHBondContact O-CG 3.23Å; D470-Q474 PolarHBondContact O-N 3Å; D470-Q474 PolarHBondContact OD1-NE2 2.92Å; D470-Q474 VanDerWaalsContact OD1-NE2 3.09Å; Q474-R477 VanDerWaalsContact CG-NH1 3.34Å; Q474-K478 WeakPolarHBondContact O-CB 3.39Å; Q474-K478 PolarHBondContact O-N 2.87Å |
| 475 | E | 90.4 | Very high | 78 | Confident | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 172 | -173.8 | 167.5 | -156.7 | 0 | 0 | 111.8 | G471 I472 K478 F479 | G471-E475 PolarHBondContact O-N 2.94Å; I472-E475 PolarHBondContact O-N 2.72Å; E475-K478 PolarHBondContact O-N 2.9Å; E475-F479 WeakPolarHBondContact O-CB 3.48Å; E475-F479 PolarHBondContact O-N 2.84Å |
| 476 | I | 92.2 | Very high | 79 | Confident | 94 Ų | 94 | 111.8 Ų | 111.8 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -46.1 | 175.1 | -70.1 | 163.6 | 0 | 0 | 0 | 111.3 | I472 E473 K478 F479 L480 | I472-I476 WeakPolarHBondContact O-CB 3.49Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.12Å; I472-I476 PolarHBondContact O-N 3.29Å; E473-I476 PolarHBondContact O-N 3.09Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.43Å; I476-F479 PolarHBondContact O-N 3.16Å; I476-L480 HydrophobicContact CG2-CD1 3.82Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 VanDerWaalsContact O-CG 3.27Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 2.87Å |
| 477 | R | 92.8 | Very high | 79.6 | Confident | 113 Ų | 113 | 111.8 Ų | 111.8 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.8 | -46.8 | 174.6 | -71.3 | 177.4 | -144.9 | 140.7 | 6.7 | 110.4 | D470 E473 Q474 L480 E481 | D470-R477 IonicContact OD1-CZ 2.82Å; D470-R477 IonicContact OD1-NH1 2.72Å; D470-R477 PolarHBondContact OD1-NH1 2.76Å; D470-R477 IonicContact OD1-NH2 3.57Å; D470-R477 PolarHBondContact OD1-NH2 2.77Å; E473-R477 WeakPolarHBondContact O-CB 3.27Å; E473-R477 VanDerWaalsContact O-CG 3.23Å; E473-R477 WeakPolarHBondContact O-CG 3.38Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 IonicContact OE1-CZ 3Å; E473-R477 IonicContact OE1-NE 3.66Å; E473-R477 PolarHBondContact OE1-NE 3.25Å; E473-R477 IonicContact OE1-NH2 3.13Å; E473-R477 PolarHBondContact OE1-NH2 3.42Å; E473-R477 IonicContact OE2-NH2 2.94Å; Q474-R477 VanDerWaalsContact CG-NH1 3.34Å; R477-L480 PolarHBondContact O-N 3.46Å; R477-E481 WeakPolarHBondContact O-CB 3.31Å; R477-E481 PolarHBondContact O-N 3.16Å |
| 478 | K | 92.1 | Very high | 80 | Confident | 146 Ų | 146 | 113 Ų | 113 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 177.5 | -177.2 | -179.5 | 178.4 | -176.4 | 0 | 112.7 | Q474 E475 I476 E481 Q482 | Q474-K478 WeakPolarHBondContact O-CB 3.39Å; Q474-K478 PolarHBondContact O-N 2.87Å; E475-K478 PolarHBondContact O-N 2.9Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.43Å; K478-E481 PolarHBondContact O-N 3.15Å; K478-Q482 VanDerWaalsContact O-CB 3.27Å; K478-Q482 WeakPolarHBondContact O-CB 3.29Å; K478-Q482 PolarHBondContact O-N 2.78Å |
| 479 | F | 93.8 | Very high | 79.5 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 176.3 | 179.9 | -97.5 | 0 | 0 | 0 | 112 | E475 I476 Q482 K483 | E475-F479 WeakPolarHBondContact O-CB 3.48Å; E475-F479 PolarHBondContact O-N 2.84Å; I476-F479 PolarHBondContact O-N 3.16Å; F479-Q482 PolarHBondContact O-N 3.35Å; F479-K483 HydrophobicContact CD1-CG 4.31Å; F479-K483 HydrophobicContact CE1-CG 3.95Å; F479-K483 HydrophobicContact CZ-CG 4.18Å; F479-K483 WeakPolarHBondContact O-CB 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.47Å; F479-K483 PolarHBondContact O-N 3.18Å |
| 480 | L | 94.4 | Very high | 78.7 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.2 | -40.1 | 174.7 | -70.9 | 172 | 0 | 0 | 0 | 111.7 | I476 R477 K483 A484 | I476-L480 HydrophobicContact CG2-CD1 3.82Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 VanDerWaalsContact O-CG 3.27Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 2.87Å; R477-L480 PolarHBondContact O-N 3.46Å; L480-K483 PolarHBondContact O-N 3.2Å; L480-A484 WeakPolarHBondContact O-CB 3.19Å; L480-A484 PolarHBondContact O-N 3.28Å |
| 481 | E | 91.1 | Very high | 77.2 | Confident | 118 Ų | 118 | 116.5 Ų | 116.5 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.6 | -49 | 171 | 176.5 | 170.1 | -149.5 | 0 | 0 | 111.2 | R477 K478 K483 A484 Q485 | R477-E481 WeakPolarHBondContact O-CB 3.31Å; R477-E481 PolarHBondContact O-N 3.16Å; K478-E481 PolarHBondContact O-N 3.15Å; E481-K483 VanDerWaalsContact C-N 3.31Å; E481-K483 PolarHBondContact O-N 3.15Å; E481-A484 CarbonylContact O-C 3.53Å; E481-A484 WeakPolarHBondContact O-CA 3.44Å; E481-A484 WeakPolarHBondContact O-CB 3.39Å; E481-A484 PolarHBondContact O-N 2.6Å; E481-Q485 HydrophobicContact CG-CG 4.38Å; E481-Q485 WeakPolarHBondContact O-CG 3.26Å; E481-Q485 PolarHBondContact O-N 2.87Å; E481-Q485 PolarHBondContact OE1-NE2 2.92Å |
| 482 | Q | 89.4 | Confident | 74.8 | Confident | 109 Ų | 109 | 120.4 Ų | 120.4 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.9 | -41.9 | 177.2 | -172.1 | 176.7 | 8.4 | 0 | 0 | 111.4 | K478 F479 Q485 M486 | K478-Q482 VanDerWaalsContact O-CB 3.27Å; K478-Q482 WeakPolarHBondContact O-CB 3.29Å; K478-Q482 PolarHBondContact O-N 2.78Å; F479-Q482 PolarHBondContact O-N 3.35Å; Q482-Q485 PolarHBondContact O-N 2.99Å; Q482-M486 WeakPolarHBondContact O-CG 3.38Å; Q482-M486 PolarHBondContact O-N 2.86Å |
| 483 | K | 88.7 | Confident | 72.7 | Confident | 115 Ų | 115 | 122 Ų | 122 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.3 | -43.7 | 171.7 | -83.2 | -72.9 | -171.4 | 177.7 | 0 | 112.5 | F479 L480 E481 Q485 M486 H487 | F479-K483 HydrophobicContact CD1-CG 4.31Å; F479-K483 HydrophobicContact CE1-CG 3.95Å; F479-K483 HydrophobicContact CZ-CG 4.18Å; F479-K483 WeakPolarHBondContact O-CB 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.47Å; F479-K483 PolarHBondContact O-N 3.18Å; L480-K483 PolarHBondContact O-N 3.2Å; E481-K483 VanDerWaalsContact C-N 3.31Å; E481-K483 PolarHBondContact O-N 3.15Å; K483-Q485 VanDerWaalsContact C-N 3.3Å; K483-Q485 PolarHBondContact O-N 3.39Å; K483-M486 PolarHBondContact O-N 2.96Å; K483-H487 PolarHBondContact O-N 3.2Å |
| 484 | A | 82.2 | Confident | 70.2 | Confident | 52 Ų | 52 | 126 Ų | 126 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.6 | -27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L480 E481 K488 | L480-A484 WeakPolarHBondContact O-CB 3.19Å; L480-A484 PolarHBondContact O-N 3.28Å; E481-A484 CarbonylContact O-C 3.53Å; E481-A484 WeakPolarHBondContact O-CA 3.44Å; E481-A484 WeakPolarHBondContact O-CB 3.39Å; E481-A484 PolarHBondContact O-N 2.6Å; A484-K488 WeakPolarHBondContact O-CD 3.47Å; A484-K488 WeakPolarHBondContact O-CG 3.33Å |
| 485 | Q | 78.3 | Confident | 67.4 | Low | 111 Ų | 111 | 129.4 Ų | 129.4 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -78.1 | -40 | 172.6 | -68.4 | -178.2 | 18.3 | 0 | 0 | 112 | E481 Q482 K483 H487 K488 | E481-Q485 HydrophobicContact CG-CG 4.38Å; E481-Q485 WeakPolarHBondContact O-CG 3.26Å; E481-Q485 PolarHBondContact O-N 2.87Å; E481-Q485 PolarHBondContact OE1-NE2 2.92Å; Q482-Q485 PolarHBondContact O-N 2.99Å; K483-Q485 VanDerWaalsContact C-N 3.3Å; K483-Q485 PolarHBondContact O-N 3.39Å; Q485-H487 PolarHBondContact O-N 3.37Å; Q485-K488 WeakPolarHBondContact O-CB 3.18Å; Q485-K488 PolarHBondContact O-N 3.46Å |
| 486 | M | 71.8 | Confident | 65 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.2 | -34.4 | 173.3 | -73.9 | -177.9 | 81 | 0 | 0 | 112.4 | Q482 K483 K488 | Q482-M486 WeakPolarHBondContact O-CG 3.38Å; Q482-M486 PolarHBondContact O-N 2.86Å; K483-M486 PolarHBondContact O-N 2.96Å; M486-K488 PolarHBondContact O-N 2.89Å |
| 487 | H | 59.1 | Low | 61.7 | Low | 171 Ų | 171 | 129.6 Ų | 129.6 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 10.2 | 176.8 | -152.3 | -59.9 | 0 | 0 | 0 | 113.9 | K483 Q485 | K483-H487 PolarHBondContact O-N 3.2Å; Q485-H487 PolarHBondContact O-N 3.37Å |
| 488 | K | 60.7 | Low | 58.4 | Low | 171 Ų | 171 | 127.8 Ų | 127.8 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 2.4 | -178.8 | -76.8 | 177.9 | 179.4 | 179.6 | 0 | 115.2 | A484 Q485 M486 | A484-K488 WeakPolarHBondContact O-CD 3.47Å; A484-K488 WeakPolarHBondContact O-CG 3.33Å; Q485-K488 WeakPolarHBondContact O-CB 3.18Å; Q485-K488 PolarHBondContact O-N 3.46Å; M486-K488 PolarHBondContact O-N 2.89Å |
| 489 | Q | 42.2 | Very low | 55.4 | Low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | | | trans | -99.9 | 129.1 | 176.4 | -65.5 | -167.2 | -1.9 | 0 | 0 | 112.2 | | |
| 490 | P | 41.8 | Very low | 52.3 | Low | 96 Ų | 96 | 128.5 Ų | 128.5 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | | | trans | -75 | 155.2 | 163.9 | 33.5 | -33.7 | 0 | 0 | 0 | 110.4 | T492 | P490-T492 PolarHBondContact O-N 3.47Å; P490-T492 VanDerWaalsContact O-N 3.09Å; P490-T492 PolarHBondContact O-OG1 2.81Å |
| 491 | P | 36.1 | Very low | 49.1 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | | | trans | -65.6 | 113.4 | -178.7 | 27.3 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 492 | T | 28.9 | Very low | 47 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | | | trans | -107.2 | 132.9 | 173.4 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | P490 | P490-T492 PolarHBondContact O-N 3.47Å; P490-T492 VanDerWaalsContact O-N 3.09Å; P490-T492 PolarHBondContact O-OG1 2.81Å |
| 493 | V | 33.4 | Very low | 44 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | | | trans | -84 | 136.2 | 179 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 494 | E | 33.8 | Very low | 41.3 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | | | trans | -115.6 | 121.2 | 169.3 | -72.7 | -165.3 | -179.1 | 0 | 0 | 111.7 | | |
| 495 | E | 23 | Very low | 38.7 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | -157.9 | 159.3 | 151.5 | -127 | -147.9 | 148.7 | 0 | 0 | 108 | | |
| 496 | P | 38.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | | -128.9 | 177.8 | -83.2 | 40.1 | -28.6 | 0 | 0 | 0 | 114.7 | | |
| 497 | C | 22.6 | Very low | 34.3 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | | | trans | 78.8 | 133.7 | 159.2 | -156.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 498 | G | 24.9 | Very low | 32.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | 172.7 | 127 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 499 | V | 29.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -107.6 | 162.7 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 500 | V | 28.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | 105.6 | 131.7 | 169.2 | -174.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 501 | D | 26.4 | Very low | 30.3 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | trans | -125.6 | 176.1 | 177.5 | -174.2 | 42.2 | 0 | 0 | 0 | 107.6 | | |
| 502 | P | 46.8 | Very low | 30.1 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | | -98.2 | 175.1 | -86 | 34 | -18.2 | 0 | 0 | 0 | 113 | | |
| 503 | E | 27.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 135 Ų | 135 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -152.6 | 172.6 | 151.3 | -115.5 | -51.1 | 121.2 | 0 | 0 | 112.1 | | |
| 504 | K | 30.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -97.2 | 155.1 | -161.6 | -52.5 | 171.6 | -155.5 | 72.3 | 0 | 112.8 | | |
| 505 | G | 28.4 | Very low | 30.7 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -170.5 | 99.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 506 | K | 29.9 | Very low | 31.2 | Very low | 222 Ų | 222 | 129.7 Ų | 129.7 | 97% | 0.965 | 77% | 0.766 | S | S | * | * | | | trans | -87.8 | 141.4 | 157.1 | -76.5 | -171 | 176 | -170.7 | 0 | 108.6 | | |
| 507 | G | 28.6 | Very low | 31.1 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 176.6 | 101.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 508 | E | 29.9 | Very low | 31.7 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -84.9 | 138.5 | 162.5 | -63.1 | 165.4 | 112.6 | 0 | 0 | 107.8 | | |
| 509 | D | 29.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | | -175.4 | 171.2 | 116.9 | -117.9 | -41.9 | 0 | 0 | 0 | 114.2 | | |
| 510 | A | 30.5 | Very low | 32.6 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | -93.3 | 155.1 | -156.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 511 | A | 29.4 | Very low | 33 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 72 | 164.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 512 | T | 32.1 | Very low | 33.8 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | cis | -156.4 | 157 | 11.9 | -22.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 513 | Q | 37.8 | Very low | 33.4 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | 67.2 | 158.3 | 156.7 | -62.4 | -173.1 | 53.8 | 0 | 0 | 118 | | |
| 514 | Q | 35.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | | | cis | -147.4 | 166.3 | -15.2 | -124.6 | -165.9 | 104.7 | 0 | 0 | 112.5 | | |
| 515 | K | 34.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | | | trans | -16 | 159.6 | 156.2 | -61.2 | 175.9 | -159.6 | 135.4 | 0 | 119 | | |
| 516 | S | 32.4 | Very low | 35.3 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | cis | 175.4 | 179.5 | -13.8 | -84 | 0 | 0 | 0 | 0 | 108.7 | | |
| 517 | Q | 36.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | 84.4 | 144.8 | 160.4 | -54 | -167 | 57.4 | 0 | 0 | 116.5 | | |
| 518 | R | 36.8 | Very low | 35.9 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | cis | -155.9 | 130.1 | -9.7 | -113.4 | 176.9 | 171.2 | 170.5 | -4.8 | 108.6 | | |
| 519 | L | 33.7 | Very low | 36.1 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | | | | 66.6 | 111.2 | 85 | -61.7 | -170.6 | 0 | 0 | 0 | 118.5 | L521 | L519-L521 HydrophobicContact CD2-CD1 3.99Š|
| 520 | S | 38.3 | Very low | 36.4 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | | | trans | -174.9 | 111 | 139 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 521 | L | 36.5 | Very low | 36.4 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | | | cis | 75.7 | 96.6 | 1.8 | -150.5 | 178.3 | 0 | 0 | 0 | 117.7 | L519 | L519-L521 HydrophobicContact CD2-CD1 3.99Š|
| 522 | T | 43.2 | Very low | 36.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | | | trans | -175.7 | 139.6 | 148.5 | 29.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 523 | Q | 38.7 | Very low | 36.7 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | | | cis | -131.2 | -141 | -8.7 | -77.9 | 151.9 | 35.9 | 0 | 0 | 107.4 | | |
| 524 | K | 42.8 | Very low | 36.1 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | cis | -168.5 | 149.8 | -4.8 | -144 | 160.2 | -171 | 149.5 | 0 | 108.4 | | |
| 525 | R | 42.1 | Very low | 36 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | | | cis | -160.2 | 112.8 | -42 | 169.4 | 172.1 | 167.9 | 135 | -2.4 | 111.2 | | |
| 526 | K | 42.5 | Very low | 35.7 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | | | trans | 53.8 | 154.5 | 141.7 | -74 | 175.9 | 166.8 | -103.9 | 0 | 121.2 | | |
| 527 | Q | 36.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 145 Ų | 145 | 58% | 0.575 | 73% | 0.733 | S | S | * | * | | | cis | -147.6 | -151.6 | -13.9 | -136.4 | 161.8 | -57.3 | 0 | 0 | 106.1 | E529 | Q527-E529 PolarHBondContact NE2-OE2 3.39Š|
| 528 | K | 33.9 | Very low | 35.2 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | -154.7 | 144.2 | 7.3 | 165.1 | -166.5 | 170 | -165.3 | 0 | 104.9 | | |
| 529 | E | 33.9 | Very low | 34.7 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | | | cis | 96.5 | 92 | 19.4 | -161.2 | -174.9 | -160.2 | 0 | 0 | 117.6 | Q527 | Q527-E529 PolarHBondContact NE2-OE2 3.39Š|
| 530 | K | 35.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | | 169.6 | 156.3 | 122.1 | -96.3 | -165.9 | 146.7 | -78.7 | 0 | 112 | | |
| 531 | S | 30 | Very low | 34 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 49% | 0.49 | 74% | 0.742 | S | S | . | * | | | cis | -175.5 | 123.2 | -39.6 | 52.7 | 0 | 0 | 0 | 0 | 113 | | |
| 532 | V | 33.7 | Very low | 33.7 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | | | trans | 76.3 | 149.2 | 136.5 | 179.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 533 | T | 34.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -99.6 | 156.4 | -166.3 | -23.4 | 0 | 0 | 0 | 0 | 115 | | |
| 534 | V | 25.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | trans | -147 | 162.7 | 155.6 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 535 | A | 33.4 | Very low | 31.7 | Very low | 75 Ų | 75 | 138 Ų | 138 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | -145.9 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 536 | N | 28.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 76.6 | 134.2 | 160.6 | -57.5 | -12.6 | 0 | 0 | 0 | 121.1 | | |
| 537 | M | 33.3 | Very low | 30 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | | 163.4 | 142.4 | 105.4 | -80.5 | -57 | -87.7 | 0 | 0 | 114.3 | | |
| 538 | S | 26.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | 63 | 154.2 | 166.4 | 67 | 0 | 0 | 0 | 0 | 119.9 | | |
| 539 | G | 25.8 | Very low | 29.2 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | cis | 159 | 132.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 540 | A | 29 | Very low | 29 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 67.7 | 157.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 541 | D | 28 | Very low | 28.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | cis | -156.2 | 168.1 | -2.1 | -140.2 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 542 | E | 29.6 | Very low | 28.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 64% | 0.64 | 76% | 0.764 | S | S | * | * | | | trans | 38.2 | 125.3 | 150.8 | -86.2 | -115 | 105.4 | 0 | 0 | 126.1 | | |
| 543 | K | 27.5 | Very low | 28 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | | | | 88.5 | 96.5 | 118.4 | -159.9 | -168.8 | -126.3 | 82.3 | 0 | 124.2 | | |
| 544 | C | 27.2 | Very low | 27.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | | 49.1 | 143.8 | 125.9 | -54 | 0 | 0 | 0 | 0 | 126.4 | | |
| 545 | K | 27.7 | Very low | 28 | Very low | 184 Ų | 184 | 134 Ų | 134 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | 90.4 | 100.2 | 150.1 | -75 | -176.3 | 175 | -168.9 | 0 | 122.6 | | |
| 546 | E | 23.6 | Very low | 27.7 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | | | | 45.9 | 105.8 | 103.8 | -167.1 | -177.7 | -163.8 | 0 | 0 | 120.2 | | |
| 547 | T | 26.7 | Very low | 27.7 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | | 177.3 | 119 | 110.9 | 42.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 548 | T | 27.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | | 64.5 | 115.3 | 125.5 | -42.4 | 0 | 0 | 0 | 0 | 123.6 | | |
