| 1 | M | 38.8 | Very low | 35.7 | Very low | 240 Ų | 240 | 153.9 Ų | 153.9 | 100% | 1.182 | 83% | 0.827 | S | S | * | * | | | | 0 | 106.4 | 0 | -105.9 | 173.8 | 163.2 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 3.17Š|
| 2 | A | 34 | Very low | 36.3 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | trans | -81.5 | 103 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y4 | A2-Y4 PolarHBondContact O-N 3.04Š|
| 3 | I | 37 | Very low | 36.9 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -79.6 | 105.2 | 170.9 | -60.3 | 175.3 | 0 | 0 | 0 | 106.3 | M1 A5 | M1-I3 PolarHBondContact O-N 3.17Å; I3-A5 PolarHBondContact O-N 3.06Å |
| 4 | Y | 32.3 | Very low | 36.9 | Very low | 207 Ų | 207 | 149.8 Ų | 149.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -60.1 | 103.2 | 170.2 | -86.4 | -92.7 | 0 | 0 | 0 | 109.3 | A2 F6 | A2-Y4 PolarHBondContact O-N 3.04Å; Y4-F6 PolarHBondContact O-N 3.33Å |
| 5 | A | 34.2 | Very low | 37.1 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 110.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I3 | I3-A5 PolarHBondContact O-N 3.06Š|
| 6 | F | 32.5 | Very low | 37.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138 | 166.7 | -90 | -94.9 | 0 | 0 | 0 | 109.6 | Y4 A8 | Y4-F6 PolarHBondContact O-N 3.33Å; F6-A8 PolarHBondContact O-N 3.41Å |
| 7 | P | 34 | Very low | 37.9 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 117.7 | 178.8 | 25.2 | -31.5 | 0 | 0 | 0 | 110.4 | R9 | P7-R9 PolarHBondContact O-N 2.96Š|
| 8 | A | 39.4 | Very low | 37.6 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 127.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F6 L10 | F6-A8 PolarHBondContact O-N 3.41Å; A8-L10 PolarHBondContact O-N 3.27Å |
| 9 | R | 36.3 | Very low | 37.7 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -62.7 | 115.1 | 172.8 | -70.7 | 175.7 | 171.9 | 173.1 | -3.9 | 108.8 | P7 | P7-R9 PolarHBondContact O-N 2.96Š|
| 10 | L | 37.1 | Very low | 37.6 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | -60.7 | 129.3 | 168.5 | -72.3 | 167.6 | 0 | 0 | 0 | 109.1 | A8 L12 | A8-L10 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 3.2Å |
| 11 | P | 37.7 | Very low | 37.8 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -68.5 | 130.7 | 178.7 | 24.9 | -31.2 | 0 | 0 | 0 | 110.8 | K13 | P11-K13 PolarHBondContact O-N 2.91Š|
| 12 | L | 43 | Very low | 37.9 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 12.1 | -176.8 | -74.6 | 163.5 | 0 | 0 | 0 | 116.2 | L10 L15 | L10-L12 PolarHBondContact O-N 3.2Å; L12-L15 HydrophobicContact CD2-CD2 4.24Å |
| 13 | K | 43.4 | Very low | 38.3 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -21.6 | 176.1 | -70.5 | -175.4 | 178.4 | 179.4 | 0 | 113.1 | P11 | P11-K13 PolarHBondContact O-N 2.91Š|
| 14 | S | 37.3 | Very low | 38.4 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -15.7 | 176 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 15 | L | 39.3 | Very low | 38.6 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 61% | 0.613 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -27.4 | 179.2 | -153.8 | 75.5 | 0 | 0 | 0 | 112.4 | L12 I17 W18 | L12-L15 HydrophobicContact CD2-CD2 4.24Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.49Å; L15-W18 PolarHBondContact O-N 3.31Å |
| 16 | L | 42.1 | Very low | 38.8 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 62% | 0.618 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.1 | -176.8 | -88 | 154.8 | 0 | 0 | 0 | 114.9 | | |
| 17 | I | 45.8 | Very low | 39 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -27.1 | 175.5 | -60.9 | 175.5 | 0 | 0 | 0 | 110.6 | L15 | L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.49Å |
| 18 | W | 32.9 | Very low | 39 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77.7 | -22.9 | -177.6 | -114.8 | 61.6 | 0 | 0 | 0 | 114.4 | L15 | L15-W18 PolarHBondContact O-N 3.31Å |
| 19 | E | 38.9 | Very low | 38.7 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -83.1 | -19.1 | 179 | -76.3 | -171.8 | 153.3 | 0 | 0 | 114 | | |
| 20 | R | 36.5 | Very low | 38.5 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -80.5 | -24.2 | -179.2 | -84.4 | -173.5 | 173.4 | 160.8 | -0.6 | 114.3 | | |
| 21 | E | 41.1 | Very low | 38.1 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -78 | -26.1 | 180 | -74.3 | -177.8 | 163.2 | 0 | 0 | 113 | T23 | E21-T23 PolarHBondContact O-N 3.37Å |
| 22 | L | 40.9 | Very low | 37.6 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -80.3 | -13.2 | -179 | -79.7 | 165.9 | 0 | 0 | 0 | 114.8 | | |