| 549 | E | 25.7 | Very low | 27.9 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | 69.6 | 149.2 | 146 | -71.9 | 170.7 | -167.2 | 0 | 0 | 121.6 | | |
| 550 | H | 28.3 | Very low | 28.6 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | | | cis | -154.8 | 163 | 0.3 | -127.8 | -34.7 | 0 | 0 | 0 | 112.3 | | |
| 551 | A | 25.5 | Very low | 28.6 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | trans | 63 | 136.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 552 | R | 28.3 | Very low | 28.5 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | | | cis | -164.1 | 159.5 | -4.8 | -99.7 | -176.1 | 165.5 | -127.5 | -1.1 | 104.2 | | |
| 553 | E | 26.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | | | cis | -174.7 | 169.7 | -2.1 | -113.5 | 163.6 | -175.5 | 0 | 0 | 106.7 | | |
| 554 | S | 30.3 | Very low | 28.9 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | | | cis | -163.3 | -165.5 | -8.1 | -163.8 | 0 | 0 | 0 | 0 | 109 | | |
| 555 | N | 28.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | 86.8 | 134.7 | 153.9 | -61.5 | -6.4 | 0 | 0 | 0 | 120.4 | | |
| 556 | A | 27.6 | Very low | 30.6 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | trans | 55.4 | 100.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 557 | L | 29.4 | Very low | 31.2 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | | 83.9 | 104.3 | 58.1 | -85.6 | 96.7 | 0 | 0 | 0 | 117.8 | | |
| 558 | T | 25.8 | Very low | 31.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 25.7 | 136 | 133.2 | -4.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 559 | L | 36.9 | Very low | 31.9 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | | | trans | -58 | 165.8 | 147.5 | -110.8 | 74.8 | 0 | 0 | 0 | 112.2 | | |
| 560 | P | 40.7 | Very low | 32.2 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | | | | -153.6 | -126.9 | 54 | 43.9 | -19.7 | 0 | 0 | 0 | 116.9 | | |
| 561 | Q | 29.1 | Very low | 32.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -105.3 | 147.6 | -154 | -61.5 | 176.4 | -92 | 0 | 0 | 116.1 | | |
| 562 | R | 27 | Very low | 33.2 | Very low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | | | | 71.8 | 123.6 | 127.5 | -173.9 | -179.3 | -174.3 | 156.2 | 5.2 | 121.7 | | |
| 563 | S | 29.5 | Very low | 33.6 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | 70.1 | 118.3 | 151.1 | 62.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 564 | Q | 36.5 | Very low | 34.2 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | | 44.2 | 145.6 | 128.8 | -67.6 | -102.3 | -34.1 | 0 | 0 | 120.7 | | |
| 565 | P | 45.5 | Very low | 34.4 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | | | cis | -136.7 | -166 | 3.6 | 41.4 | -20.8 | 0 | 0 | 0 | 115.7 | | |
| 566 | Q | 44.6 | Very low | 34.9 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -14.8 | 149.1 | 168.3 | -51.1 | -66.9 | -0.7 | 0 | 0 | 121.3 | | |
| 567 | P | 35.9 | Very low | 35.1 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -135 | 158 | 153.2 | 39.8 | -26.3 | 0 | 0 | 0 | 116.7 | | |
| 568 | S | 33 | Very low | 35.1 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | -148.4 | 159.8 | 154.1 | 60.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 569 | T | 36.4 | Very low | 36 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -116 | 165.7 | -157.3 | 43.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 570 | A | 31.4 | Very low | 36.5 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | -150.6 | -169.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 571 | L | 34.3 | Very low | 36.9 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | cis | -158.9 | 163.5 | 12.2 | -141.9 | 175.2 | 0 | 0 | 0 | 109.1 | | |
| 572 | H | 39.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | | | trans | -79.4 | 169.9 | 172.6 | -84.3 | -97 | 0 | 0 | 0 | 113.9 | | |
| 573 | Q | 37.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -147.2 | 154.2 | 169.7 | -76.8 | 176.5 | 83.1 | 0 | 0 | 107.9 | | |
| 574 | A | 39.5 | Very low | 39.7 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | cis | -161.4 | -174.2 | -17.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 575 | D | 33.8 | Very low | 40.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | cis | -153.6 | 149.4 | 7 | 170.9 | 52.6 | 0 | 0 | 0 | 110.1 | | |
| 576 | Q | 37.7 | Very low | 40.9 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | | | trans | 166.2 | 139.5 | 138.2 | -95.7 | 162.2 | 103.4 | 0 | 0 | 112.8 | | |
| 577 | S | 32.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | 69.4 | 159.2 | 154.6 | 80.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 578 | G | 29.1 | Very low | 43.5 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 98.9 | 116.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 579 | D | 44.9 | Very low | 45.6 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 157.2 | 151.3 | -62.5 | -73 | 0 | 0 | 0 | 110.4 | | |
| 580 | K | 47.2 | Very low | 47.9 | Very low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | | | trans | 103.1 | 133.9 | 159.1 | -57.3 | 150.9 | -171.8 | 173.3 | 0 | 116.7 | | |
| 581 | S | 48.9 | Very low | 50.4 | Low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -58 | 153.2 | 176.2 | -32.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 582 | S | 46 | Very low | 52.6 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | | | trans | -133.9 | 153.8 | 145.7 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 583 | S | 51.8 | Low | 54.6 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | | | trans | -161 | 106.6 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 584 | L | 47.5 | Very low | 56.9 | Low | 137 Ų | 137 | 115.4 Ų | 115.4 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | | | trans | -170.9 | 126.4 | 168.5 | -108.7 | 162.1 | 0 | 0 | 0 | 108.9 | | |
| 585 | D | 50.5 | Low | 59 | Low | 154 Ų | 154 | 116 Ų | 116 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | | | trans | 166.1 | 79.1 | 143.5 | -92.7 | -4.8 | 0 | 0 | 0 | 108.1 | | |
| 586 | S | 55.3 | Low | 61.4 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | | | trans | -136.7 | 7.1 | 173.1 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 587 | D | 65.1 | Low | 63.4 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -97.3 | -25.8 | -172.5 | -63.1 | -27.6 | 0 | 0 | 0 | 112.3 | L590 D591 | D587-L590 WeakPolarHBondContact O-CB 3.36Å; D587-L590 PolarHBondContact O-N 2.86Å; D587-D591 PolarHBondContact O-N 3.42Å |
| 588 | E | 70 | Confident | 65.5 | Low | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.8 | -37.5 | 178.2 | -169.6 | 61 | -134.4 | 0 | 0 | 112.4 | L590 D591 T592 K595 | E588-L590 VanDerWaalsContact C-N 3.34Å; E588-D591 PolarHBondContact O-N 2.87Å; E588-T592 VanDerWaalsContact O-CB 3.3Å; E588-T592 WeakPolarHBondContact O-CB 3.43Å; E588-T592 PolarHBondContact O-N 3.39Å; E588-T592 PolarHBondContact O-OG1 2.84Å; E588-K595 IonicContact OE1-NZ 2.66Å |
| 589 | D | 78.7 | Confident | 67.6 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 171.7 | -85 | -24.1 | 0 | 0 | 0 | 111.6 | T592 A593 | D589-T592 PolarHBondContact O-N 2.84Å; D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.45Å |
| 590 | L | 83.8 | Confident | 68.5 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.9 | -44.8 | 177.9 | 179.1 | 61.6 | 0 | 0 | 0 | 110.7 | D587 E588 T592 A593 I594 | D587-L590 WeakPolarHBondContact O-CB 3.36Å; D587-L590 PolarHBondContact O-N 2.86Å; E588-L590 VanDerWaalsContact C-N 3.34Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.34Å; L590-A593 PolarHBondContact O-N 2.81Å; L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.41Å; L590-I594 HydrophobicContact CG-CD1 3.91Å; L590-I594 WeakPolarHBondContact O-CB 3.37Å; L590-I594 WeakPolarHBondContact O-CG1 3.31Å; L590-I594 PolarHBondContact O-N 3.23Å |
| 591 | D | 83.9 | Confident | 68.9 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.3 | -33.1 | 179.7 | -146.3 | 50 | 0 | 0 | 0 | 111.5 | D587 E588 I594 K595 | D587-D591 PolarHBondContact O-N 3.42Å; E588-D591 PolarHBondContact O-N 2.87Å; D591-I594 PolarHBondContact O-N 2.99Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.28Å; D591-K595 WeakPolarHBondContact O-CD 3.32Å; D591-K595 WeakPolarHBondContact O-CG 3.22Å; D591-K595 PolarHBondContact O-N 3.36Å; D591-K595 WeakPolarHBondContact OD2-CE 3.37Å; D591-K595 IonicContact OD2-NZ 3.6Å; D591-K595 PolarHBondContact OD2-NZ 2.99Å |
| 592 | T | 81.3 | Confident | 69.2 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 41% | 0.411 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -47.3 | 170.4 | -63.8 | 0 | 0 | 0 | 0 | 112 | E588 D589 L590 I594 K595 D596 | E588-T592 VanDerWaalsContact O-CB 3.3Å; E588-T592 WeakPolarHBondContact O-CB 3.43Å; E588-T592 PolarHBondContact O-N 3.39Å; E588-T592 PolarHBondContact O-OG1 2.84Å; D589-T592 PolarHBondContact O-N 2.84Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.34Å; T592-I594 VanDerWaalsContact C-N 3.31Å; T592-I594 PolarHBondContact O-N 3.36Å; T592-K595 PolarHBondContact O-N 3.44Å; T592-D596 PolarHBondContact O-N 2.96Å |
| 593 | A | 80.6 | Confident | 69.4 | Low | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.4 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D589 L590 L597 | D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.45Å; L590-A593 PolarHBondContact O-N 2.81Å; A593-L597 WeakPolarHBondContact O-CB 3.5Å; A593-L597 PolarHBondContact O-N 2.88Å |
| 594 | I | 86.4 | Confident | 69.5 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 36% | 0.364 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.2 | -44.2 | 174.2 | -72.6 | 168.2 | 0 | 0 | 0 | 110.9 | L590 D591 T592 L597 L598 | L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.41Å; L590-I594 HydrophobicContact CG-CD1 3.91Å; L590-I594 WeakPolarHBondContact O-CB 3.37Å; L590-I594 WeakPolarHBondContact O-CG1 3.31Å; L590-I594 PolarHBondContact O-N 3.23Å; D591-I594 PolarHBondContact O-N 2.99Å; T592-I594 VanDerWaalsContact C-N 3.31Å; T592-I594 PolarHBondContact O-N 3.36Å; I594-L597 PolarHBondContact O-N 2.97Å; I594-L598 HydrophobicContact CG2-CD1 3.82Å; I594-L598 VanDerWaalsContact O-CD1 3.24Å; I594-L598 WeakPolarHBondContact O-CD1 3.25Å; I594-L598 PolarHBondContact O-N 2.74Å |
| 595 | K | 84.1 | Confident | 69.3 | Low | 104 Ų | 104 | 117.2 Ų | 117.2 | 45% | 0.452 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.3 | -50.7 | 176.5 | -75.7 | 157.3 | -165.8 | 149.4 | 0 | 111.3 | E588 D591 T592 L598 K599 | E588-K595 IonicContact OE1-NZ 2.66Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.28Å; D591-K595 WeakPolarHBondContact O-CD 3.32Å; D591-K595 WeakPolarHBondContact O-CG 3.22Å; D591-K595 PolarHBondContact O-N 3.36Å; D591-K595 WeakPolarHBondContact OD2-CE 3.37Å; D591-K595 IonicContact OD2-NZ 3.6Å; D591-K595 PolarHBondContact OD2-NZ 2.99Å; T592-K595 PolarHBondContact O-N 3.44Å; K595-L598 PolarHBondContact O-N 3.2Å; K595-K599 VanDerWaalsContact O-CB 3.28Å; K595-K599 WeakPolarHBondContact O-CB 3.43Å; K595-K599 PolarHBondContact O-N 3.45Å |
| 596 | D | 83.1 | Confident | 68.7 | Low | 72 Ų | 72 | 116.8 Ų | 116.8 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.5 | -34.8 | 179.3 | -99.1 | 6.7 | 0 | 0 | 0 | 112.6 | T592 L598 K599 H600 | T592-D596 PolarHBondContact O-N 2.96Å; D596-L598 PolarHBondContact O-N 2.89Å; D596-K599 WeakPolarHBondContact O-CB 3.28Å; D596-K599 PolarHBondContact O-N 2.97Å; D596-K599 WeakPolarHBondContact OD1-CD 3.36Å; D596-K599 IonicContact OD1-NZ 3.54Å; D596-K599 PolarHBondContact OD1-NZ 2.95Å; D596-H600 PolarHBondContact O-CD2 3.47Å; D596-H600 PolarHBondContact O-N 3.1Å |
| 597 | L | 80.5 | Confident | 67.8 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.6 | -40.1 | 172.5 | -179.5 | 60.5 | 0 | 0 | 0 | 112.3 | A593 I594 R601 | A593-L597 WeakPolarHBondContact O-CB 3.5Å; A593-L597 PolarHBondContact O-N 2.88Å; I594-L597 PolarHBondContact O-N 2.97Å; L597-R601 HydrophobicContact CD1-CG 4.27Å; L597-R601 VanDerWaalsContact O-CB 3.24Å; L597-R601 WeakPolarHBondContact O-CB 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.28Å; L597-R601 WeakPolarHBondContact O-CG 3.27Å; L597-R601 PolarHBondContact O-N 3.04Å |
| 598 | L | 77.7 | Confident | 66.2 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 173.2 | -96.1 | 78.8 | 0 | 0 | 0 | 111.7 | I594 K595 D596 R601 K602 | I594-L598 HydrophobicContact CG2-CD1 3.82Å; I594-L598 VanDerWaalsContact O-CD1 3.24Å; I594-L598 WeakPolarHBondContact O-CD1 3.25Å; I594-L598 PolarHBondContact O-N 2.74Å; K595-L598 PolarHBondContact O-N 3.2Å; D596-L598 PolarHBondContact O-N 2.89Å; L598-R601 PolarHBondContact O-N 2.9Å; L598-K602 WeakPolarHBondContact O-CB 3.31Å; L598-K602 PolarHBondContact O-N 3.28Å |
| 599 | K | 73.3 | Confident | 65 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 60% | 0.604 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -46.8 | -179.9 | -168.2 | -177.9 | 176.2 | -171.6 | 0 | 111.4 | K595 D596 K602 | K595-K599 VanDerWaalsContact O-CB 3.28Å; K595-K599 WeakPolarHBondContact O-CB 3.43Å; K595-K599 PolarHBondContact O-N 3.45Å; D596-K599 WeakPolarHBondContact O-CB 3.28Å; D596-K599 PolarHBondContact O-N 2.97Å; D596-K599 WeakPolarHBondContact OD1-CD 3.36Å; D596-K599 IonicContact OD1-NZ 3.54Å; D596-K599 PolarHBondContact OD1-NZ 2.95Å; K599-K602 PolarHBondContact O-N 3.22Å |
| 600 | H | 63.6 | Low | 62.7 | Low | 141 Ų | 141 | 124 Ų | 124 | 65% | 0.653 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -35 | 173.5 | -81.7 | -82.6 | 0 | 0 | 0 | 113.2 | D596 | D596-H600 PolarHBondContact O-CD2 3.47Å; D596-H600 PolarHBondContact O-N 3.1Å |
| 601 | R | 54.6 | Low | 60.1 | Low | 186 Ų | 186 | 128.2 Ų | 128.2 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.1 | -20.1 | 176.9 | -78.6 | -178.5 | 158.2 | -163.1 | -5.7 | 114.4 | L597 L598 C603 | L597-R601 HydrophobicContact CD1-CG 4.27Å; L597-R601 VanDerWaalsContact O-CB 3.24Å; L597-R601 WeakPolarHBondContact O-CB 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.28Å; L597-R601 WeakPolarHBondContact O-CG 3.27Å; L597-R601 PolarHBondContact O-N 3.04Å; L598-R601 PolarHBondContact O-N 2.9Å; R601-C603 PolarHBondContact O-N 3.28Å |
| 602 | K | 56.3 | Low | 57.4 | Low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -7.4 | -178.8 | -155.5 | 164.9 | -174.6 | 174.5 | 0 | 114.2 | L598 K599 | L598-K602 WeakPolarHBondContact O-CB 3.31Å; L598-K602 PolarHBondContact O-N 3.28Å; K599-K602 PolarHBondContact O-N 3.22Å |
| 603 | C | 48.4 | Very low | 55 | Low | 115 Ų | 115 | 132 Ų | 132 | 78% | 0.777 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 11.4 | 178.6 | -68.4 | 0 | 0 | 0 | 0 | 114.7 | R601 | R601-C603 PolarHBondContact O-N 3.28Š|
| 604 | I | 54.8 | Low | 52.6 | Low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | | | trans | -122 | 77.5 | 177.2 | -50.1 | -177.8 | 0 | 0 | 0 | 111.3 | | |
| 605 | K | 44.1 | Very low | 50 | Low | 180 Ų | 180 | 137.8 Ų | 137.8 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | | | trans | -169.2 | 137.7 | 152.2 | -108.5 | 163.5 | -173.4 | 176.1 | 0 | 109.7 | | |
| 606 | D | 37.3 | Very low | 47.4 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | | | trans | 64.1 | 125.6 | 159.2 | -41.5 | -24 | 0 | 0 | 0 | 116.1 | | |
| 607 | E | 36.4 | Very low | 44.9 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | cis | -152 | 177.5 | -3.6 | -70.1 | -147.4 | 124.1 | 0 | 0 | 110.9 | | |
| 608 | E | 30.3 | Very low | 42.7 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | | | trans | -132.9 | 142.5 | 155.2 | -153.1 | -130.7 | 149.6 | 0 | 0 | 106.8 | K1082 | E608-K1082 IonicContact OE2-NZ 3.8Š|
| 609 | P | 45.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | | | cis | -132 | 157.8 | -0.8 | 39 | -23.3 | 0 | 0 | 0 | 115.8 | | |
| 610 | L | 29.9 | Very low | 38.3 | Very low | 176 Ų | 176 | 158.3 Ų | 158.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -159.9 | 162.8 | 130.9 | -135.6 | 68.3 | 0 | 0 | 0 | 112.6 | | |
| 611 | M | 30.5 | Very low | 36.7 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -82 | 147.6 | -170.8 | -59.4 | 164.4 | 61.6 | 0 | 0 | 113.7 | | |
| 612 | G | 27.7 | Very low | 35.5 | Very low | 62 Ų | 62 | 159.7 Ų | 159.7 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | | | trans | 137 | 129.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 613 | N | 30.1 | Very low | 34.2 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | 83.2 | 100.3 | 141 | -53.9 | -14.6 | 0 | 0 | 0 | 120.1 | | |
| 614 | A | 29.9 | Very low | 34.2 | Very low | 101 Ų | 101 | 156.8 Ų | 156.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | | 67.2 | 131.7 | 113 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 615 | L | 31.1 | Very low | 33 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -49.2 | 155.8 | -175.9 | -60.6 | 171.6 | 0 | 0 | 0 | 117.2 | | |
| 616 | H | 31 | Very low | 32.5 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | | | trans | -32.2 | 148.3 | 162.8 | 55.5 | -97.4 | 0 | 0 | 0 | 116.2 | | |
| 617 | N | 30.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -148.1 | 161.1 | 147.6 | -128.8 | -56.8 | 0 | 0 | 0 | 112.7 | | |
| 618 | R | 33.3 | Very low | 31.9 | Very low | 233 Ų | 233 | 150.7 Ų | 150.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 150.1 | -160 | -69.5 | 178.4 | 173.4 | 170.5 | -2.4 | 114.3 | | |
| 619 | K | 31.1 | Very low | 31.9 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | -73 | 133.1 | 162.2 | -64.3 | 173.8 | -176.9 | 169.8 | 0 | 109.9 | | |
| 620 | F | 28.2 | Very low | 31.2 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 93% | 0.934 | 81% | 0.81 | S | S | * | * | | | trans | -137 | 145 | 134 | -99.5 | -78.5 | 0 | 0 | 0 | 108.5 | | |
| 621 | K | 29.4 | Very low | 31.3 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | trans | -114.4 | 131.1 | -173.2 | -104.8 | -82.9 | -170.6 | 175.7 | 0 | 109.2 | | |
| 622 | H | 28.3 | Very low | 31.5 | Very low | 195 Ų | 195 | 146 Ų | 146 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | | | trans | -145.8 | 147.4 | 143.8 | -106.3 | -80.2 | 0 | 0 | 0 | 109.7 | | |
| 623 | E | 29 | Very low | 31.7 | Very low | 141 Ų | 141 | 152 Ų | 152 | 66% | 0.659 | 80% | 0.8 | S | S | * | * | | | trans | -164.6 | 163.4 | -169.9 | -100 | -101.9 | 127 | 0 | 0 | 106.3 | | |
| 624 | P | 49.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | cis | -128.2 | 179 | -47.1 | 36.9 | -21.9 | 0 | 0 | 0 | 111.1 | | |
| 625 | G | 29.1 | Very low | 31.5 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -150.5 | 102.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 626 | S | 34.2 | Very low | 31.4 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -95.2 | 138.5 | -179.7 | -66 | 0 | 0 | 0 | 0 | 113.1 | | |
| 627 | K | 32.1 | Very low | 31.4 | Very low | 215 Ų | 215 | 146 Ų | 146 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | | | trans | -127.5 | 134.5 | 147 | -76.4 | -173.7 | 178.1 | 176.4 | 0 | 108.7 | | |
| 628 | C | 28.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -107.4 | 142.8 | -172 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 629 | S | 30.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -166.5 | 169.9 | 135.1 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 630 | A | 30.5 | Very low | 32.1 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -143.2 | 150.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 631 | L | 32.3 | Very low | 32.8 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | 71.2 | 149.5 | 173.6 | -49.8 | 169.1 | 0 | 0 | 0 | 112.9 | | |
| 632 | K | 33.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -166.3 | 146.7 | 20 | -150.6 | 177.3 | -174.7 | 178.6 | 0 | 109.7 | | |
| 633 | K | 31.9 | Very low | 33.6 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | trans | 63 | 164.5 | 161.8 | -81.1 | -172.4 | 174.3 | -163.9 | 0 | 115.9 | | |
| 634 | V | 28.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 131 Ų | 131 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | cis | -165.7 | 146.4 | -34.5 | 89.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 635 | H | 27.8 | Very low | 33.2 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | 65.5 | 155.2 | 170.1 | -66.8 | 18.3 | 0 | 0 | 0 | 118 | | |
| 636 | G | 29.8 | Very low | 33.4 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | 78.7 | 147.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 637 | G | 31.3 | Very low | 33.2 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | cis | 146.5 | 101.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 638 | D | 34.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | 64.3 | 158.4 | 151.4 | -48.7 | -42.1 | 0 | 0 | 0 | 122.1 | | |
| 639 | D | 36.2 | Very low | 33.8 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | trans | 71.8 | 133.8 | 154.6 | -58.8 | -23.7 | 0 | 0 | 0 | 125.2 | | |
| 640 | D | 38.7 | Very low | 34.1 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | | | trans | 45.6 | 148.2 | 143 | -76.7 | -24.8 | 0 | 0 | 0 | 122.7 | | |
| 641 | V | 41.6 | Very low | 34.1 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | | | cis | 144.1 | 133.5 | -11.6 | 144.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 642 | K | 38.6 | Very low | 34 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | 64.7 | 168.8 | 165.3 | -88.1 | 173 | 168.9 | 174.2 | 0 | 116.4 | | |
| 643 | D | 36.4 | Very low | 33.9 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 49% | 0.487 | 73% | 0.729 | S | S | . | * | | | cis | -151.9 | 165.6 | -0.4 | -135.7 | -26.9 | 0 | 0 | 0 | 111.8 | | |
| 644 | K | 42 | Very low | 33.9 | Very low | 168 Ų | 168 | 129 Ų | 129 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | | | trans | 60.8 | 133 | 151.5 | -72.4 | 148.9 | -169.2 | 146.6 | 0 | 119.1 | | |
| 645 | C | 29.6 | Very low | 33.9 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | | | | 72.1 | 131.2 | 57.6 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 646 | G | 32.1 | Very low | 34 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | | | cis | 166.8 | -146.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 647 | F | 31.4 | Very low | 34 | Very low | 196 Ų | 196 | 133 Ų | 133 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | | | trans | 72.1 | 140.8 | 176.4 | -53.6 | -80.3 | 0 | 0 | 0 | 116.2 | | |
| 648 | S | 34.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | cis | -162.8 | -154.6 | -7.6 | 45.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 649 | K | 37.9 | Very low | 33.4 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | | | cis | -170.7 | 134.2 | 14.6 | -144.4 | 167.1 | -171 | 172.7 | 0 | 111.8 | | |
| 650 | N | 36.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | | | trans | 64.8 | 156.9 | 159.2 | -57.2 | -0.1 | 0 | 0 | 0 | 117.8 | | |
| 651 | N | 29.7 | Very low | 32.5 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | | | cis | -159.1 | 165.5 | 2.1 | -136.9 | -10.4 | 0 | 0 | 0 | 113.3 | | |
| 652 | V | 30.6 | Very low | 31.8 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 79% | 0.788 | 69% | 0.69 | S | S | * | * | | | trans | 67.1 | 134.4 | 154.5 | 164.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 653 | S | 31 | Very low | 31 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | | | cis | -167.8 | 162 | -15.7 | -170 | 0 | 0 | 0 | 0 | 112.8 | | |
| 654 | Q | 32.7 | Very low | 30.5 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | | | trans | 71.2 | 145.5 | 165.6 | -58.7 | -150.2 | 66.6 | 0 | 0 | 120.3 | | |
| 655 | Q | 29.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | | | cis | -167.8 | 128.7 | -22.8 | 174.9 | 165.5 | -119.4 | 0 | 0 | 112.7 | | |
| 656 | R | 30.1 | Very low | 29.7 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | | | trans | 63.3 | 162.1 | 162.8 | -68.5 | 168 | -166.2 | -93.2 | 5.5 | 116 | | |
| 657 | Q | 28.5 | Very low | 29.6 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | | | cis | -167.1 | 162.8 | -17 | -110.1 | 177.3 | -109 | 0 | 0 | 106.6 | | |
| 658 | M | 27.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 64% | 0.635 | 70% | 0.703 | S | S | * | * | | | cis | -166.8 | 168.6 | -11.8 | -155 | 167.7 | 74.2 | 0 | 0 | 108.2 | | |
| 659 | D | 27.2 | Very low | 29.3 | Very low | 104 Ų | 104 | 134 Ų | 134 | 56% | 0.556 | 71% | 0.707 | S | S | * | * | | | trans | 63.3 | 168 | 160.8 | -78.3 | 1.5 | 0 | 0 | 0 | 117.5 | | |
| 660 | K | 29.7 | Very low | 29 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | | | cis | -157.6 | 162.4 | -35.7 | -110.7 | 178.2 | -172.5 | 82.8 | 0 | 109.2 | | |
| 661 | C | 25.7 | Very low | 28.5 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 68% | 0.676 | 71% | 0.71 | S | S | * | * | | | trans | 17 | 147.4 | 144 | -55.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 662 | K | 26.7 | Very low | 28.4 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 74% | 0.735 | 71% | 0.712 | S | S | * | * | | | trans | 76.7 | 138.5 | 141.8 | -76.2 | 175.6 | 173.6 | -80.6 | 0 | 116.8 | | |
| 663 | E | 21.7 | Very low | 28.2 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | | | cis | 85.8 | 131.9 | 44.2 | -176 | -168.3 | -131.5 | 0 | 0 | 112.3 | | |
| 664 | G | 26.2 | Very low | 28.2 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | | | trans | 116.2 | 136.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 665 | D | 29.6 | Very low | 28 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | | | cis | -160.9 | 163.4 | -14.4 | -128.8 | -29.4 | 0 | 0 | 0 | 113.3 | | |
| 666 | T | 26.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | trans | 26.4 | 133.8 | 159 | 54.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 667 | A | 30.1 | Very low | 27.8 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | cis | -147.6 | -105 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 668 | D | 28.2 | Very low | 27.8 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | cis | -153.7 | -164.6 | -2.4 | -144.2 | -52.7 | 0 | 0 | 0 | 111.4 | | |
| 669 | I | 30.9 | Very low | 27.7 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -127.4 | 142.3 | -151.2 | -68.8 | 173.7 | 0 | 0 | 0 | 114.2 | | |
| 670 | V | 30.4 | Very low | 27.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | | | trans | 67 | 147.5 | 165.1 | 161.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 671 | G | 27.1 | Very low | 27.8 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | cis | 145.5 | 148.5 | -9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 672 | G | 27.6 | Very low | 27.8 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | 68 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 673 | E | 27.1 | Very low | 28 | Very low | 150 Ų | 150 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -164 | 153.8 | -33.6 | -121.7 | -165.4 | 136.7 | 0 | 0 | 108.5 | | |
| 674 | R | 29.6 | Very low | 28.3 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | | | trans | 43.1 | 126 | 148.8 | -68.2 | -172.7 | -143.4 | -140.6 | 1.7 | 123 | | |
| 675 | Q | 30 | Very low | 29 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | | 79 | 146.9 | 123.4 | -66.2 | 172 | -23.8 | 0 | 0 | 122.4 | | |
| 676 | H | 24.9 | Very low | 29.1 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | 81 | 111.2 | 143.4 | -121.8 | -117.2 | 0 | 0 | 0 | 122.4 | | |
| 677 | A | 29.4 | Very low | 29.4 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | | | | 63 | 133.8 | 128 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 678 | Q | 29 | Very low | 29.6 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | trans | 42.9 | 115.8 | 135.5 | -60.4 | 177.6 | -3 | 0 | 0 | 119.7 | | |
| 679 | S | 25 | Very low | 29.6 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | | -162.5 | 172.3 | 112.3 | -157.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 680 | L | 29.3 | Very low | 29.6 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | -92.4 | 146.6 | 176.7 | -63.4 | 155.2 | 0 | 0 | 0 | 110.9 | | |
| 681 | Q | 28.4 | Very low | 30.2 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | | | | -162.4 | 150.6 | 123 | -115.7 | 173 | -3.7 | 0 | 0 | 113.9 | | |
| 682 | T | 26.6 | Very low | 30.9 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | -99.4 | 143.9 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 683 | V | 30.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | -170.6 | 143.4 | 143 | 138.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 684 | E | 28.8 | Very low | 32.6 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -109.8 | 148.2 | 165.4 | -145.7 | -149.4 | -93 | 0 | 0 | 108 | L686 | E684-L686 PolarHBondContact OE2-N 3.29Š|
| 685 | P | 41.1 | Very low | 33.3 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | | -149.3 | 144.4 | 95.3 | 37.4 | -20.4 | 0 | 0 | 0 | 116.8 | | |
| 686 | L | 30.2 | Very low | 34.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | | | | 27.8 | 153.4 | 129.4 | -151.2 | 57.4 | 0 | 0 | 0 | 123.3 | E684 | E684-L686 PolarHBondContact OE2-N 3.29Š|
| 687 | Y | 32.4 | Very low | 35.1 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 104.9 | 135.7 | 160 | -49.1 | -65.4 | 0 | 0 | 0 | 119.9 | | |
| 688 | R | 34.3 | Very low | 36.1 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | trans | -35.2 | 155.6 | 170.8 | -75.9 | 175 | 170.2 | -99.7 | 4.7 | 116.3 | D690 | R688-D690 IonicContact CZ-OD1 2.84Å; R688-D690 IonicContact CZ-OD2 3.98Å; R688-D690 IonicContact NH1-OD1 3.71Å; R688-D690 PolarHBondContact NH1-OD1 2.93Å; R688-D690 IonicContact NH1-OD2 2.82Å; R688-D690 PolarHBondContact NH1-OD2 3.29Å |
| 689 | T | 28.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | | -151.2 | 129.2 | 56.9 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 690 | D | 32.5 | Very low | 39.4 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 51% | 0.508 | 75% | 0.746 | S | S | . | * | | | | 84.5 | 129.3 | 77.2 | -60.1 | -43.8 | 0 | 0 | 0 | 113.4 | R688 | R688-D690 IonicContact CZ-OD1 2.84Å; R688-D690 IonicContact CZ-OD2 3.98Å; R688-D690 IonicContact NH1-OD1 3.71Å; R688-D690 PolarHBondContact NH1-OD1 2.93Å; R688-D690 IonicContact NH1-OD2 2.82Å; R688-D690 PolarHBondContact NH1-OD2 3.29Å |
| 691 | D | 41.1 | Very low | 41.5 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | 54.7 | 106 | 164.5 | -54.2 | -33.4 | 0 | 0 | 0 | 123.1 | | |
| 692 | E | 42.1 | Very low | 43.8 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | | | | -144.8 | 143.5 | 127.3 | -91 | -144.5 | 131.4 | 0 | 0 | 112.1 | | |
| 693 | S | 41.8 | Very low | 46.6 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | | | trans | 64.4 | 80.3 | 153.4 | -60.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 694 | S | 49.9 | Very low | 48.9 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | | | | 64.8 | 137.9 | 111.4 | 69.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 695 | S | 44 | Very low | 51.6 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | | | trans | 69.1 | 108.9 | 139.5 | 65.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 696 | V | 49.4 | Very low | 53.8 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 84% | 0.836 | 66% | 0.661 | S | S | * | * | | | trans | 54.5 | 72.8 | 135.2 | -161.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 697 | D | 43.7 | Very low | 56.5 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | | | trans | -149.1 | 128.1 | 140.1 | -99.4 | -35.8 | 0 | 0 | 0 | 108.9 | | |
| 698 | S | 49.1 | Very low | 59.3 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 7.4 | -167.8 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 699 | D | 58.1 | Low | 61.9 | Low | 134 Ų | 134 | 117.4 Ų | 117.4 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -14.6 | -173.2 | -87 | -22.3 | 0 | 0 | 0 | 114.4 | S701 I702 | D699-S701 PolarHBondContact O-N 3.3Å; D699-I702 WeakPolarHBondContact O-CG2 3.48Å; D699-I702 PolarHBondContact O-N 3.18Å |
| 700 | D | 65 | Low | 64.8 | Low | 80 Ų | 80 | 116.6 Ų | 116.6 | 43% | 0.428 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.6 | -13.2 | -171.2 | -152.7 | 29.8 | 0 | 0 | 0 | 113.7 | I702 E703 Q704 R707 | D700-I702 PolarHBondContact O-N 3.3Å; D700-E703 PolarHBondContact O-N 2.83Å; D700-Q704 WeakPolarHBondContact O-CB 3.42Å; D700-Q704 VanDerWaalsContact O-CG 3.28Å; D700-Q704 WeakPolarHBondContact O-CG 3.49Å; D700-Q704 PolarHBondContact O-N 2.94Å; D700-Q704 PolarHBondContact OD2-NE2 3.5Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.12Å; D700-R707 IonicContact OD1-NH2 2.76Å; D700-R707 PolarHBondContact OD1-NH2 3.01Å; D700-R707 IonicContact OD2-NH2 3.29Å |
| 701 | S | 73.6 | Confident | 67.3 | Low | 96 Ų | 96 | 114.4 Ų | 114.4 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.4 | -45.5 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | D699 Q704 E705 | D699-S701 PolarHBondContact O-N 3.3Å; S701-Q704 PolarHBondContact O-N 2.96Å; S701-E705 PolarHBondContact O-N 3.29Å |
| 702 | I | 77.6 | Confident | 68.9 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 56% | 0.564 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -35.7 | 180 | -163.5 | 65.3 | 0 | 0 | 0 | 111.4 | D699 D700 E705 I706 | D699-I702 WeakPolarHBondContact O-CG2 3.48Å; D699-I702 PolarHBondContact O-N 3.18Å; D700-I702 PolarHBondContact O-N 3.3Å; I702-E705 PolarHBondContact O-N 3.28Å; I702-I706 HydrophobicContact CG1-CD1 4.03Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CD1 3.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.37Å; I702-I706 PolarHBondContact O-N 3.12Å |
| 703 | E | 85.9 | Confident | 70.6 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.4 | -32.4 | 177.4 | -171.9 | 59.3 | -128.9 | 0 | 0 | 111.1 | D700 R707 | D700-E703 PolarHBondContact O-N 2.83Å; E703-R707 VanDerWaalsContact O-CB 3.32Å; E703-R707 WeakPolarHBondContact O-CB 3.18Å; E703-R707 VanDerWaalsContact O-CG 3.22Å; E703-R707 WeakPolarHBondContact O-CG 3.5Å; E703-R707 PolarHBondContact O-N 3.46Å; E703-R707 PolarHBondContact O-NE 2.82Å; E703-R707 IonicContact OE1-NE 2.66Å |
| 704 | Q | 78.2 | Confident | 72 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.2 | -41.9 | 171.8 | -71.5 | -178.7 | 44.2 | 0 | 0 | 112.4 | D700 S701 R707 R708 | D700-Q704 WeakPolarHBondContact O-CB 3.42Å; D700-Q704 VanDerWaalsContact O-CG 3.28Å; D700-Q704 WeakPolarHBondContact O-CG 3.49Å; D700-Q704 PolarHBondContact O-N 2.94Å; D700-Q704 PolarHBondContact OD2-NE2 3.5Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.12Å; S701-Q704 PolarHBondContact O-N 2.96Å; Q704-R707 PolarHBondContact O-N 3.44Å; Q704-R708 VanDerWaalsContact O-CB 3.25Å; Q704-R708 WeakPolarHBondContact O-CB 3.21Å; Q704-R708 PolarHBondContact O-N 2.97Å |
| 705 | E | 85.8 | Confident | 72.6 | Confident | 100 Ų | 100 | 110.5 Ų | 110.5 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -40.2 | 173.6 | -169.2 | 83.3 | -85.2 | 0 | 0 | 111.2 | S701 I702 R708 F709 | S701-E705 PolarHBondContact O-N 3.29Å; I702-E705 PolarHBondContact O-N 3.28Å; E705-R708 PolarHBondContact O-N 3.39Å; E705-R708 IonicContact OE1-CZ 3.17Å; E705-R708 IonicContact OE1-NH1 3.77Å; E705-R708 PolarHBondContact OE1-NH1 3.26Å; E705-F709 VanDerWaalsContact O-CB 3.29Å; E705-F709 WeakPolarHBondContact O-CB 3.39Å; E705-F709 PolarHBondContact O-N 2.93Å |
| 706 | I | 86.4 | Confident | 73.1 | Confident | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -47.5 | 174.1 | -72.4 | 165.8 | 0 | 0 | 0 | 110.9 | I702 R708 F709 L710 | I702-I706 HydrophobicContact CG1-CD1 4.03Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CD1 3.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.37Å; I702-I706 PolarHBondContact O-N 3.12Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.88Å; I706-F709 PolarHBondContact O-N 3.27Å; I706-L710 HydrophobicContact CG2-CD1 3.82Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 VanDerWaalsContact O-CG 3.26Å; I706-L710 WeakPolarHBondContact O-CG 3.48Å; I706-L710 PolarHBondContact O-N 2.94Å |
| 707 | R | 87.5 | Confident | 73.2 | Confident | 120 Ų | 120 | 109.1 Ų | 109.1 | 45% | 0.453 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.4 | -41.8 | 175.6 | -78.9 | 177 | -78.9 | 179.5 | -9.5 | 111.7 | D700 E703 Q704 A711 | D700-R707 IonicContact OD1-NH2 2.76Å; D700-R707 PolarHBondContact OD1-NH2 3.01Å; D700-R707 IonicContact OD2-NH2 3.29Å; E703-R707 VanDerWaalsContact O-CB 3.32Å; E703-R707 WeakPolarHBondContact O-CB 3.18Å; E703-R707 VanDerWaalsContact O-CG 3.22Å; E703-R707 WeakPolarHBondContact O-CG 3.5Å; E703-R707 PolarHBondContact O-N 3.46Å; E703-R707 PolarHBondContact O-NE 2.82Å; E703-R707 IonicContact OE1-NE 2.66Å; Q704-R707 PolarHBondContact O-N 3.44Å; R707-A711 WeakPolarHBondContact O-CB 3.17Å; R707-A711 PolarHBondContact O-N 3.18Å |