| 23 | T | 42.3 | Very low | 37 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -100.7 | -8.8 | 179.9 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | E21 | E21-T23 PolarHBondContact O-N 3.37Š|
| 24 | A | 40.5 | Very low | 36.1 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -88.3 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 25 | E | 35.9 | Very low | 35.9 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -90.8 | -6.2 | -175.5 | -149.5 | 178.4 | -172.6 | 0 | 0 | 114 | | |
| 26 | K | 39 | Very low | 35.3 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.4 | -3.7 | -170.9 | -120.7 | 177.7 | -178.2 | 177.8 | 0 | 116.8 | | |
| 27 | D | 36.6 | Very low | 34.4 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107 | 14.6 | -174.1 | -76.3 | -12.8 | 0 | 0 | 0 | 115.5 | | |
| 28 | N | 32.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -114.1 | 34.1 | -179.4 | -81.3 | -27 | 0 | 0 | 0 | 116 | | |
| 29 | Y | 34 | Very low | 33.2 | Very low | 230 Ų | 230 | 150.6 Ų | 150.6 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | trans | -136.4 | 58.8 | 165.4 | -75.5 | -79.2 | 0 | 0 | 0 | 112.9 | G31 | Y29-G31 VanDerWaalsContact C-N 3.29Å; Y29-G31 PolarHBondContact O-N 3.16Å |
| 30 | T | 32.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -80 | 79.8 | 152.3 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 31 | G | 29 | Very low | 32.5 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -100.1 | 102.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y29 V33 | Y29-G31 VanDerWaalsContact C-N 3.29Å; Y29-G31 PolarHBondContact O-N 3.16Å; G31-V33 PolarHBondContact O-N 2.97Å |
| 32 | R | 25.5 | Very low | 32.1 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -55.9 | 123.7 | 175.2 | -67.7 | 178.4 | 178 | -166.5 | -0.3 | 111.2 | | |
| 33 | V | 30.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -134.2 | 93.1 | 149.3 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | G31 L35 | G31-V33 PolarHBondContact O-N 2.97Å; V33-L35 HydrophobicContact CG1-CD1 3.77Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; V33-L35 PolarHBondContact O-N 3.3Å |
| 34 | N | 25.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -75.3 | 107.1 | 161.2 | -80.5 | -33.2 | 0 | 0 | 0 | 107.1 | | |
| 35 | L | 33 | Very low | 30.9 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | -113.3 | 97.6 | 161 | -101.2 | 147.6 | 0 | 0 | 0 | 107.3 | V33 | V33-L35 HydrophobicContact CG1-CD1 3.77Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; V33-L35 PolarHBondContact O-N 3.3Å |
| 36 | E | 25.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 159.8 Ų | 159.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -64 | 133 | 168.2 | -68.5 | -173.8 | 130.8 | 0 | 0 | 110.5 | | |
| 37 | R | 23.6 | Very low | 30.6 | Very low | 219 Ų | 219 | 157 Ų | 157 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 46.5 | 137 | 138.7 | -77.6 | -175 | -175.1 | 171 | 5.4 | 119.7 | | |
| 38 | P | 25.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 161.6 Ų | 161.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | | -138.8 | 142.2 | 65.3 | 31.8 | -12.4 | 0 | 0 | 0 | 116.3 | V40 | P38-V40 PolarHBondContact O-N 3.29Š|
| 39 | V | 28.5 | Very low | 30.5 | Very low | 113 Ų | 113 | 163 Ų | 163 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | | | trans | -77.7 | 101.9 | 169.6 | 175.3 | 0 | 0 | 0 | 0 | 108 | K41 | V39-K41 HydrophobicContact CG1-CG 4.2Å; V39-K41 PolarHBondContact O-N 3.43Å |
| 40 | V | 31.7 | Very low | 30.3 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 106.8 | 166.3 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | P38 S42 | P38-V40 PolarHBondContact O-N 3.29Å; V40-S42 PolarHBondContact O-N 3.19Å |
| 41 | K | 29.6 | Very low | 30.4 | Very low | 189 Ų | 189 | 158 Ų | 158 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -78.9 | 95 | 166.3 | -67.5 | 178.5 | 178.1 | 178.4 | 0 | 107.8 | V39 | V39-K41 HydrophobicContact CG1-CG 4.2Å; V39-K41 PolarHBondContact O-N 3.43Å |
| 42 | S | 33.1 | Very low | 30.5 | Very low | 97 Ų | 97 | 162.6 Ų | 162.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | | | trans | -88.6 | 137.1 | 170.6 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | V40 E44 | V40-S42 PolarHBondContact O-N 3.19Å; S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 VanDerWaalsContact O-N 3.13Å |
| 43 | K | 33.2 | Very low | 30.5 | Very low | 212 Ų | 212 | 162.1 Ų | 162.1 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -69.2 | 90 | -173.5 | -67.7 | 169.8 | 169 | 179.2 | 0 | 112.7 | | |