| 708 | R | 89.8 | Confident | 73.5 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.9 | -49.8 | 175.1 | 179.6 | -178.3 | 175.2 | -134.4 | 2.7 | 111.9 | Q704 E705 I706 L710 A711 E712 | Q704-R708 VanDerWaalsContact O-CB 3.25Å; Q704-R708 WeakPolarHBondContact O-CB 3.21Å; Q704-R708 PolarHBondContact O-N 2.97Å; E705-R708 PolarHBondContact O-N 3.39Å; E705-R708 IonicContact OE1-CZ 3.17Å; E705-R708 IonicContact OE1-NH1 3.77Å; E705-R708 PolarHBondContact OE1-NH1 3.26Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.88Å; R708-L710 VanDerWaalsContact C-N 3.35Å; R708-L710 PolarHBondContact O-N 3.04Å; R708-A711 PolarHBondContact O-N 3.14Å; R708-E712 WeakPolarHBondContact O-CB 3.24Å; R708-E712 PolarHBondContact O-N 3.38Å |
| 709 | F | 89.3 | Confident | 73.3 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -40.7 | 177.8 | -179.5 | -99.4 | 0 | 0 | 0 | 111.7 | E705 I706 E712 K713 | E705-F709 VanDerWaalsContact O-CB 3.29Å; E705-F709 WeakPolarHBondContact O-CB 3.39Å; E705-F709 PolarHBondContact O-N 2.93Å; I706-F709 PolarHBondContact O-N 3.27Å; F709-E712 PolarHBondContact O-N 2.93Å; F709-K713 HydrophobicContact CD1-CG 3.99Å; F709-K713 HydrophobicContact CD2-CG 4.43Å; F709-K713 HydrophobicContact CE1-CD 4.25Å; F709-K713 HydrophobicContact CE1-CG 3.69Å; F709-K713 HydrophobicContact CE2-CD 4.26Å; F709-K713 HydrophobicContact CE2-CG 4.17Å; F709-K713 HydrophobicContact CG-CG 4.36Å; F709-K713 HydrophobicContact CZ-CD 3.89Å; F709-K713 HydrophobicContact CZ-CG 3.79Å; F709-K713 VanDerWaalsContact O-CB 3.28Å; F709-K713 WeakPolarHBondContact O-CB 3.38Å; F709-K713 WeakPolarHBondContact O-CG 3.46Å; F709-K713 PolarHBondContact O-N 3.02Å |
| 710 | L | 90.8 | Very high | 72.7 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.9 | -42.1 | 174.8 | -71.8 | 171.4 | 0 | 0 | 0 | 112 | I706 R708 K713 A714 | I706-L710 HydrophobicContact CG2-CD1 3.82Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 VanDerWaalsContact O-CG 3.26Å; I706-L710 WeakPolarHBondContact O-CG 3.48Å; I706-L710 PolarHBondContact O-N 2.94Å; R708-L710 VanDerWaalsContact C-N 3.35Å; R708-L710 PolarHBondContact O-N 3.04Å; L710-K713 PolarHBondContact O-N 3.22Å; L710-A714 WeakPolarHBondContact O-CB 3.4Å; L710-A714 PolarHBondContact O-N 3.04Å |
| 711 | A | 84.1 | Confident | 71.7 | Confident | 50 Ų | 50 | 110.5 Ų | 110.5 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R707 R708 A714 K715 | R707-A711 WeakPolarHBondContact O-CB 3.17Å; R707-A711 PolarHBondContact O-N 3.18Å; R708-A711 PolarHBondContact O-N 3.14Å; A711-A714 PolarHBondContact O-N 3.46Å; A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 2.89Å |
| 712 | E | 74.8 | Confident | 69.8 | Low | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69 | -44.7 | 174.9 | -174.5 | 167.8 | -165.7 | 0 | 0 | 111.5 | R708 F709 A714 K715 V716 | R708-E712 WeakPolarHBondContact O-CB 3.24Å; R708-E712 PolarHBondContact O-N 3.38Å; F709-E712 PolarHBondContact O-N 2.93Å; E712-A714 VanDerWaalsContact C-N 3.28Å; E712-A714 PolarHBondContact O-N 2.8Å; E712-K715 PolarHBondContact O-N 2.79Å; E712-V716 WeakPolarHBondContact O-CB 3.14Å; E712-V716 VanDerWaalsContact O-CG2 3.31Å; E712-V716 WeakPolarHBondContact O-CG2 3.22Å; E712-V716 PolarHBondContact O-N 2.72Å |
| 713 | K | 77.6 | Confident | 67.7 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 54% | 0.535 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.3 | -34.6 | 173 | -71.9 | -66.6 | -62.9 | 177.9 | 0 | 112.4 | F709 L710 S717 | F709-K713 HydrophobicContact CD1-CG 3.99Å; F709-K713 HydrophobicContact CD2-CG 4.43Å; F709-K713 HydrophobicContact CE1-CD 4.25Å; F709-K713 HydrophobicContact CE1-CG 3.69Å; F709-K713 HydrophobicContact CE2-CD 4.26Å; F709-K713 HydrophobicContact CE2-CG 4.17Å; F709-K713 HydrophobicContact CG-CG 4.36Å; F709-K713 HydrophobicContact CZ-CD 3.89Å; F709-K713 HydrophobicContact CZ-CG 3.79Å; F709-K713 VanDerWaalsContact O-CB 3.28Å; F709-K713 WeakPolarHBondContact O-CB 3.38Å; F709-K713 WeakPolarHBondContact O-CG 3.46Å; F709-K713 PolarHBondContact O-N 3.02Å; L710-K713 PolarHBondContact O-N 3.22Å; K713-S717 WeakPolarHBondContact O-CB 3.38Å; K713-S717 PolarHBondContact O-N 2.77Å |
| 714 | A | 72.4 | Confident | 65.2 | Low | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -47.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L710 A711 E712 V716 S717 | L710-A714 WeakPolarHBondContact O-CB 3.4Å; L710-A714 PolarHBondContact O-N 3.04Å; A711-A714 PolarHBondContact O-N 3.46Å; E712-A714 VanDerWaalsContact C-N 3.28Å; E712-A714 PolarHBondContact O-N 2.8Å; A714-V716 VanDerWaalsContact C-N 3.32Å; A714-V716 PolarHBondContact O-N 3.44Å; A714-S717 WeakPolarHBondContact O-CB 3.46Å; A714-S717 PolarHBondContact O-N 3.28Å |
| 715 | K | 62.3 | Low | 63.1 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 73% | 0.726 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.9 | -39.1 | 176.2 | -77 | 175.5 | 175 | -179.9 | 0 | 112.9 | A711 E712 S717 | A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 2.89Å; E712-K715 PolarHBondContact O-N 2.79Å; K715-S717 PolarHBondContact O-N 2.89Å |
| 716 | V | 54.5 | Low | 60.6 | Low | 110 Ų | 110 | 113 Ų | 113 | 67% | 0.667 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -11.3 | 176 | 174 | 0 | 0 | 0 | 0 | 112.3 | E712 A714 | E712-V716 WeakPolarHBondContact O-CB 3.14Å; E712-V716 VanDerWaalsContact O-CG2 3.31Å; E712-V716 WeakPolarHBondContact O-CG2 3.22Å; E712-V716 PolarHBondContact O-N 2.72Å; A714-V716 VanDerWaalsContact C-N 3.32Å; A714-V716 PolarHBondContact O-N 3.44Å |
| 717 | S | 50.8 | Low | 58 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.1 | 178.9 | -165.1 | 0 | 0 | 0 | 0 | 114.8 | K713 A714 K715 | K713-S717 WeakPolarHBondContact O-CB 3.38Å; K713-S717 PolarHBondContact O-N 2.77Å; A714-S717 WeakPolarHBondContact O-CB 3.46Å; A714-S717 PolarHBondContact O-N 3.28Å; K715-S717 PolarHBondContact O-N 2.89Å |
| 718 | T | 50 | Low | 55.4 | Low | 121 Ų | 121 | 116.9 Ų | 116.9 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -126.5 | 83.4 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 719 | G | 45.1 | Very low | 52.6 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 81% | 0.814 | 69% | 0.686 | S | S | * | * | | | trans | -163.6 | 26.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 720 | D | 44.8 | Very low | 49.9 | Very low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -129 | 158.2 | 165.6 | -152.9 | 9 | 0 | 0 | 0 | 112.6 | | |
| 721 | K | 44.9 | Very low | 47.1 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | | | trans | -47 | 147.5 | -159.2 | -59.6 | 153.9 | -156.2 | 79.5 | 0 | 116.9 | | |
| 722 | G | 33.5 | Very low | 44.4 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | -136 | 149.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 723 | N | 34 | Very low | 43.2 | Very low | 168 Ų | 168 | 122 Ų | 122 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | | | trans | 94.3 | 108.5 | -161.3 | -57.5 | -14.1 | 0 | 0 | 0 | 111.1 | | |
| 724 | D | 32.6 | Very low | 40.9 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | cis | -151.8 | -173.8 | 2 | 51.5 | 46.1 | 0 | 0 | 0 | 109.1 | | |
| 725 | G | 33.2 | Very low | 38.8 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | cis | 116.9 | 115.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 726 | S | 33.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | cis | -166.4 | 175.5 | 2.2 | 60 | 0 | 0 | 0 | 0 | 110.7 | | |
| 727 | L | 32.4 | Very low | 36 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | trans | 67.3 | 160.3 | 175.9 | -84.2 | 63.4 | 0 | 0 | 0 | 115.2 | | |
| 728 | C | 33 | Very low | 35 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | cis | -139.8 | -164.6 | 6.4 | -148.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 729 | R | 30.5 | Very low | 34 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | | | trans | -127.6 | 160.5 | -160.2 | -178.2 | -160.7 | 166.6 | -153.3 | -3.1 | 112.7 | | |
| 730 | N | 33.3 | Very low | 33.3 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 101.8 | 150.2 | 161.1 | -51.3 | -50.5 | 0 | 0 | 0 | 117 | | |
| 731 | G | 31.3 | Very low | 32.5 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | | | trans | 121.4 | 124.2 | 155 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 732 | S | 27.7 | Very low | 32 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -159 | 159.3 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 733 | P | 49.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | cis | -123.7 | -148.9 | -8.9 | 20.7 | 5.2 | 0 | 0 | 0 | 111.5 | | |
| 734 | V | 28.9 | Very low | 32 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | trans | 108.1 | 98 | 147.5 | 176.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 735 | V | 29.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | | 81.8 | 123.3 | 128.3 | 168.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 736 | Q | 29.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | trans | 60.6 | 143.9 | 148.3 | -75.2 | 174.9 | -76.9 | 0 | 0 | 123.2 | | |
| 737 | E | 27.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | 30.9 | 146.7 | 132.5 | -61.8 | 155.3 | -141.2 | 0 | 0 | 120.5 | | |
| 738 | S | 31.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | cis | -175.4 | 171.2 | -10 | -97.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 739 | E | 28 | Very low | 32 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 64.7 | 119.9 | 163 | -66.6 | -174.2 | 130.8 | 0 | 0 | 120.5 | | |
| 740 | V | 30.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | | 39.9 | 119.7 | 125.8 | -171.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 741 | Q | 27.9 | Very low | 31.9 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | | 174.9 | 132 | 110.5 | -172.9 | 57.8 | 49.7 | 0 | 0 | 112.5 | | |
| 742 | F | 34.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -84.1 | 139.4 | 162 | -86.5 | -88.3 | 0 | 0 | 0 | 110 | | |
| 743 | P | 39.7 | Very low | 32.1 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | | -151.3 | 133.5 | 112.3 | 34.1 | -15.9 | 0 | 0 | 0 | 116.9 | | |
| 744 | L | 27.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 143 Ų | 143 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | | 42.5 | 131.9 | 120.5 | -160.4 | 70.7 | 0 | 0 | 0 | 121.9 | | |
| 745 | K | 29 | Very low | 31.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | 100.9 | 117.1 | 143.9 | -105.8 | 169.7 | 178.9 | 178.8 | 0 | 121.8 | | |
| 746 | D | 31.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | | | trans | 35 | 128.2 | 135.7 | -48.3 | -13.3 | 0 | 0 | 0 | 121 | | |
| 747 | F | 29.7 | Very low | 31.5 | Very low | 208 Ų | 208 | 144.5 Ų | 144.5 | 91% | 0.912 | 75% | 0.754 | S | S | * | * | | | | -175.7 | 158.2 | 106.6 | -99.2 | -68.8 | 0 | 0 | 0 | 112.6 | | |
| 748 | K | 35.3 | Very low | 32.2 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | trans | -98.1 | 151.6 | 166.1 | -63.5 | -179 | 178.9 | -178.5 | 0 | 109.7 | | |
| 749 | P | 40.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | | -134.2 | 161.4 | 104.3 | 9.7 | 13.4 | 0 | 0 | 0 | 111.2 | | |
| 750 | E | 28.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | cis | 112.3 | 117.7 | 31.7 | -169.2 | -169.2 | 163.6 | 0 | 0 | 111.2 | Q752 | E750-Q752 PolarHBondContact OE1-NE2 2.92Š|
| 751 | T | 32.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | 175.9 | 111.9 | 144 | 21.3 | 0 | 0 | 0 | 0 | 105.4 | | |
| 752 | Q | 33 | Very low | 32.7 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | | | | 60.5 | 128.4 | 73.5 | -58.3 | -160.6 | 49.9 | 0 | 0 | 111.4 | E750 | E750-Q752 PolarHBondContact OE1-NE2 2.92Š|
| 753 | L | 31.3 | Very low | 32.3 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | | | cis | -147.8 | 160.4 | 39.3 | -72.6 | 161.6 | 0 | 0 | 0 | 114.8 | | |
| 754 | A | 33.3 | Very low | 31.9 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | trans | 64 | 149.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 755 | E | 28.4 | Very low | 32 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | cis | -155.1 | 143.9 | -6.2 | -128.9 | 176.1 | 117.8 | 0 | 0 | 111.8 | | |
| 756 | I | 31.8 | Very low | 32 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | 51.9 | 143.9 | 148.9 | -73.8 | 169 | 0 | 0 | 0 | 120.8 | | |
| 757 | S | 30.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | cis | -170.1 | -165.8 | -25.1 | -142.2 | 0 | 0 | 0 | 0 | 109 | | |
| 758 | P | 41.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | | | | -143 | 173.7 | -120.6 | 44.3 | -23 | 0 | 0 | 0 | 120.2 | | |
| 759 | K | 35.7 | Very low | 32.4 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | | | trans | 64.7 | 168.3 | 151.3 | -71 | 162.4 | -177.5 | 176.4 | 0 | 116.6 | | |
| 760 | H | 30.3 | Very low | 31.9 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | cis | -152 | -168.1 | 14.4 | -143.2 | -176.8 | 0 | 0 | 0 | 109.2 | | |
| 761 | I | 31.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | | | cis | -157.6 | -168.6 | 6.2 | -158.2 | 160.9 | 0 | 0 | 0 | 110.4 | | |
| 762 | S | 30.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -66.4 | -179 | 174.2 | -40.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 763 | G | 27.1 | Very low | 31.5 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | cis | -175.4 | 162.6 | 6.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 764 | V | 31 | Very low | 31.3 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 87% | 0.873 | 73% | 0.73 | S | S | * | * | | | | 98.1 | 141.5 | 86.3 | 163.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 765 | S | 29 | Very low | 30.9 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | 76.8 | 140.3 | 168 | -161.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 766 | A | 29.3 | Very low | 31.1 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | | | cis | -159.9 | 177.5 | -15 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 767 | S | 29.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | -91.9 | -170.8 | 168.8 | -135.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 768 | P | 46.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | cis | -152.5 | 178.2 | 35.1 | 45.6 | -24.4 | 0 | 0 | 0 | 119.9 | | |
| 769 | V | 27.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | | | trans | 66.1 | 144.4 | 150.5 | 164.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 770 | G | 30.1 | Very low | 30.8 | Very low | 58 Ų | 58 | 131.5 Ų | 131.5 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | | | cis | -151.3 | 163.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 771 | T | 29.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 129 Ų | 129 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | | 72.3 | 122.1 | 61.6 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 772 | Q | 28.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | | | cis | -168.7 | 168.3 | -7.3 | -115.5 | -167 | 100.3 | 0 | 0 | 109.5 | | |
| 773 | Q | 28.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 62% | 0.621 | 76% | 0.756 | S | S | * | * | | | trans | 49 | 161.7 | 144.9 | -72.3 | -162.9 | 41.6 | 0 | 0 | 121.3 | | |
| 774 | R | 26.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | cis | 177.5 | 174.5 | -19.5 | -178.4 | 175.9 | 174.8 | -165 | 0.2 | 107.4 | | |
| 775 | F | 26.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | trans | 84.4 | 124.5 | 161.5 | -61.4 | -68.1 | 0 | 0 | 0 | 121.1 | | |
| 776 | Y | 31.7 | Very low | 32 | Very low | 222 Ų | 222 | 129.2 Ų | 129.2 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | | | trans | -77.3 | 174.5 | 145.1 | -83 | -92.8 | 0 | 0 | 0 | 109.5 | | |
| 777 | P | 46.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | cis | -144.9 | 177.7 | 21.9 | 45.7 | -26.4 | 0 | 0 | 0 | 118.5 | | |
| 778 | E | 28.3 | Very low | 32.2 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 42.9 | 116.9 | 133.4 | -174.9 | 175.5 | -134.8 | 0 | 0 | 122.5 | | |
| 779 | I | 28.1 | Very low | 31.3 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | | | trans | -150.6 | 175.8 | 130.1 | -14.5 | 171.5 | 0 | 0 | 0 | 111.9 | | |
| 780 | S | 29.6 | Very low | 31.5 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | -102.1 | 157 | -154.2 | 176.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 781 | S | 32.7 | Very low | 31.5 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | 57.2 | 130.2 | 142 | 59.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 782 | A | 29.1 | Very low | 31.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | | | trans | -157.2 | 157.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 783 | S | 31 | Very low | 31.6 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -138.5 | 164.6 | 170 | -148 | 0 | 0 | 0 | 0 | 107.6 | | |
| 784 | P | 46.4 | Very low | 31.5 | Very low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | | -157.4 | 159.8 | 70 | 42.3 | -21.5 | 0 | 0 | 0 | 119 | | |
| 785 | Q | 33.2 | Very low | 32 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 52.8 | 167.2 | 134.9 | -69.5 | -178.5 | -103.9 | 0 | 0 | 124.4 | | |
| 786 | S | 32.7 | Very low | 33.2 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 54% | 0.538 | 79% | 0.789 | S | S | . | * | | | cis | 179.9 | 144.4 | -41.7 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 787 | R | 32.9 | Very low | 33.1 | Very low | 248 Ų | 248 | 129 Ų | 129 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | | | trans | 65.4 | 167.7 | 156.2 | -66.3 | 175.8 | 173.4 | -177.7 | -2.3 | 117.2 | | |
| 788 | A | 28.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | cis | -136.9 | -160.1 | 0.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 789 | S | 29.5 | Very low | 32.8 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | cis | -165.5 | 152.4 | -5.9 | 33.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 790 | S | 31 | Very low | 32.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | cis | 96.6 | 81.9 | 18.1 | -172 | 0 | 0 | 0 | 0 | 116.4 | | |
| 791 | V | 29.9 | Very low | 33.6 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -142.3 | 159.9 | 165.8 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 792 | Q | 32.8 | Very low | 33.7 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -117.1 | 162.7 | -172.4 | -57 | 169.3 | -82.1 | 0 | 0 | 114.5 | | |
| 793 | S | 28.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | 86.2 | 151.6 | 139.3 | 76.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 794 | C | 27 | Very low | 33.9 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | 80.2 | 141.3 | 158.4 | -63.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 795 | S | 36 | Very low | 33.3 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -109.6 | -164.5 | 165.7 | -37.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 796 | P | 52.7 | Low | 33.2 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | cis | -135.4 | 169.2 | -16.4 | 40.9 | -25 | 0 | 0 | 0 | 115.2 | | |