| 44 | E | 32.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 164 Ų | 164 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | | | trans | -124.8 | -1 | 170.2 | -117.4 | 173.1 | 176.1 | 0 | 0 | 114.1 | S42 | S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 VanDerWaalsContact O-N 3.13Å |
| 45 | E | 31.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 167.9 Ų | 167.9 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -97.5 | 8.2 | -173.3 | -144.6 | 174.3 | -176.1 | 0 | 0 | 114.9 | | |
| 46 | E | 32.6 | Very low | 30.5 | Very low | 179 Ų | 179 | 167.3 Ų | 167.3 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -117.3 | 7.8 | -172.6 | -140.1 | 173.1 | -165 | 0 | 0 | 116.5 | | |
| 47 | V | 35.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 165.3 Ų | 165.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -108.8 | -0.6 | -176.1 | -174.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 48 | W | 32.8 | Very low | 31 | Very low | 237 Ų | 237 | 160.8 Ų | 160.8 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -100 | 10.1 | -177.2 | -74.2 | 93.6 | 0 | 0 | 0 | 116.2 | | |
| 49 | N | 34.9 | Very low | 31.5 | Very low | 164 Ų | 164 | 162.4 Ų | 162.4 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -115.4 | 16.5 | -178.9 | -85.1 | -27.8 | 0 | 0 | 0 | 115.9 | | |
| 50 | S | 30.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 165.7 Ų | 165.7 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -139 | 56.2 | -174.7 | -55 | 0 | 0 | 0 | 0 | 113.6 | | |
| 51 | D | 34.2 | Very low | 31 | Very low | 170 Ų | 170 | 171.2 Ų | 171.2 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -155.2 | 46.8 | 164.5 | -97.2 | -25.6 | 0 | 0 | 0 | 112.9 | | |
| 52 | N | 29.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 171 Ų | 171 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -126.1 | 51.4 | 178.3 | -137.3 | 10 | 0 | 0 | 0 | 111.6 | | |
| 53 | R | 27 | Very low | 30.6 | Very low | 222 Ų | 222 | 171.5 Ų | 171.5 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -149.3 | 129.8 | 163.7 | -62 | -170.1 | -169.7 | -176.1 | 5.1 | 110.6 | | |
| 54 | H | 28.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 167.3 Ų | 167.3 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | | | trans | 81.5 | 79 | 165.6 | -54.4 | -64.6 | 0 | 0 | 0 | 118.8 | | |
| 55 | R | 31.5 | Very low | 30.3 | Very low | 230 Ų | 230 | 166.1 Ų | 166.1 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | trans | -137.9 | 72.5 | 132.3 | -74 | -161.6 | 177.6 | 166.3 | 1 | 110.3 | L57 | R55-L57 PolarHBondContact O-N 3.41Š|
| 56 | D | 28.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 160.4 Ų | 160.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -69.6 | 77.6 | 156 | -72.2 | -44 | 0 | 0 | 0 | 108.6 | V58 | D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.38Å |
| 57 | L | 34 | Very low | 30 | Very low | 133 Ų | 133 | 160.2 Ų | 160.2 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -86.3 | 83.3 | 166.2 | -92.5 | 158.1 | 0 | 0 | 0 | 108.5 | R55 I59 | R55-L57 PolarHBondContact O-N 3.41Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.29Å |
| 58 | V | 26 | Very low | 29.7 | Very low | 124 Ų | 124 | 162 Ų | 162 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -67.1 | 87.7 | 164.8 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | D56 K60 | D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.38Å; V58-K60 PolarHBondContact O-N 3.31Å |
| 59 | I | 35.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 161.3 Ų | 161.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -87.3 | 105.5 | 165 | -61.5 | 179.8 | 0 | 0 | 0 | 108 | L57 | L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.29Å |
| 60 | K | 27.3 | Very low | 29.6 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -58.3 | 132.1 | 171.2 | -99.2 | 171 | 169.7 | 173.6 | 0 | 111.6 | V58 | V58-K60 PolarHBondContact O-N 3.31Š|
| 61 | R | 23.4 | Very low | 29.8 | Very low | 238 Ų | 238 | 159.4 Ų | 159.4 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | 5.3 | 135.5 | 148.2 | -63.3 | 178.9 | 172.4 | 157.8 | -1.7 | 118.7 | | |
| 62 | Q | 27.5 | Very low | 29.7 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | | -157.5 | 132.5 | 122.1 | -94.8 | -85.8 | -18 | 0 | 0 | 108.7 | | |
| 63 | P | 25.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 153.6 Ų | 153.6 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | -92.9 | 110.5 | -173.4 | 33.9 | -27.5 | 0 | 0 | 0 | 111.5 | | |
| 64 | S | 31.3 | Very low | 30.7 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | trans | -89.9 | 112.