| 797 | S | 29.1 | Very low | 33.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -178.8 | 144.6 | 149.7 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 798 | L | 33.6 | Very low | 33.7 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | cis | 96.8 | 94.6 | 21.1 | -161.8 | 170.3 | 0 | 0 | 0 | 114.1 | | |
| 799 | L | 34.5 | Very low | 34 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | | | trans | -172.5 | 144.4 | 140.7 | -105.5 | 167.1 | 0 | 0 | 0 | 112.8 | | |
| 800 | E | 27.2 | Very low | 34 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -98.3 | 174.1 | 168.6 | -117.1 | -175.1 | 125.4 | 0 | 0 | 109.4 | | |
| 801 | P | 47.6 | Very low | 34 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | cis | -124.7 | -153.1 | 35.5 | 29.9 | -4 | 0 | 0 | 0 | 111.8 | | |
| 802 | A | 34 | Very low | 34.5 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | cis | -160.6 | -168.9 | 18.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 803 | D | 34.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -62.7 | 155.5 | -174.1 | -57.4 | -61.4 | 0 | 0 | 0 | 116.9 | | |
| 804 | G | 30.7 | Very low | 34.2 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | cis | 171.5 | 168 | -4.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 805 | A | 34.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 96% | 0.959 | 80% | 0.796 | S | S | * | * | | | trans | 57.6 | 128.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 806 | G | 30.9 | Very low | 34.8 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | cis | -166.7 | 135.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 807 | A | 37.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | 72.5 | 125.2 | 81 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 808 | T | 37.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | | | cis | -141.6 | 136.4 | 24.8 | 44.5 | 0 | 0 | 0 | 0 | 111 | | |
| 809 | K | 34.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | | 65.5 | 133 | 78.4 | -83.1 | -179.2 | -179.1 | 176.4 | 0 | 114.1 | | |
| 810 | N | 30.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | cis | -136.6 | 160.2 | 20.3 | -75.7 | -54.7 | 0 | 0 | 0 | 114.8 | | |
| 811 | Q | 29.1 | Very low | 33.2 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -134.1 | 158.5 | 160 | -112.7 | -121.7 | 43.7 | 0 | 0 | 109.5 | | |
| 812 | Q | 40.4 | Very low | 32.3 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 60.1 | 145.7 | 161.6 | -89.3 | 168.7 | 5.6 | 0 | 0 | 121.8 | | |
| 813 | R | 26 | Very low | 32.3 | Very low | 249 Ų | 249 | 140.7 Ų | 140.7 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | trans | -137.9 | 134.4 | 140.7 | -133.9 | -167.4 | -168.1 | -156.4 | 3.9 | 112.1 | | |
| 814 | R | 28.9 | Very low | 32.1 | Very low | 220 Ų | 220 | 139.8 Ų | 139.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -95.8 | -171 | 162.7 | -114.9 | 179.4 | -176.3 | 164.7 | 0.4 | 107.6 | | |
| 815 | P | 48.9 | Very low | 32.2 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | | | cis | -137.2 | -158.4 | -25.5 | 32.3 | -9.3 | 0 | 0 | 0 | 112.2 | | |
| 816 | N | 28 | Very low | 32.2 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | 74.2 | 157.4 | 152.5 | -64.4 | -3.1 | 0 | 0 | 0 | 119.1 | | |
| 817 | T | 29.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | cis | -175.4 | 153.6 | -38.6 | 38 | 0 | 0 | 0 | 0 | 107.5 | | |
| 818 | A | 28.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 167.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 819 | R | 27.8 | Very low | 32 | Very low | 208 Ų | 208 | 148 Ų | 148 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | cis | -178.9 | 136 | -39.9 | 172.8 | 172.7 | 171 | 179.5 | -3.8 | 107.8 | | |
| 820 | D | 29.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | 51.2 | 132.8 | 165.4 | -56.6 | -12.4 | 0 | 0 | 0 | 120.3 | | |
| 821 | G | 28.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 151.2 Ų | 151.2 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 141.5 | 79.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 822 | L | 28.5 | Very low | 31.9 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | 64.8 | 148.4 | 156.3 | -116 | 48.4 | 0 | 0 | 0 | 116.6 | | |
| 823 | I | 32.6 | Very low | 31.7 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | cis | -134.1 | 151.6 | 31.3 | -46.7 | 177 | 0 | 0 | 0 | 112 | | |
| 824 | N | 32.4 | Very low | 32.3 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -70.6 | 163.7 | 172.3 | -49.8 | -52.2 | 0 | 0 | 0 | 111.9 | | |
| 825 | G | 31 | Very low | 32.7 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | cis | -162.9 | -162.2 | 1.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 826 | S | 34.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | cis | -150.8 | 141 | 13 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 827 | Q | 35.8 | Very low | 32.9 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | 46.6 | 120.5 | 144.5 | -58.9 | -174.4 | 8.3 | 0 | 0 | 121.8 | | |
| 828 | Q | 33.3 | Very low | 33.9 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -19.1 | 155.6 | 137.1 | -75.8 | 176.8 | -24.2 | 0 | 0 | 117.3 | | |
| 829 | A | 31.7 | Very low | 35.1 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | cis | -167.4 | 169 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 830 | D | 30.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | | | trans | -139 | 155.2 | 151.7 | -161.1 | 2.2 | 0 | 0 | 0 | 110.3 | | |
| 831 | R | 32.8 | Very low | 37.6 | Very low | 237 Ų | 237 | 127.2 Ų | 127.2 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | | | trans | -107.4 | 125.4 | -170 | -84 | -175.2 | 170.3 | -171 | -2 | 113.5 | | |
| 832 | G | 29.7 | Very low | 39.3 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | | 69.2 | 60.5 | 115 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 833 | R | 37 | Very low | 41.1 | Very low | 238 Ų | 238 | 126.1 Ų | 126.1 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.9 | 154.2 | -178.7 | 179.1 | -100.6 | -92.2 | 3.1 | 108.6 | | |
| 834 | P | 38.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.1 | -179.4 | 26.5 | -34.4 | 0 | 0 | 0 | 111.4 | S836 | P834-S836 PolarHBondContact O-N 3.43Š|
| 835 | A | 37.2 | Very low | 45 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S837 | A835-S837 PolarHBondContact O-N 2.95Š|
| 836 | S | 39.6 | Very low | 47.2 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.1 | 175.8 | 52 | 0 | 0 | 0 | 0 | 110.7 | P834 | P834-S836 PolarHBondContact O-N 3.43Š|
| 837 | S | 42.3 | Very low | 49 | Very low | 64 Ų | 64 | 113.6 Ų | 113.6 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 136 | -177.4 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | A835 N839 Y840 | A835-S837 PolarHBondContact O-N 2.95Å; S837-N839 PolarHBondContact O-N 2.91Å; S837-Y840 PolarHBondContact O-N 3.44Å |
| 838 | P | 50.8 | Low | 51.3 | Low | 104 Ų | 104 | 106.5 Ų | 106.5 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -51.7 | -30.3 | 178.9 | -28.7 | 35.5 | 0 | 0 | 0 | 114.1 | Y840 A841 R842 | P838-Y840 PolarHBondContact O-N 3.35Å; P838-A841 PolarHBondContact O-N 2.92Å; P838-R842 PolarHBondContact O-N 3.21Å; P838-R842 VanDerWaalsContact O-N 3.14Å |
| 839 | N | 51.7 | Low | 53.7 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.8 | -30.7 | 179.2 | -61.9 | -15.4 | 0 | 0 | 0 | 112.8 | S837 S843 | S837-N839 PolarHBondContact O-N 2.91Å; N839-S843 VanDerWaalsContact O-CB 3.27Å; N839-S843 WeakPolarHBondContact O-CB 3.24Å; N839-S843 PolarHBondContact O-N 3.44Å |
| 840 | Y | 52.2 | Low | 55.8 | Low | 137 Ų | 137 | 108.2 Ų | 108.2 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.4 | -41.4 | 178.6 | -172.9 | -98.5 | 0 | 0 | 0 | 112 | S837 P838 R842 L844 | S837-Y840 PolarHBondContact O-N 3.44Å; P838-Y840 PolarHBondContact O-N 3.35Å; Y840-R842 VanDerWaalsContact C-N 3.35Å; Y840-L844 WeakPolarHBondContact O-CB 3.39Å; Y840-L844 PolarHBondContact O-N 3.46Å |
| 841 | A | 58.7 | Low | 58.3 | Low | 64 Ų | 64 | 105.4 Ų | 105.4 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P838 A845 | P838-A841 PolarHBondContact O-N 2.92Å; A841-A845 WeakPolarHBondContact O-CB 3.41Å; A841-A845 PolarHBondContact O-N 2.87Å |
| 842 | R | 64.4 | Low | 60.4 | Low | 144 Ų | 144 | 99.4 Ų | 99.4 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 176.3 | -172.1 | 164.1 | -173.9 | 154.5 | 2.2 | 111.8 | P838 Y840 L844 A845 E846 | P838-R842 PolarHBondContact O-N 3.21Å; P838-R842 VanDerWaalsContact O-N 3.14Å; Y840-R842 VanDerWaalsContact C-N 3.35Å; R842-L844 VanDerWaalsContact C-N 3.33Å; R842-L844 PolarHBondContact O-N 2.95Å; R842-A845 PolarHBondContact O-N 3.44Å; R842-E846 WeakPolarHBondContact CG-OE1 3.38Å; R842-E846 IonicContact NE-OE1 2.95Å; R842-E846 PolarHBondContact NE-OE1 3.08Å; R842-E846 WeakPolarHBondContact O-CG 3.21Å; R842-E846 PolarHBondContact O-N 2.85Å |
| 843 | S | 66.6 | Low | 62.5 | Low | 63 Ų | 63 | 100 Ų | 100 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | N839 S847 | N839-S843 VanDerWaalsContact O-CB 3.27Å; N839-S843 WeakPolarHBondContact O-CB 3.24Å; N839-S843 PolarHBondContact O-N 3.44Å; S843-S847 WeakPolarHBondContact O-CB 3.01Å; S843-S847 PolarHBondContact O-N 2.98Å |
| 844 | L | 73.2 | Confident | 64.3 | Low | 49 Ų | 49 | 94 Ų | 94 | 26% | 0.257 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 173.5 | -177.2 | 63.4 | 0 | 0 | 0 | 111.1 | Y840 R842 E846 S847 I848 | Y840-L844 WeakPolarHBondContact O-CB 3.39Å; Y840-L844 PolarHBondContact O-N 3.46Å; R842-L844 VanDerWaalsContact C-N 3.33Å; R842-L844 PolarHBondContact O-N 2.95Å; L844-E846 VanDerWaalsContact C-N 3.35Å; L844-E846 PolarHBondContact O-N 2.91Å; L844-S847 PolarHBondContact O-N 2.6Å; L844-S847 PolarHBondContact O-OG 2.92Å; L844-I848 HydrophobicContact CD1-CD1 4.37Å; L844-I848 HydrophobicContact CG-CD1 4.1Å; L844-I848 VanDerWaalsContact O-CG1 3.31Å; L844-I848 WeakPolarHBondContact O-CG1 3.4Å; L844-I848 PolarHBondContact O-N 3.2Å |
| 845 | A | 74.1 | Confident | 65.8 | Low | 50 Ų | 50 | 91.7 Ų | 91.7 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A841 R842 I848 K849 | A841-A845 WeakPolarHBondContact O-CB 3.41Å; A841-A845 PolarHBondContact O-N 2.87Å; R842-A845 PolarHBondContact O-N 3.44Å; A845-I848 PolarHBondContact O-N 2.99Å; A845-K849 WeakPolarHBondContact O-CG 3.18Å; A845-K849 PolarHBondContact O-N 2.82Å |
| 846 | E | 75.6 | Confident | 67.8 | Low | 84 Ų | 84 | 90.9 Ų | 90.9 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.1 | -72.8 | 155.8 | -174.5 | 0 | 0 | 111.2 | R842 L844 I848 K849 W850 | R842-E846 WeakPolarHBondContact CG-OE1 3.38Å; R842-E846 IonicContact NE-OE1 2.95Å; R842-E846 PolarHBondContact NE-OE1 3.08Å; R842-E846 WeakPolarHBondContact O-CG 3.21Å; R842-E846 PolarHBondContact O-N 2.85Å; L844-E846 VanDerWaalsContact C-N 3.35Å; L844-E846 PolarHBondContact O-N 2.91Å; E846-I848 PolarHBondContact O-N 3.42Å; E846-K849 PolarHBondContact O-N 3.5Å; E846-W850 PolarHBondContact O-N 2.9Å |
| 847 | S | 74.3 | Confident | 69.4 | Low | 43 Ų | 43 | 91.2 Ų | 91.2 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -26.9 | 176 | 82.3 | 0 | 0 | 0 | 0 | 113.7 | S843 L844 R851 | S843-S847 WeakPolarHBondContact O-CB 3.01Å; S843-S847 PolarHBondContact O-N 2.98Å; L844-S847 PolarHBondContact O-N 2.6Å; L844-S847 PolarHBondContact O-OG 2.92Å; S847-R851 WeakPolarHBondContact O-CD 3.38Å; S847-R851 VanDerWaalsContact O-CG 3.25Å; S847-R851 WeakPolarHBondContact O-CG 3.31Å; S847-R851 PolarHBondContact O-N 3.1Å |
| 848 | I | 82.8 | Confident | 71.2 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 20% | 0.2 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -75.5 | -44.9 | 174.7 | -70 | 169.4 | 0 | 0 | 0 | 110 | L844 A845 E846 W850 R851 Q852 I858 | L844-I848 HydrophobicContact CD1-CD1 4.37Å; L844-I848 HydrophobicContact CG-CD1 4.1Å; L844-I848 VanDerWaalsContact O-CG1 3.31Å; L844-I848 WeakPolarHBondContact O-CG1 3.4Å; L844-I848 PolarHBondContact O-N 3.2Å; A845-I848 PolarHBondContact O-N 2.99Å; E846-I848 PolarHBondContact O-N 3.42Å; I848-W850 PolarHBondContact O-N 3.13Å; I848-R851 PolarHBondContact O-N 2.9Å; I848-R851 VanDerWaalsContact O-N 3.1Å; I848-Q852 HydrophobicContact CG2-CG 4.47Å; I848-Q852 WeakPolarHBondContact O-CG 3Å; I848-Q852 PolarHBondContact O-N 3.44Å; I848-I858 HydrophobicContact CD1-CG2 4.32Å; I848-I858 HydrophobicContact CG1-CG2 4.09Å; I848-I858 HydrophobicContact CG2-CD1 4.32Å; I848-I858 HydrophobicContact CG2-CG1 4.35Å; I848-I858 HydrophobicContact CG2-CG2 3.89Å |
| 849 | K | 84.6 | Confident | 72 | Confident | 145 Ų | 145 | 90 Ų | 90 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.5 | -46.9 | 173.1 | -71.2 | 178.8 | 176.8 | -173.8 | 0 | 111.7 | A845 E846 R851 Q852 S853 | A845-K849 WeakPolarHBondContact O-CG 3.18Å; A845-K849 PolarHBondContact O-N 2.82Å; E846-K849 PolarHBondContact O-N 3.5Å; K849-R851 PolarHBondContact O-N 3.23Å; K849-Q852 WeakPolarHBondContact O-CB 2.86Å; K849-Q852 PolarHBondContact O-N 2.9Å; K849-S853 PolarHBondContact O-N 2.81Å; K849-S853 PolarHBondContact O-OG 3.28Å |
| 850 | W | 75.8 | Confident | 72.3 | Confident | 167 Ų | 167 | 89.7 Ų | 89.7 | 63% | 0.633 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -25.7 | 175.5 | -88.7 | 100.4 | 0 | 0 | 0 | 114.1 | E846 I848 S853 L854 | E846-W850 PolarHBondContact O-N 2.9Å; I848-W850 PolarHBondContact O-N 3.13Å; W850-S853 PolarHBondContact O-OG 2.8Å; W850-L854 WeakPolarHBondContact O-CD1 3.38Å; W850-L854 VanDerWaalsContact O-CG 3.31Å; W850-L854 WeakPolarHBondContact O-CG 3.28Å |
| 851 | R | 83.3 | Confident | 72.5 | Confident | 104 Ų | 104 | 87.8 Ų | 87.8 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -81.7 | -38.7 | 173.2 | -75.6 | 172 | -176.7 | -73.8 | -8.5 | 111.7 | S847 I848 K849 L854 G855 L856 | S847-R851 WeakPolarHBondContact O-CD 3.38Å; S847-R851 VanDerWaalsContact O-CG 3.25Å; S847-R851 WeakPolarHBondContact O-CG 3.31Å; S847-R851 PolarHBondContact O-N 3.1Å; I848-R851 PolarHBondContact O-N 2.9Å; I848-R851 VanDerWaalsContact O-N 3.1Å; K849-R851 PolarHBondContact O-N 3.23Å; R851-L854 CarbonylContact O-C 3.44Å; R851-L854 PolarHBondContact O-N 2.98Å; R851-G855 PolarHBondContact O-N 3.43Å; R851-L856 HydrophobicContact CB-CB 4.12Å; R851-L856 HydrophobicContact CG-CB 4.27Å; R851-L856 PolarHBondContact O-N 3.12Å |
| 852 | Q | 77.2 | Confident | 72.3 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.1 | -73.1 | 169.8 | -31.9 | 0 | 0 | 112 | I848 K849 L854 G855 I858 | I848-Q852 HydrophobicContact CG2-CG 4.47Å; I848-Q852 WeakPolarHBondContact O-CG 3Å; I848-Q852 PolarHBondContact O-N 3.44Å; K849-Q852 WeakPolarHBondContact O-CB 2.86Å; K849-Q852 PolarHBondContact O-N 2.9Å; Q852-L854 PolarHBondContact O-N 3.25Å; Q852-G855 PolarHBondContact O-N 3.2Å; Q852-G855 VanDerWaalsContact O-N 3.16Å; Q852-I858 HydrophobicContact CG-CD1 3.8Å; Q852-I858 HydrophobicContact CG-CG1 4.11Å |
| 853 | S | 73.3 | Confident | 71.4 | Confident | 89 Ų | 89 | 91.1 Ų | 91.1 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.4 | 177.7 | 58.1 | 0 | 0 | 0 | 0 | 114 | K849 W850 | K849-S853 PolarHBondContact O-N 2.81Å; K849-S853 PolarHBondContact O-OG 3.28Å; W850-S853 PolarHBondContact O-OG 2.8Å |
| 854 | L | 73.8 | Confident | 70.4 | Confident | 112 Ų | 112 | 93 Ų | 93 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 8 | 176.5 | -63.4 | 176.4 | 0 | 0 | 0 | 113.5 | W850 R851 Q852 L856 | W850-L854 WeakPolarHBondContact O-CD1 3.38Å; W850-L854 VanDerWaalsContact O-CG 3.31Å; W850-L854 WeakPolarHBondContact O-CG 3.28Å; R851-L854 CarbonylContact O-C 3.44Å; R851-L854 PolarHBondContact O-N 2.98Å; Q852-L854 PolarHBondContact O-N 3.25Å; L854-L856 HydrophobicContact CB-CD1 4.05Å; L854-L856 HydrophobicContact CB-CG 3.94Å; L854-L856 HydrophobicContact CD1-CD1 4.34Å; L854-L856 PolarHBondContact O-N 3.07Å; L854-L856 VanDerWaalsContact O-N 3.15Å |
| 855 | G | 71.1 | Confident | 68.9 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 72% | 0.722 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 14.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R851 Q852 | R851-G855 PolarHBondContact O-N 3.43Å; Q852-G855 PolarHBondContact O-N 3.2Å; Q852-G855 VanDerWaalsContact O-N 3.16Å |
| 856 | L | 79.2 | Confident | 67.1 | Low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 145.4 | -175.6 | -63.2 | 178.7 | 0 | 0 | 0 | 111.6 | R851 L854 I858 | R851-L856 HydrophobicContact CB-CB 4.12Å; R851-L856 HydrophobicContact CG-CB 4.27Å; R851-L856 PolarHBondContact O-N 3.12Å; L854-L856 HydrophobicContact CB-CD1 4.05Å; L854-L856 HydrophobicContact CB-CG 3.94Å; L854-L856 HydrophobicContact CD1-CD1 4.34Å; L854-L856 PolarHBondContact O-N 3.07Å; L854-L856 VanDerWaalsContact O-N 3.15Å; L856-I858 PolarHBondContact O-N 2.84Å |
| 857 | P | 72.1 | Confident | 65.4 | Low | 107 Ų | 107 | 108 Ų | 108 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.3 | -179.8 | 24.2 | -33.8 | 0 | 0 | 0 | 112.2 | | |
| 858 | I | 80.4 | Confident | 63.9 | Low | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 131.1 | 178.5 | -57.9 | 171.8 | 0 | 0 | 0 | 109.3 | I848 Q852 L856 | I848-I858 HydrophobicContact CD1-CG2 4.32Å; I848-I858 HydrophobicContact CG1-CG2 4.09Å; I848-I858 HydrophobicContact CG2-CD1 4.32Å; I848-I858 HydrophobicContact CG2-CG1 4.35Å; I848-I858 HydrophobicContact CG2-CG2 3.89Å; Q852-I858 HydrophobicContact CG-CD1 3.8Å; Q852-I858 HydrophobicContact CG-CG1 4.11Å; L856-I858 PolarHBondContact O-N 2.84Å |
| 859 | P | 67.6 | Low | 61.5 | Low | 54 Ų | 54 | 117.5 Ų | 117.5 | 35% | 0.351 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 133.1 | 173.5 | -19.5 | 32.4 | 0 | 0 | 0 | 112 | P861 | P859-P861 WeakPolarHBondContact O-CD 3.34Š|
| 860 | D | 57.9 | Low | 58.8 | Low | 82 Ų | 82 | 119 Ų | 119 | 44% | 0.439 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 121.7 | 170.2 | 179.1 | -4.6 | 0 | 0 | 0 | 109.5 | R862 A863 | D860-R862 PolarHBondContact O-N 3.19Å; D860-R862 WeakPolarHBondContact OD1-CB 3.28Å; D860-R862 PolarHBondContact OD1-N 2.77Å; D860-R862 IonicContact OD1-NE 3.97Å; D860-A863 HydrophobicContact CB-CB 4.37Å; D860-A863 WeakPolarHBondContact O-CB 3.45Å; D860-A863 PolarHBondContact O-N 2.82Å |
| 861 | P | 57.1 | Low | 56.5 | Low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -15.7 | 178.3 | 24.5 | -34.7 | 0 | 0 | 0 | 114 | P859 | P859-P861 WeakPolarHBondContact O-CD 3.34Š|
| 862 | R | 54.4 | Low | 53.9 | Low | 209 Ų | 209 | 119.3 Ų | 119.3 | 79% | 0.789 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -9.3 | 172 | -78.8 | 176 | -76.4 | -149.3 | -7.8 | 114.7 | D860 | D860-R862 PolarHBondContact O-N 3.19Å; D860-R862 WeakPolarHBondContact OD1-CB 3.28Å; D860-R862 PolarHBondContact OD1-N 2.77Å; D860-R862 IonicContact OD1-NE 3.97Å |
| 863 | A | 44.7 | Very low | 51.5 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 56% | 0.562 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -80.9 | -15.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D860 N865 | D860-A863 HydrophobicContact CB-CB 4.37Å; D860-A863 WeakPolarHBondContact O-CB 3.45Å; D860-A863 PolarHBondContact O-N 2.82Å; A863-N865 PolarHBondContact O-N 2.7Å |
| 864 | L | 45.7 | Very low | 49.3 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 53% | 0.534 | 68% | 0.676 | S | S | . | * | | | trans | -77.5 | 22.7 | -170.5 | -76.7 | 166.7 | 0 | 0 | 0 | 115.8 | | |
| 865 | N | 42.3 | Very low | 47.1 | Very low | 159 Ų | 159 | 121.1 Ų | 121.1 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | | | trans | -110.3 | 43.7 | 173.1 | -75.4 | -57 | 0 | 0 | 0 | 112.2 | A863 | A863-N865 PolarHBondContact O-N 2.7Š|
| 866 | R | 36.4 | Very low | 45.2 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | | | trans | -141.5 | 109.4 | 170.4 | -152 | 171 | -169.8 | 176.1 | 2.8 | 111.7 | | |
| 867 | T | 40.1 | Very low | 42.8 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | | | trans | -75.3 | 165.3 | -177.1 | 33.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 868 | P | 42.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | | | trans | -83.2 | 154.1 | -162.2 | 32.9 | -36.7 | 0 | 0 | 0 | 114.2 | H870 | P868-H870 PolarHBondContact O-N 2.88Š|
| 869 | F | 31.7 | Very low | 38.3 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 77% | 0.768 | 71% | 0.706 | S | S | * | * | | | trans | -89.6 | 91.2 | 168 | -77.4 | -76.9 | 0 | 0 | 0 | 111.4 | I871 | F869-I871 HydrophobicContact CD1-CD1 4.25Å; F869-I871 HydrophobicContact CD1-CG1 4.5Å |
| 870 | H | 28.9 | Very low | 36.4 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -87.6 | 126.4 | 146.6 | -72.3 | -92.3 | 0 | 0 | 0 | 108 | P868 | P868-H870 PolarHBondContact O-N 2.88Š|
| 871 | I | 26.7 | Very low | 35 | Very low | 146 Ų | 146 | 140 Ų | 140 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | -129.4 | 105.1 | 164 | -62.7 | -178.1 | 0 | 0 | 0 | 107.3 | F869 | F869-I871 HydrophobicContact CD1-CD1 4.25Å; F869-I871 HydrophobicContact CD1-CG1 4.5Å |
| 872 | T | 29.2 | Very low | 33.6 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | | | trans | -75.9 | 146.2 | 160.3 | 40.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 873 | S | 25.6 | Very low | 32.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | -75.3 | 143.7 | 171.6 | 40.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 874 | S | 28.4 | Very low | 31.7 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -138.5 | 141.8 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 875 | E | 27.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 46% | 0.463 | 76% | 0.756 | S | S | . | * | | | trans | -118 | 114.2 | -172.1 | 177.9 | 159.4 | -160 | 0 | 0 | 112.4 | Q434 | Q434-E875 PolarHBondContact NE2-OE2 3.14Š|
| 876 | R | 30.9 | Very low | 30.5 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 68% | 0.683 | 76% | 0.756 | S | S | * | * | | | trans | 32.4 | 116 | 143.4 | -60.2 | 176.6 | -88.6 | -103.9 | 3.4 | 118 | | |
| 877 | R | 28.9 | Very low | 30.1 | Very low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | | | | -155.7 | 141.8 | 127.1 | -121 | -175.7 | -61.3 | -179.9 | 5.1 | 114.9 | | |
| 878 | D | 26.7 | Very low | 29.8 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -69.2 | 169.9 | 173.9 | -45.9 | -93 | 0 | 0 | 0 | 112 | | |
| 879 | T | 30.3 | Very low | 29.1 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | cis | -165.9 | 169 | 14 | -14.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 880 | S | 27.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 71.9 | 154.3 | 146 | 73.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 881 | S | 29 | Very low | 29.9 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | cis | -172.4 | 138.9 | -19 | 162.1 | 0 | 0 | 0 | 0 | 111 | | |
| 882 | D | 28 | Very low | 30.1 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -167.7 | 119.9 | 137 | -102.4 | -14.7 | 0 | 0 | 0 | 109 | | |
| 883 | N | 28.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | | 79.6 | 87.1 | 70.9 | -79.1 | -47.3 | 0 | 0 | 0 | 115.8 | | |
| 884 | R | 30.9 | Very low | 30.3 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | | -172.9 | 147 | 97.5 | -101.1 | 171.6 | -80.5 | -163.4 | -6.1 | 115.9 | | |
| 885 | D | 28.3 | Very low | 30.3 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | trans | 38.2 | 123.9 | 147 | -54.8 | -50.3 | 0 | 0 | 0 | 122.2 | | |
| 886 | L | 34.3 | Very low | 30.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | | 176.6 | 88.6 | 108.7 | -97 | 146.8 | 0 | 0 | 0 | 115.7 | S888 | L886-S888 PolarHBondContact O-N 3.07Š|
| 887 | K | 27.9 | Very low | 30.2 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | 14.9 | 98.1 | 134.6 | -172.2 | -177.2 | 179.6 | 178.3 | 0 | 119.9 | | |
| 888 | S | 32.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -165.5 | 116.7 | 139.6 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | L886 | L886-S888 PolarHBondContact O-N 3.07Š|
| 889 | Q | 28.5 | Very low | 30.6 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | | 66.4 | 113.7 | 63.5 | -113.4 | -176.2 | -1.1 | 0 | 0 | 115.8 | | |
| 890 | T | 35.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -101.3 | 133.4 | 178 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 891 | P | 42.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -100.8 | 130 | 154.5 | 33.9 | -26 | 0 | 0 | 0 | 110.1 | | |
| 892 | A | 30.2 | Very low | 30.7 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | cis | 89 | 93 | 15.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 893 | A | 30.5 | Very low | 30.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -170.3 | 136.5 | 146 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 894 | G | 28 | Very low | 31.7 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | cis | 173.7 | 160.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 895 | W | 29.7 | Very low | 31.6 | Very low | 255 Ų | 255 | 140.8 Ų | 140.8 | 97% | 0.966 | 80% | 0.8 | S | S | * | * | | | trans | 64.1 | 152.5 | 153 | -60.8 | -9.9 | 0 | 0 | 0 | 119.9 | | |
| 896 | C | 28.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | cis | -159.3 | 173.8 | -22.6 | -110.7 | 0 | 0 | 0 | 0 | 111 | | |
| 897 | S | 27.8 | Very low | 31.2 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -83.8 | 148.6 | -172.1 | 177 | 0 | 0 | 0 | 0 | 115.7 | | |
| 898 | S | 33.5 | Very low | 31.3 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | 178.6 | 152.3 | 130.2 | -85.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 899 | R | 31.1 | Very low | 31.2 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | 78.1 | 98.7 | 154 | -82.6 | -174.4 | 159.7 | -142 | -4 | 123.8 | | |
| 900 | S | 29 | Very low | 31.3 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | | 74.5 | 96.2 | 108.4 | -149 | 0 | 0 | 0 | 0 | 124.1 | | |
| 901 | S | 28.9 | Very low | 31.2 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | | 78.5 | 135.1 | 116.3 | 77 | 0 | 0 | 0 | 0 | 124.5 | | |
| 902 | R | 31.2 | Very low | 30.7 | Very low | 243 Ų | 243 | 132.3 Ų | 132.3 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | 80.3 | 128.8 | 159.5 | -54 | -175.2 | -167.5 | -122.8 | 0.3 | 119.1 | | |
| 903 | G | 28.8 | Very low | 30.7 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -102.5 | -139.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 904 | P | 49.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | cis | -138.7 | -167.2 | -5.3 | 26.7 | -0.2 | 0 | 0 | 0 | 114.3 | | |
| 905 | F | 27.6 | Very low | 30.8 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | 79.1 | 156.4 | 158.8 | -67.8 | -64.1 | 0 | 0 | 0 | 122.5 | | |
| 906 | S | 28.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | 65.8 | 125.5 | 165.4 | -57.6 | 0 | 0 | 0 | 0 | 118 | | |
| 907 | A | 25.7 | Very low | 30.9 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | 88 | 148.5 | 26.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 908 | S | 29.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | 68 | 118.8 | 175.6 | -73.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 909 | T | 30.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | | | cis | 99.7 | 132.6 | 40.6 | 55 | 0 | 0 | 0 | 0 | 113.2 | | |
| 910 | E | 31.4 | Very low | 33.5 | Very low | 177 Ų | 177 | 126.3 Ų | 126.3 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | 66.6 | 170.1 | 159.3 | -66.7 | 171.4 | 163 | 0 | 0 | 116.3 | | |
| 911 | T | 33.6 | Very low | 33.5 | Very low | 127 Ų | 127 | 127 Ų | 127 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | cis | -145.8 | 169.6 | -7.3 | -2.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 912 | D | 30.6 | Very low | 33.8 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | cis | -128.8 | -95.5 | 0.2 | 170.4 | 38.2 | 0 | 0 | 0 | 109.2 | N914 | D912-N914 PolarHBondContact OD2-ND2 3.42Š|
| 913 | G | 31.8 | Very low | 33.8 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | | | cis | 149.8 | 140.9 | -17.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 914 | N | 30.7 | Very low | 34 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | | | cis | -168.2 | 158.3 | -13.6 | -150.4 | -42.5 | 0 | 0 | 0 | 109.8 | D912 | D912-N914 PolarHBondContact OD2-ND2 3.42Š|
| 915 | V | 29.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | 58.5 | 163.7 | 169.2 | -115.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 916 | T | 29.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | cis | -152.8 | 167.8 | 8.2 | -27.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 917 | A | 30.3 | Very low | 33.7 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | trans | 82.9 | 164.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 918 | R | 32.9 | Very low | 34.2 | Very low | 232 Ų | 232 | 128.8 Ų | 128.8 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | | | trans | -161.8 | 171.9 | -155.3 | -169.6 | -158.4 | -171.2 | -168 | 5.5 | 108 | | |
| 919 | P | 61.4 | Low | 34.4 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | | -83 | -116.8 | -70.2 | 26.3 | -4.6 | 0 | 0 | 0 | 108.4 | | |
| 920 | P | 53.5 | Low | 34.7 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | | | cis | -134.1 | -164.4 | -31.9 | 27.1 | -1.6 | 0 | 0 | 0 | 115.4 | | |
| 921 | V | 29.1 | Very low | 34.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | | | trans | 102.2 | 90.4 | 152.8 | -165.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 922 | L | 35.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | | | | 41.4 | 139.2 | 127.2 | -58.6 | 172.9 | 0 | 0 | 0 | 124.2 | | |
| 923 | K | 31.4 | Very low | 34.8 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | | | trans | 122 | 151.9 | 139.8 | -68.7 | -177.8 | -178.1 | -179 | 0 | 114.6 | | |
| 924 | F | 32.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | cis | 178 | 134.9 | -44.8 | -116.1 | -55.1 | 0 | 0 | 0 | 108.3 | | |
| 925 | F | 32.2 | Very low | 35.1 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | 64.4 | 131.7 | 165.2 | -62.5 | -58.4 | 0 | 0 | 0 | 117.3 | | |
| 926 | S | 34 | Very low | 35.3 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | | 82 | 141.6 | 58.6 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 927 | A | 32.6 | Very low | 35.5 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | cis | -172.3 | 178.4 | -10.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 928 | A | 35.7 | Very low | 35.6 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | trans | 92 | 134.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 929 | R | 35 | Very low | 35.4 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | | | trans | 67.9 | 142.7 | 142.9 | -72.3 | 171 | 174 | -96.9 | 1.8 | 118.9 | | |
| 930 | Q | 37 | Very low | 33.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 54% | 0.542 | 73% | 0.732 | S | S | . | * | | | cis | -176.9 | 153.5 | 14.7 | -120.8 | 164.8 | -56.8 | 0 | 0 | 112.5 | | |
| 931 | H | 33.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 140 Ų | 140 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | 61.7 | 137.1 | 147.7 | -57.1 | -48.2 | 0 | 0 | 0 | 124.8 | | |
| 932 | S | 30.4 | Very low | 34.2 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | | 139.1 | 122.9 | 103.6 | -157.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 933 | K | 33.7 | Very low | 34.1 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | trans | 59.2 | 178.8 | 150.6 | -67.5 | 174.5 | -176 | -176.6 | 0 | 119.9 | | |
| 934 | M | 34.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | | -172.2 | 135.5 | -67 | -118.4 | -175.1 | 81.2 | 0 | 0 | 111.7 | | |
| 935 | T | 34.6 | Very low | 34.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | 62.5 | 135.6 | 146.5 | 50.9 | 0 | 0 | 0 | 0 | 125.9 | | |
| 936 | F | 32.6 | Very low | 34.7 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | | | | 106.9 | 104.4 | 127.7 | -101.7 | -125.9 | 0 | 0 | 0 | 125.4 | | |
| 937 | T | 34.4 | Very low | 34.8 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | | | | 69.5 | 159.8 | 124.8 | 59.2 | 0 | 0 | 0 | 0 | 126.6 | | |
| 938 | Q | 31.1 | Very low | 34.6 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | 88.2 | 155.4 | 161.1 | -71.8 | -168.7 | -18.6 | 0 | 0 | 120.8 | | |
| 939 | S | 30.1 | Very low | 34.4 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | cis | 178.9 | 163.5 | -48.3 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 940 | L | 29.9 | Very low | 34.2 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | 90.1 | 170.9 | 158.2 | -58.2 | 179.9 | 0 | 0 | 0 | 122.1 | | |
| 941 | T | 32.7 | Very low | 33.8 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -136.4 | -124.7 | -147.5 | 40.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 942 | P | 54.5 | Low | 33.7 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | | -128.2 | -175.7 | -106.4 | 39.3 | -21.7 | 0 | 0 | 0 | 119.2 | | |
| 943 | G | 33.1 | Very low | 33.8 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 166.7 | 125.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 944 | N | 37.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | | | trans | 62.3 | 130 | 135.9 | -61.8 | -21.1 | 0 | 0 | 0 | 128 | | |
| 945 | R | 35 | Very low | 33.8 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | | 152.8 | 108 | 96.4 | -163.9 | 173.8 | -164.9 | -77.1 | -0.9 | 120.6 | | |
| 946 | S | 36.1 | Very low | 33.9 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | | 56.3 | 134.8 | 129.6 | -146.3 | 0 | 0 | 0 | 0 | 128.9 | | |
| 947 | Q | 36.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | | | | 115 | 129 | 122.9 | -107.1 | 164.7 | -19.9 | 0 | 0 | 127.2 | | |
| 948 | F | 27.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | 83.7 | 113.4 | 144.3 | -74.3 | -51.1 | 0 | 0 | 0 | 129.1 | | |
| 949 | S | 32.9 | Very low | 34 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | | 72.7 | 133.9 | 124.1 | -78.8 | 0 | 0 | 0 | 0 | 130.1 | | |
| 950 | M | 29.5 | Very low | 34.1 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 77.8 | 110 | 145.2 | -67.3 | -62.3 | -75.2 | 0 | 0 | 125.4 | | |
| 951 | E | 30.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | 39.6 | 115 | 130.4 | -165.5 | 164 | -144.5 | 0 | 0 | 124 | | |
| 952 | E | 31.9 | Very low | 35.6 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | | 176.4 | 155.2 | 106.1 | -173.1 | 166.6 | -146.3 | 0 | 0 | 110.8 | | |
| 953 | G | 30.8 | Very low | 34.9 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | 122.2 | 148 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 954 | R | 36.7 | Very low | 35.4 | Very low | 251 Ų | 251 | 145 Ų | 145 | 95% | 0.947 | 77% | 0.765 | S | S | * | * | | | trans | -111.5 | 155.4 | -170.2 | -69.4 | -173.2 | 177.1 | -157.7 | -0.1 | 115.4 | | |
| 955 | A | 31.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | 96.3 | 155.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 956 | S | 37.1 | Very low | 35 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 74.7 | 63.3 | 169 | -157.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 957 | T | 33.4 | Very low | 34.8 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | | 40.5 | 104.2 | 126.8 | -46.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 958 | V | 32.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | 66 | 89.3 | 150.9 | -171.5 | 0 | 0 | 0 | 0 | 118 | | |
| 959 | H | 34.3 | Very low | 34.9 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | | -97.2 | 177.7 | 118.9 | -72.5 | 32.8 | 0 | 0 | 0 | 107.2 | | |
| 960 | V | 31.7 | Very low | 35.5 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | cis | -152 | 172.4 | 24.1 | -118.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 961 | P | 53 | Low | 35.8 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | -114.6 | -173.1 | -173.7 | 44 | -35.1 | 0 | 0 | 0 | 113.9 | | |
| 962 | K | 41.7 | Very low | 35.9 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 63.1 | 157.5 | 154.1 | -77.6 | 178.6 | 178 | 177 | 0 | 117.3 | | |
| 963 | D | 38.5 | Very low | 36.1 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 54% | 0.535 | 77% | 0.771 | S | S | . | * | | | cis | -155 | 154.6 | -11.8 | -128.3 | -26.8 | 0 | 0 | 0 | 107.5 | | |
| 964 | K | 44.4 | Very low | 36.6 | Very low | 165 Ų | 165 | 148 Ų | 148 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | 27.1 | 132.5 | 152 | -56.4 | 141.9 | -170.3 | 147.6 | 0 | 120.7 | | |
| 965 | S | 34.2 | Very low | 36.5 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | | 158.8 | 173.3 | 104.2 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 966 | V | 30.7 | Very low | 36.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 72.6 | 102.1 | 160.6 | -176.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 967 | F | 30.8 | Very low | 36.7 | Very low | 187 Ų | 187 | 145 Ų | 145 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | | | | 39.7 | 121.8 | 121.4 | -94.4 | -119.5 | 0 | 0 | 0 | 122.5 | | |
| 968 | V | 31.1 | Very low | 36.4 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | | | | 62.4 | 118.9 | 119.1 | 176.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 969 | E | 35.8 | Very low | 36.3 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | | -140.5 | 150.8 | 117.3 | -166 | 147.2 | -135.2 | 0 | 0 | 109.6 | | |
| 970 | L | 44.3 | Very low | 35.9 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | | | trans | -125.6 | 103.7 | -177.4 | -96.9 | 171.8 | 0 | 0 | 0 | 109.5 | | |
| 971 | E | 36.1 | Very low | 35.6 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | | | trans | -170.2 | 157.1 | 165.2 | -99 | -154.8 | -177.6 | 0 | 0 | 109.5 | | |
| 972 | S | 32.7 | Very low | 34.4 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | | | cis | -159.9 | 149.7 | -26.4 | -143.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 973 | N | 35.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | trans | 2.6 | 117 | 155.5 | -56.5 | -87 | 0 | 0 | 0 | 119.2 | | |
| 974 | R | 41.3 | Very low | 33.9 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -168.5 | 106 | 134.6 | -107.1 | 168.6 | 173.8 | 117 | 1.1 | 112.1 | | |
| 975 | T | 35.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 80.4 | 111 | 97.2 | 57.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 976 | N | 35.2 | Very low | 33.3 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | | 40.8 | 140 | 115.3 | -78.9 | 11 | 0 | 0 | 0 | 122 | | |
| 977 | H | 37 | Very low | 33.3 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | | | trans | 90 | 141.3 | 142.1 | -65 | -32.8 | 0 | 0 | 0 | 120.4 | | |
| 978 | V | 28.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | trans | 68 | 105 | 146.2 | 164.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 979 | Q | 30.5 | Very low | 33.7 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | | 73.2 | 148.4 | 68.6 | -173.6 | -152.9 | -19.4 | 0 | 0 | 111.5 | | |
| 980 | V | 24.5 | Very low | 33.6 | Very low | 97 Ų | 97 | 149 Ų | 149 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | | | trans | 56 | 103.9 | 169.9 | -80.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 981 | Q | 27 | Very low | 33.2 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | | 75.6 | 161.8 | 110.6 | -158.4 | 176.4 | 34.5 | 0 | 0 | 118.5 | | |
| 982 | S | 26.8 | Very low | 33.1 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 71.9 | 131.9 | 174.8 | 72 | 0 | 0 | 0 | 0 | 115.8 | | |
| 983 | R | 34.8 | Very low | 33 | Very low | 186 Ų | 186 | 148 Ų | 148 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | cis | 102.8 | 95.5 | 21 | 178.1 | -122.8 | -152.2 | -126.4 | 16.3 | 113.1 | | |
| 984 | E | 34.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | trans | -168.1 | 113.1 | 135.3 | -131.2 | 70.3 | -81.4 | 0 | 0 | 105 | | |
| 985 | R | 32.4 | Very low | 32.4 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | | | cis | 82 | 94.1 | 46.6 | -164 | -168.6 | -155.7 | -147 | 6.7 | 113.3 | | |
| 986 | S | 35 | Very low | 32.2 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -132.3 | 116.2 | 153 | 39.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 987 | E | 31.2 | Very low | 32 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | 37.4 | 121.2 | 149.2 | -51.8 | -171.5 | 108.5 | 0 | 0 | 121.2 | | |
| 988 | G | 31.7 | Very low | 31.9 | Very low | 70 Ų | 70 | 152.3 Ų | 152.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | cis | 166.1 | 174.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 989 | K | 37.3 | Very low | 32.2 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | 79 | 105.5 | 177.3 | -57.4 | 172.2 | -177.3 | 172.6 | 0 | 114.7 | | |
| 990 | E | 35 | Very low | 32.6 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | | 77.9 | 130.4 | 73.3 | -84.3 | -162.1 | 121.7 | 0 | 0 | 113 | | |
| 991 | K | 35.5 | Very low | 32.9 | Very low | 168 Ų | 168 | 158 Ų | 158 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | cis | -137.7 | 149.9 | 8.3 | -67 | -164.9 | 168.1 | -179.7 | 0 | 109.2 | | |
| 992 | A | 33 | Very low | 33.2 | Very low | 82 Ų | 82 | 153.4 Ų | 153.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | | 64.2 | 133.7 | 61.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 993 | D | 30.8 | Very low | 33.5 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | cis | -158.5 | -176.5 | -0.3 | -137 | -46.4 | 0 | 0 | 0 | 113.8 | | |
| 994 | S | 33.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 152.2 Ų | 152.2 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -96.9 | 152.7 | -170.7 | -42.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 995 | L | 30.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | | | trans | -163.4 | 160.9 | 137.7 | -138.7 | 69.1 | 0 | 0 | 0 | 115.5 | | |
| 996 | R | 32.9 | Very low | 33.5 | Very low | 223 Ų | 223 | 148 Ų | 148 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -79.8 | 161.4 | 169.4 | -49.2 | 162.5 | 173.3 | -120.8 | 2.6 | 111.3 | | |
| 997 | E | 30.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | | -154.7 | -173.5 | 113.5 | -130.6 | -150 | 122.9 | 0 | 0 | 113.6 | K999 | E997-K999 IonicContact OE1-NZ 3.9Å; E997-K999 PolarHBondContact OE1-NZ 2.68Å; E997-K999 IonicContact OE2-NZ 3Å |
| 998 | R | 35.8 | Very low | 33.4 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | trans | -137.6 | 136.3 | -163.1 | 160.3 | -144.6 | -75.1 | 156.6 | -10.4 | 108.8 | | |
| 999 | K | 33.8 | Very low | 33.5 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | | | trans | 176.1 | 131.7 | 145.6 | -92.5 | 136.1 | -161 | 147.4 | 0 | 113.1 | E997 | E997-K999 IonicContact OE1-NZ 3.9Å; E997-K999 PolarHBondContact OE1-NZ 2.68Å; E997-K999 IonicContact OE2-NZ 3Å |
| 1000 | R | 37.7 | Very low | 33.6 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | | | | 52.1 | 170.5 | 125.3 | -44.4 | -172.3 | -161.5 | 163.6 | 1.3 | 119.7 | | |
| 1001 | E | 31.4 | Very low | 33.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | | | cis | -156.9 | 136.5 | 13.2 | -152.8 | 146.6 | -129.1 | 0 | 0 | 113.6 | | |
| 1002 | G | 32.8 | Very low | 33.5 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | | | trans | 71.4 | 176.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1003 | K | 33.3 | Very low | 33.6 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | | | cis | -172.8 | 149.7 | -17.5 | -177.6 | -171.3 | 173.7 | -170.3 | 0 | 108.5 | | |
| 1004 | S | 32 | Very low | 33.8 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | | | cis | 177.8 | 163.4 | -37.3 | 69.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1005 | T | 32.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | | | trans | 65.5 | 145 | 153.5 | 54 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1006 | K | 36.8 | Very low | 34.5 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | | | cis | -179.2 | 155.4 | 9.1 | -127.8 | -179.4 | 168.2 | -91.1 | 0 | 112.9 | | |
| 1007 | M | 31.9 | Very low | 34.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 40% | 0.399 | 65% | 0.649 | S | S | . | * | | | trans | 72.9 | 135.5 | 147.8 | -21.3 | -144.4 | -54.4 | 0 | 0 | 123.4 | A225 N226 | A225-M1007 HydrophobicContact CB-CE 4.33Å; N226-M1007 WeakPolarHBondContact ND2-CE 3.47Å; N226-M1007 PolarHBondContact ND2-SD 3.49Å; N226-M1007 VanDerWaalsContact OD1-CB 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CB 3.38Å; N226-M1007 VanDerWaalsContact OD1-CG 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CG 3.37Å; N226-M1007 PolarHBondContact OD1-SD 3.16Å |
| 1008 | D | 32.4 | Very low | 34.6 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 36% | 0.364 | 64% | 0.641 | S | S | . | * | | | | 149.2 | 149.8 | 129.4 | -67.9 | -5.1 | 0 | 0 | 0 | 119.2 | S224 A225 N226 S227 | S224-D1008 WeakPolarHBondContact CB-OD2 3.3Å; S224-D1008 PolarHBondContact OG-OD2 3.26Å; A225-D1008 WeakPolarHBondContact CA-OD1 3.44Å; A225-D1008 WeakPolarHBondContact CB-OD1 3.39Å; N226-D1008 PolarHBondContact N-OD1 3.2Å; S227-D1008 WeakPolarHBondContact CA-O 3.41Å; S227-D1008 PolarHBondContact N-O 3.45Å |
| 1009 | D | 33.9 | Very low | 34.6 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | | | trans | -150.3 | 171.8 | -140.2 | -178.1 | 34.8 | 0 | 0 | 0 | 119 | | |
| 1010 | E | 40.4 | Very low | 34.6 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | | | trans | 63.7 | 118.3 | 157.8 | -122.5 | -179.9 | -160.6 | 0 | 0 | 123.6 | | |
| 1011 | G | 34.3 | Very low | 34.4 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | | | | 102.3 | 116.7 | 118.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1012 | A | 34 | Very low | 34.6 | Very low | 71 Ų | 71 | 124.6 Ų | 124.6 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | | | trans | 171.7 | 146.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1013 | D | 35.2 | Very low | 34.5 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | | | trans | -90.5 | 170.6 | -176.4 | -83.2 | -80.1 | 0 | 0 | 0 | 115 | E259 D260 | E259-D1013 WeakPolarHBondContact CA-O 3.27Å; E259-D1013 PolarHBondContact N-O 2.81Å; E259-D1013 VanDerWaalsContact N-O 3.14Å; D260-D1013 WeakPolarHBondContact CA-O 3.32Å; D260-D1013 PolarHBondContact N-O 2.78Å |
| 1014 | Q | 35 | Very low | 34.6 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 43% | 0.43 | 65% | 0.648 | S | S | . | * | | | trans | -149.5 | 148.5 | 158.4 | 179.1 | 50.5 | 47.6 | 0 | 0 | 111.6 | E259 D260 | E259-Q1014 PolarHBondContact OE1-NE2 2.67Å; D260-Q1014 VanDerWaalsContact CB-OE1 3.29Å; D260-Q1014 WeakPolarHBondContact OD1-CB 3.4Å; D260-Q1014 WeakPolarHBondContact OD1-CG 3.36Å; D260-Q1014 PolarHBondContact OD1-OE1 2.97Å |
| 1015 | D | 35.3 | Very low | 35.2 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | | | trans | -100.7 | 162.2 | 179.1 | -156.9 | 4.4 | 0 | 0 | 0 | 114.3 | | |
| 1016 | R | 41.6 | Very low | 35.5 | Very low | 203 Ų | 203 | 128.7 Ų | 128.7 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | | | trans | -48.5 | 159.6 | -177.8 | -54.8 | 146.4 | -177.1 | 103.4 | 2 | 115 | | |
| 1017 | K | 33.9 | Very low | 35.5 | Very low | 168 Ų | 168 | 123 Ų | 123 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | | | | -172.1 | 145.6 | 103.9 | -100.4 | -179 | 154.1 | -67 | 0 | 117.4 | | |
| 1018 | D | 33.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 57% | 0.572 | 64% | 0.642 | S | S | * | * | | | trans | 50.5 | 110.2 | 143.8 | -47.8 | -14.1 | 0 | 0 | 0 | 122.5 | | |
| 1019 | E | 34.9 | Very low | 36.1 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | | | | 80.5 | 147.9 | 125.8 | -65.1 | -177.2 | 175.8 | 0 | 0 | 124.3 | | |
| 1020 | E | 33.5 | Very low | 36.1 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | | | trans | 60 | 102.2 | 157.9 | -70.8 | -160 | 128.5 | 0 | 0 | 125.3 | | |
| 1021 | F | 33.6 | Very low | 36 | Very low | 178 Ų | 178 | 118.4 Ų | 118.4 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | | | | 72.8 | 140.7 | 119 | -89.5 | -121.9 | 0 | 0 | 0 | 123.2 | | |
| 1022 | I | 35.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 68% | 0.677 | 62% | 0.621 | S | S | * | * | | | trans | 73.3 | 137.6 | 153.3 | -63.9 | 157.9 | 0 | 0 | 0 | 118.6 | E1024 | I1022-E1024 HydrophobicContact CG2-CG 3.59Š|
| 1023 | D | 31 | Very low | 36.6 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 89% | 0.888 | 63% | 0.627 | S | S | * | * | | | trans | -137.2 | 151.8 | 148.3 | -172 | 19.5 | 0 | 0 | 0 | 109.6 | | |
| 1024 | E | 35.7 | Very low | 36.8 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | | | trans | -126.6 | 101.6 | -163 | -62.6 | -166.8 | 145.3 | 0 | 0 | 115.2 | I1022 | I1022-E1024 HydrophobicContact CG2-CG 3.59Š|
| 1025 | S | 44.4 | Very low | 38.2 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | | | trans | 53.2 | 94.7 | 145.8 | 64.9 | 0 | 0 | 0 | 0 | 120.4 | R146 | R146-S1025 PolarHBondContact NH1-O 3.04Š|
| 1026 | D | 37.6 | Very low | 38 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | | | trans | -131.6 | 111.9 | -177.6 | -137.7 | 79.8 | 0 | 0 | 0 | 117.3 | R146 | R146-D1026 IonicContact CZ-OD1 3.83Å; R146-D1026 IonicContact CZ-OD2 2.89Å; R146-D1026 VanDerWaalsContact NH1-CG 3.35Å; R146-D1026 IonicContact NH1-OD1 3.61Å; R146-D1026 PolarHBondContact NH1-OD1 3.2Å; R146-D1026 IonicContact NH1-OD2 3.08Å; R146-D1026 IonicContact NH2-OD1 3.96Å; R146-D1026 PolarHBondContact NH2-OD1 2.71Å; R146-D1026 IonicContact NH2-OD2 3.95Å; R146-D1026 PolarHBondContact NH2-OD2 3.4Å |
| 1027 | C | 36.8 | Very low | 38.1 | Very low | 38 Ų | 38 | 130.5 Ų | 130.5 | 26% | 0.257 | 65% | 0.654 | S | S | . | * | | | trans | -145.4 | 162.7 | 168.3 | 39.1 | 0 | 0 | 0 | 0 | 111.5 | D142 K145 R146 | D142-C1027 VanDerWaalsContact O-CB 3.31Å; D142-C1027 WeakPolarHBondContact O-CB 3.4Å; K145-C1027 HydrophobicContact CB-CB 4.01Å; R146-C1027 HydrophobicContact CB-CB 4.38Å; R146-C1027 WeakPolarHBondContact CB-O 3.25Å; R146-C1027 WeakPolarHBondContact CB-SG 3.39Å; R146-C1027 PolarHBondContact NE-O 2.7Å; R146-C1027 PolarHBondContact NH2-O 2.97Å |
| 1028 | E | 36.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 51% | 0.509 | 66% | 0.657 | S | S | . | * | | | trans | -144.7 | 86.6 | 177.9 | -162.4 | 133.1 | -174.1 | 0 | 0 | 119.2 | G143 R146 K147 | G143-E1028 CarbonylContact O-C 2.89Å; G143-E1028 VanDerWaalsContact O-CA 3.28Å; G143-E1028 WeakPolarHBondContact O-CA 3.27Å; G143-E1028 PolarHBondContact O-N 2.66Å; R146-E1028 CarbonylContact O-C 3.59Å; R146-E1028 WeakPolarHBondContact O-CA 3.28Å; K147-E1028 HydrophobicContact CB-CG 4.24Å; K147-E1028 WeakPolarHBondContact CB-OE1 3.35Å; K147-E1028 WeakPolarHBondContact CD-OE2 3.27Å; K147-E1028 VanDerWaalsContact CE-OE2 3.28Å; K147-E1028 WeakPolarHBondContact CE-OE2 3.35Å; K147-E1028 IonicContact NZ-OE2 3.67Å; K147-E1028 PolarHBondContact NZ-OE2 3.36Å |
| 1029 | S | 41 | Very low | 39.1 | Very low | 37 Ų | 37 | 133.5 Ų | 133.5 | 26% | 0.259 | 67% | 0.669 | S | S | . | * | | | trans | 43.3 | 142.6 | 148.2 | -108.9 | 0 | 0 | 0 | 0 | 128.8 | G143 H144 R146 K147 | G143-S1029 PolarHBondContact O-N 3.27Å; H144-S1029 WeakPolarHBondContact O-CA 3.37Å; R146-S1029 WeakPolarHBondContact O-CA 3.22Å; R146-S1029 WeakPolarHBondContact O-CB 2.97Å; R146-S1029 PolarHBondContact O-N 2.91Å; R146-S1029 PolarHBondContact O-OG 2.84Å; R146-S1029 VanDerWaalsContact O-OG 3.07Å; K147-S1029 WeakPolarHBondContact O-CB 3.45Å; K147-S1029 PolarHBondContact O-OG 3.18Å; K147-S1029 VanDerWaalsContact O-OG 3.12Å |
| 1030 | D | 34.4 | Very low | 39.2 | Very low | 83 Ų | 83 | 127 Ų | 127 | 44% | 0.444 | 65% | 0.651 | S | S | . | * | | | trans | 65.4 | 116.7 | 135.5 | -157.3 | 18.4 | 0 | 0 | 0 | 120 | H144 R1032 | H144-D1030 PolarHBondContact O-N 3Å; D1030-R1032 WeakPolarHBondContact OD1-CG 3.44Å; D1030-R1032 IonicContact OD2-CZ 3.85Å; D1030-R1032 IonicContact OD2-NE 3.88Å; D1030-R1032 PolarHBondContact OD2-NE 3.19Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 3.46Å |
| 1031 | S | 37.4 | Very low | 39.2 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | | | trans | -129.9 | 138.4 | 159 | 63 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1032 | R | 40.8 | Very low | 39.9 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | | | trans | -115 | 115.8 | -166.4 | -78.6 | -172.1 | 172.6 | -115.9 | 7.1 | 116.2 | D1030 | D1030-R1032 WeakPolarHBondContact OD1-CG 3.44Å; D1030-R1032 IonicContact OD2-CZ 3.85Å; D1030-R1032 IonicContact OD2-NE 3.88Å; D1030-R1032 PolarHBondContact OD2-NE 3.19Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 3.46Å |
| 1033 | R | 41.7 | Very low | 39.8 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | | | trans | 78.4 | 105.2 | 133 | -70.1 | -169.3 | -62.4 | -176.6 | -0.4 | 121.6 | | |
| 1034 | D | 39.5 | Very low | 39.9 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | | | | 80.7 | 156.6 | 102.1 | -69.1 | -14.5 | 0 | 0 | 0 | 124.5 | | |
| 1035 | P | 63.6 | Low | 39.8 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | | | trans | -126.1 | -154.1 | -166.5 | 44.1 | -24.8 | 0 | 0 | 0 | 114 | | |
| 1036 | D | 32.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | | | trans | -166.3 | 166.3 | 177.9 | -129.2 | -8.2 | 0 | 0 | 0 | 110.5 | | |
| 1037 | K | 42.3 | Very low | 38.6 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 65% | 0.648 | 68% | 0.683 | S | S | * | * | | | cis | -163.7 | 118.5 | -3.4 | -160.9 | 166.6 | -142.8 | 72.5 | 0 | 114.1 | | |
| 1038 | M | 47 | Very low | 38.4 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | | | trans | 60.1 | 178.3 | 156.4 | -62 | -70.5 | 163.9 | 0 | 0 | 116.7 | | |
| 1039 | Q | 40.9 | Very low | 38.4 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | cis | -150.6 | -166.3 | -16.7 | -126.4 | 169.9 | 63.6 | 0 | 0 | 108.5 | | |
| 1040 | G | 37.3 | Very low | 38.7 | Very low | 46 Ų | 46 | 145.5 Ų | 145.5 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | | | cis | -177.6 | -160.5 | 10.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1041 | F | 33.9 | Very low | 38.6 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -153.7 | 171.2 | -166.6 | -73.1 | -69.9 | 0 | 0 | 0 | 111.1 | | |
| 1042 | P | 48.6 | Very low | 39.2 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | cis | -126.2 | -142.3 | 29.8 | 31.1 | -4.3 | 0 | 0 | 0 | 113 | | |
| 1043 | A | 32.9 | Very low | 38.9 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | cis | -151.1 | -135.7 | 9.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1044 | L | 34.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -127.8 | 149 | -162.3 | -69.8 | 171.6 | 0 | 0 | 0 | 114.8 | | |
| 1045 | S | 33 | Very low | 38.4 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 176.9 | 178.7 | -43.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1046 | L | 29.1 | Very low | 37.3 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | | -131.9 | -161 | 69.6 | -77.5 | 176.3 | 0 | 0 | 0 | 111 | | |
| 1047 | S | 26.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | cis | -149 | -145.8 | 16.4 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1048 | R | 32.8 | Very low | 37.4 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -131.9 | 108.2 | -164.7 | 174.1 | -172.2 | -176.1 | 165.2 | 1.3 | 111.7 | | |
| 1049 | E | 36.6 | Very low | 37.2 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -148.1 | 163.2 | 158 | -163.9 | 139.8 | -131.1 | 0 | 0 | 108.4 | | |
| 1050 | I | 47 | Very low | 37.7 | Very low | 171 Ų | 171 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -122.2 | 112.3 | -177.6 | -61.2 | 175.9 | 0 | 0 | 0 | 108.5 | | |
| 1051 | D | 34.1 | Very low | 38.1 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -134.7 | 141.6 | -177.7 | -164.5 | 54.2 | 0 | 0 | 0 | 110.4 | G1053 | D1051-G1053 PolarHBondContact O-N 3.39Å; D1051-G1053 VanDerWaalsContact O-N 3.11Å |
| 1052 | P | 49.6 | Very low | 39.3 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -91.3 | 70.6 | -165.7 | 36.4 | -33.5 | 0 | 0 | 0 | 112.5 | | |
| 1053 | G | 34.4 | Very low | 39.9 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | trans | -146.9 | 90 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1051 | D1051-G1053 PolarHBondContact O-N 3.39Å; D1051-G1053 VanDerWaalsContact O-N 3.11Å |
| 1054 | L | 34.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -115.3 | 85.4 | 165 | -74 | 179.7 | 0 | 0 | 0 | 110.7 | I1056 | L1054-I1056 PolarHBondContact O-N 3.37Š|
| 1055 | T | 35 | Very low | 41.5 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | trans | -59.9 | 123.3 | 157.2 | 46.5 | 0 | 0 | 0 | 0 | 109 | S1057 | T1055-S1057 PolarHBondContact O-N 3.1Š|
| 1056 | I | 39.9 | Very low | 42.5 | Very low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | | | trans | -71.4 | 103.1 | 178.9 | -57.7 | 174.6 | 0 | 0 | 0 | 108.8 | L1054 | L1054-I1056 PolarHBondContact O-N 3.37Š|
| 1057 | S | 37 | Very low | 44.2 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -66.1 | 137.4 | 165.9 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | T1055 C1059 | T1055-S1057 PolarHBondContact O-N 3.1Å; S1057-C1059 PolarHBondContact O-N 3.05Å |
| 1058 | P | 41.4 | Very low | 45.3 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | | | trans | -60.9 | 136 | -178.6 | 25.5 | -34.3 | 0 | 0 | 0 | 111.6 | I1060 | P1058-I1060 PolarHBondContact O-N 2.81Š|
| 1059 | C | 42 | Very low | 46.1 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 86% | 0.858 | 68% | 0.682 | S | S | * | * | | | trans | -68.8 | 103.3 | -174 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | S1057 | S1057-C1059 PolarHBondContact O-N 3.05Š|
| 1060 | I | 51.4 | Low | 47.3 | Very low | 152 Ų | 152 | 115.4 Ų | 115.4 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | | | trans | -75.5 | 133.6 | 165.8 | -58.8 | 177.5 | 0 | 0 | 0 | 108.6 | P1058 L1062 | P1058-I1060 PolarHBondContact O-N 2.81Å; I1060-L1062 PolarHBondContact O-N 3.16Å; I1060-L1062 VanDerWaalsContact O-N 3.08Å |
| 1061 | A | 44.5 | Very low | 47.4 | Very low | 90 Ų | 90 | 110.9 Ų | 110.9 | 74% | 0.744 | 65% | 0.648 | S | S | * | * | | | trans | -73.8 | 99.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1062 | L | 59.3 | Low | 48.1 | Very low | 85 Ų | 85 | 109 Ų | 109 | 45% | 0.445 | 64% | 0.638 | S | S | . | * | | | trans | -64.5 | 139.2 | 176.1 | -60.3 | -178.5 | 0 | 0 | 0 | 112.2 | I1060 E1066 R1067 | I1060-L1062 PolarHBondContact O-N 3.16Å; I1060-L1062 VanDerWaalsContact O-N 3.08Å; L1062-E1066 HydrophobicContact CB-CB 4.22Å; L1062-R1067 VanDerWaalsContact O-CZ 3.3Å; L1062-R1067 PolarHBondContact O-NE 2.92Å; L1062-R1067 PolarHBondContact O-NH2 3.49Å |
| 1063 | T | 61.8 | Low | 48 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | | | trans | -70.5 | 170.4 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | E1065 E1066 R1067 | T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 3Å; T1063-E1066 WeakPolarHBondContact CB-OE2 3.27Å; T1063-E1066 PolarHBondContact N-OE2 3.22Å; T1063-E1066 PolarHBondContact O-N 3.35Å; T1063-E1066 WeakPolarHBondContact OG1-CG 3.49Å; T1063-E1066 PolarHBondContact OG1-OE2 2.95Å; T1063-R1067 WeakPolarHBondContact O-CG 3.37Å; T1063-R1067 PolarHBondContact O-N 2.88Å |
| 1064 | S | 49.8 | Very low | 48.7 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.7 | -37.3 | -178.5 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | T1068 | S1064-T1068 PolarHBondContact O-N 3.43Å; S1064-T1068 PolarHBondContact O-OG1 2.84Å |
| 1065 | E | 52.2 | Low | 49.4 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.9 | -32.8 | -178.7 | -152.7 | -163.9 | 161.7 | 0 | 0 | 112.8 | T1063 T1068 K1069 | T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 3Å; E1065-T1068 WeakPolarHBondContact CA-OG1 3.15Å; E1065-T1068 PolarHBondContact O-N 2.85Å; E1065-T1068 PolarHBondContact O-OG1 3.21Å; E1065-K1069 WeakPolarHBondContact O-CB 3.19Å; E1065-K1069 WeakPolarHBondContact O-CG 3.34Å; E1065-K1069 PolarHBondContact O-N 3.46Å; E1065-K1069 WeakPolarHBondContact OE1-CE 2.96Å; E1065-K1069 IonicContact OE1-NZ 2.6Å; E1065-K1069 PolarHBondContact OE1-NZ 3.46Å; E1065-K1069 IonicContact OE2-NZ 3.1Å |
| 1066 | E | 53.6 | Low | 50 | Low | 83 Ų | 83 | 113.4 Ų | 113.4 | 39% | 0.388 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 176.8 | -67.5 | 169.7 | 107.7 | 0 | 0 | 110.9 | L1062 T1063 K1069 V1070 | L1062-E1066 HydrophobicContact CB-CB 4.22Å; T1063-E1066 WeakPolarHBondContact CB-OE2 3.27Å; T1063-E1066 PolarHBondContact N-OE2 3.22Å; T1063-E1066 PolarHBondContact O-N 3.35Å; T1063-E1066 WeakPolarHBondContact OG1-CG 3.49Å; T1063-E1066 PolarHBondContact OG1-OE2 2.95Å; E1066-K1069 PolarHBondContact O-N 3.39Å; E1066-V1070 WeakPolarHBondContact O-CG2 3.08Å; E1066-V1070 PolarHBondContact O-N 3.04Å |
| 1067 | R | 63.7 | Low | 50.1 | Low | 163 Ų | 163 | 111 Ų | 111 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.2 | -43 | 175.5 | -62.7 | 175.6 | -153.8 | -170.4 | 6.4 | 111.7 | L1062 T1063 V1070 S1071 | L1062-R1067 VanDerWaalsContact O-CZ 3.3Å; L1062-R1067 PolarHBondContact O-NE 2.92Å; L1062-R1067 PolarHBondContact O-NH2 3.49Å; T1063-R1067 WeakPolarHBondContact O-CG 3.37Å; T1063-R1067 PolarHBondContact O-N 2.88Å; R1067-V1070 PolarHBondContact O-N 3.45Å; R1067-S1071 WeakPolarHBondContact O-CB 3.27Å; R1067-S1071 PolarHBondContact O-N 2.88Å |
| 1068 | T | 51.1 | Low | 50.5 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.7 | -36 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | S1064 E1065 S1071 N1072 | S1064-T1068 PolarHBondContact O-N 3.43Å; S1064-T1068 PolarHBondContact O-OG1 2.84Å; E1065-T1068 WeakPolarHBondContact CA-OG1 3.15Å; E1065-T1068 PolarHBondContact O-N 2.85Å; E1065-T1068 PolarHBondContact O-OG1 3.21Å; T1068-S1071 PolarHBondContact O-N 3.34Å; T1068-N1072 PolarHBondContact O-N 3.17Å; T1068-N1072 PolarHBondContact O-ND2 3.2Å |
| 1069 | K | 48.7 | Very low | 50.6 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 41% | 0.409 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 172.1 | -76 | 171.1 | -176.5 | 163 | 0 | 112.6 | E1065 E1066 R1073 | E1065-K1069 WeakPolarHBondContact O-CB 3.19Å; E1065-K1069 WeakPolarHBondContact O-CG 3.34Å; E1065-K1069 PolarHBondContact O-N 3.46Å; E1065-K1069 WeakPolarHBondContact OE1-CE 2.96Å; E1065-K1069 IonicContact OE1-NZ 2.6Å; E1065-K1069 PolarHBondContact OE1-NZ 3.46Å; E1065-K1069 IonicContact OE2-NZ 3.1Å; E1066-K1069 PolarHBondContact O-N 3.39Å; K1069-R1073 PolarHBondContact O-N 3.32Å |
| 1070 | V | 61.7 | Low | 50.6 | Low | 87 Ų | 87 | 118 Ų | 118 | 53% | 0.527 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -41.4 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | E1066 R1067 R1073 K1074 | E1066-V1070 WeakPolarHBondContact O-CG2 3.08Å; E1066-V1070 PolarHBondContact O-N 3.04Å; R1067-V1070 PolarHBondContact O-N 3.45Å; V1070-R1073 PolarHBondContact O-N 3.07Å; V1070-K1074 PolarHBondContact O-N 2.98Å |
| 1071 | S | 49.3 | Very low | 50.3 | Low | 76 Ų | 76 | 119 Ų | 119 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63 | -46.8 | 178.5 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | R1067 T1068 R1073 K1074 L1075 | R1067-S1071 WeakPolarHBondContact O-CB 3.27Å; R1067-S1071 PolarHBondContact O-N 2.88Å; T1068-S1071 PolarHBondContact O-N 3.34Å; S1071-R1073 VanDerWaalsContact C-N 3.32Å; S1071-R1073 PolarHBondContact O-N 3.41Å; S1071-K1074 PolarHBondContact O-N 3.25Å; S1071-K1074 VanDerWaalsContact O-N 3.12Å; S1071-L1075 PolarHBondContact O-N 2.66Å; S1071-L1075 VanDerWaalsContact O-N 3.07Å |
| 1072 | N | 48.3 | Very low | 50.2 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.9 | -35.9 | 178 | -81.8 | -69.1 | 0 | 0 | 0 | 113.2 | T1068 L1075 L1076 | T1068-N1072 PolarHBondContact O-N 3.17Å; T1068-N1072 PolarHBondContact O-ND2 3.2Å; N1072-L1075 WeakPolarHBondContact O-CB 3.38Å; N1072-L1075 PolarHBondContact O-N 3.36Å; N1072-L1076 PolarHBondContact O-N 2.9Å; N1072-L1076 VanDerWaalsContact O-N 3.16Å |
| 1073 | R | 48.7 | Very low | 48.9 | Very low | 204 Ų | 204 | 121.7 Ų | 121.7 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 173.4 | -76.7 | -177.6 | 173.8 | 179.6 | -1.4 | 112.5 | K1069 V1070 S1071 L1075 | K1069-R1073 PolarHBondContact O-N 3.32Å; V1070-R1073 PolarHBondContact O-N 3.07Å; S1071-R1073 VanDerWaalsContact C-N 3.32Å; S1071-R1073 PolarHBondContact O-N 3.41Å; R1073-L1075 VanDerWaalsContact C-N 3.3Å; R1073-L1075 PolarHBondContact O-N 2.84Å |
| 1074 | K | 48.6 | Very low | 47.7 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.6 | -32.2 | 173.1 | -82.7 | -175.9 | 174.2 | 177.9 | 0 | 112.6 | V1070 S1071 | V1070-K1074 PolarHBondContact O-N 2.98Å; S1071-K1074 PolarHBondContact O-N 3.25Å; S1071-K1074 VanDerWaalsContact O-N 3.12Å |
| 1075 | L | 49.4 | Very low | 46.7 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 55% | 0.55 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.8 | -40 | 179.9 | -150.4 | 75 | 0 | 0 | 0 | 112.6 | S1071 N1072 R1073 R1078 K1079 | S1071-L1075 PolarHBondContact O-N 2.66Å; S1071-L1075 VanDerWaalsContact O-N 3.07Å; N1072-L1075 WeakPolarHBondContact O-CB 3.38Å; N1072-L1075 PolarHBondContact O-N 3.36Å; R1073-L1075 VanDerWaalsContact C-N 3.3Å; R1073-L1075 PolarHBondContact O-N 2.84Å; L1075-R1078 PolarHBondContact O-N 3.47Å; L1075-K1079 PolarHBondContact O-N 2.8Å |
| 1076 | L | 47 | Very low | 46.1 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.7 | -42 | 179.7 | -121.9 | 76.1 | 0 | 0 | 0 | 113 | N1072 R1078 K1079 C1080 | N1072-L1076 PolarHBondContact O-N 2.9Å; N1072-L1076 VanDerWaalsContact O-N 3.16Å; L1076-R1078 PolarHBondContact O-N 3.14Å; L1076-K1079 PolarHBondContact O-N 2.75Å; L1076-C1080 PolarHBondContact O-N 3.22Å |
| 1077 | V | 42.3 | Very low | 45.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -59.1 | -32.7 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1078 | R | 45.2 | Very low | 43.9 | Very low | 211 Ų | 211 | 130.8 Ų | 130.8 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.7 | -31.1 | 173.2 | -106.2 | 179.5 | 173.6 | 168.7 | -2.4 | 113.8 | L1075 L1076 | L1075-R1078 PolarHBondContact O-N 3.47Å; L1076-R1078 PolarHBondContact O-N 3.14Å |
| 1079 | K | 43.9 | Very low | 42.8 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 70% | 0.7 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -71.6 | -37.5 | 177.7 | -83.3 | -169.8 | 171.8 | -175.9 | 0 | 112.8 | L1075 L1076 M1081 K1082 | L1075-K1079 PolarHBondContact O-N 2.8Å; L1076-K1079 PolarHBondContact O-N 2.75Å; K1079-M1081 PolarHBondContact O-N 3.14Å; K1079-M1081 VanDerWaalsContact O-N 3.1Å; K1079-K1082 PolarHBondContact O-N 2.82Å; K1079-K1082 VanDerWaalsContact O-N 3.1Å |
| 1080 | C | 42.3 | Very low | 42 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10.6 | -179.4 | -66.5 | 0 | 0 | 0 | 0 | 114.9 | L1076 | L1076-C1080 PolarHBondContact O-N 3.22Š|
| 1081 | M | 45.3 | Very low | 40.7 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -2.8 | 174.2 | -65.3 | -122.7 | 69.2 | 0 | 0 | 114.2 | K1079 | K1079-M1081 PolarHBondContact O-N 3.14Å; K1079-M1081 VanDerWaalsContact O-N 3.1Å |
| 1082 | K | 42.8 | Very low | 39.8 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -111.2 | 39.6 | 179.7 | -154.8 | -179.1 | -179.4 | -176.2 | 0 | 112.3 | E608 K1079 | E608-K1082 IonicContact OE2-NZ 3.8Å; K1079-K1082 PolarHBondContact O-N 2.82Å; K1079-K1082 VanDerWaalsContact O-N 3.1Å |
| 1083 | G | 32 | Very low | 39 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | -125.5 | 111.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1084 | N | 35.9 | Very low | 38.4 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.7 | 177.3 | -72.1 | -14.8 | 0 | 0 | 0 | 110.7 | | |
| 1085 | C | 29 | Very low | 37.6 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 130.6 | 169.8 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1086 | P | 38.7 | Very low | 37.2 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 151 | 177.2 | 30.5 | -33.9 | 0 | 0 | 0 | 113 | | |
| 1087 | L | 41.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -43 | 141.9 | -178.3 | -64.7 | 155.2 | 0 | 0 | 0 | 116.3 | | |
| 1088 | T | 30.1 | Very low | 36.3 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | trans | -129.4 | 129 | 136.4 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1089 | C | 29.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -104.7 | 136.6 | 172.6 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1090 | S | 30.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -132.9 | 139.9 | 153.4 | 61.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1091 | S | 34.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | | | trans | -101.2 | 136.6 | -171.2 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1092 | A | 31 | Very low | 34.9 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | | | trans | -144.7 | 98.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1093 | H | 31.3 | Very low | 34.9 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | | | trans | 50.2 | 126.6 | 153 | -66.7 | -82 | 0 | 0 | 0 | 121.9 | | |
| 1094 | T | 35.2 | Very low | 35.1 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | | | trans | -70.1 | 136 | 164.1 | 39 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1095 | A | 33.5 | Very low | 34.9 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | | | trans | -139.8 | 118.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1096 | A | 39.3 | Very low | 35.1 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | | | trans | -95.7 | 133.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1097 | L | 35.9 | Very low | 34.8 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | | | trans | -139.7 | 158.5 | 165.3 | -100.6 | 173 | 0 | 0 | 0 | 111.4 | | |
| 1098 | Q | 34.9 | Very low | 35 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | | | trans | -95.6 | 147.6 | -150.6 | -63 | 170.4 | -14.2 | 0 | 0 | 114.6 | V1100 | Q1098-V1100 PolarHBondContact O-N 3.42Š|
| 1099 | H | 33.5 | Very low | 35.1 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 91% | 0.912 | 84% | 0.841 | S | S | * | * | | | trans | -66.6 | 118.9 | 165.1 | -73.8 | -71.8 | 0 | 0 | 0 | 111.4 | | |
| 1100 | V | 34.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 67% | 0.673 | 84% | 0.843 | S | S | * | * | | | trans | -111.8 | 111.4 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 110 | Q1098 | Q1098-V1100 PolarHBondContact O-N 3.42Š|
| 1101 | K | 42.4 | Very low | 35.7 | Very low | 205 Ų | 205 | 156.7 Ų | 156.7 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | | | trans | -77.4 | 127.4 | 173.8 | -64.3 | 172.1 | -178.8 | 170.7 | 0 | 110.2 | | |
| 1102 | R | 37.8 | Very low | 35.6 | Very low | 229 Ų | 229 | 154.7 Ų | 154.7 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | | | trans | -135.9 | 116.1 | 156.2 | -72.3 | -168.1 | 170.2 | 121.9 | 1.7 | 110.7 | | |
| 1103 | K | 43.6 | Very low | 36 | Very low | 202 Ų | 202 | 161.8 Ų | 161.8 | 88% | 0.878 | 85% | 0.851 | S | S | * | * | | | trans | -81.6 | 147.1 | 161.3 | -65.6 | -176.9 | 176.7 | -174.7 | 0 | 108.1 | | |
| 1104 | L | 34.4 | Very low | 36.3 | Very low | 172 Ų | 172 | 161.5 Ų | 161.5 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | | | trans | -133.7 | 144.7 | 159.2 | -90.9 | 169.1 | 0 | 0 | 0 | 109.7 | | |
| 1105 | C | 31.8 | Very low | 36.6 | Very low | 122 Ų | 122 | 162.6 Ų | 162.6 | 82% | 0.824 | 85% | 0.85 | S | S | * | * | | | trans | -104.7 | 156.9 | -178 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1106 | F | 34.5 | Very low | 36.6 | Very low | 201 Ų | 201 | 161.2 Ų | 161.2 | 88% | 0.882 | 85% | 0.845 | S | S | * | * | | | trans | -84.6 | 173.5 | 173.2 | -92.1 | -92.2 | 0 | 0 | 0 | 112.7 | | |
| 1107 | V | 32.9 | Very low | 36.7 | Very low | 134 Ų | 134 | 164 Ų | 164 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | | | trans | 79.5 | 144.8 | 164.1 | -171.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1108 | P | 44.7 | Very low | 37.1 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 71% | 0.714 | 84% | 0.841 | S | S | * | * | | | cis | -124.5 | 166.9 | -10.2 | 30 | -11.8 | 0 | 0 | 0 | 115.7 | | |
| 1109 | A | 32.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 161.5 Ų | 161.5 | 86% | 0.86 | 88% | 0.879 | S | S | * | * | | | trans | -142.6 | 155.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1110 | K | 34.8 | Very low | 37.8 | Very low | 196 Ų | 196 | 159.7 Ų | 159.7 | 85% | 0.852 | 88% | 0.878 | S | S | * | * | | | trans | -128.6 | 145.2 | -173 | -70 | 177.7 | -179.8 | 171.8 | 0 | 112.8 | | |
| 1111 | K | 37.2 | Very low | 38 | Very low | 212 Ų | 212 | 162.3 Ų | 162.3 | 92% | 0.922 | 89% | 0.889 | S | S | * | * | | | trans | 21.5 | 116.6 | 150.7 | -66.4 | -178 | 174.2 | 178.4 | 0 | 118.6 | | |
| 1112 | G | 32.8 | Very low | 37.8 | Very low | 79 Ų | 79 | 159.9 Ų | 159.9 | 81% | 0.814 | 89% | 0.888 | S | S | * | * | | | trans | -117.7 | 156.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1113 | R | 39 | Very low | 37.8 | Very low | 241 Ų | 241 | 155.8 Ų | 155.8 | 91% | 0.909 | 89% | 0.89 | S | S | * | * | | | trans | -133.4 | 133.2 | 175.1 | -76.4 | -176.4 | 176.1 | -179.4 | -1.7 | 110.6 | | |
| 1114 | Q | 37.4 | Very low | 37.4 | Very low | 184 Ų | 184 | 152.9 Ų | 152.9 | 86% | 0.86 | 89% | 0.891 | S | S | * | * | | | trans | -163.1 | 131.6 | 147.9 | -104.3 | 151.1 | -15.2 | 0 | 0 | 105.6 | | |
| 1115 | L | 41.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 89% | 0.89 | 89% | 0.89 | S | S | * | * | | | | 64.3 | 108 | 51.3 | -67.1 | 172.4 | 0 | 0 | 0 | 112.5 | | |
| 1116 | G | 34.7 | Very low | 38 | Very low | 74 Ų | 74 | 153.8 Ų | 153.8 | 76% | 0.763 | 90% | 0.895 | S | S | * | * | | | trans | 169 | 76.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1117 | L | 41.5 | Very low | 38.3 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 90% | 0.896 | S | S | * | * | | | trans | 29.7 | 119.6 | 141.2 | -69.4 | 162 | 0 | 0 | 0 | 121.3 | | |
| 1118 | T | 43.2 | Very low | 38.7 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 82% | 0.822 | 90% | 0.903 | S | S | * | * | | | trans | 36.3 | 119.3 | 133 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1119 | G | 46.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 100% | 1.588 | 92% | 0.92 | S | S | * | * | | | trans | -141.1 | 0 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |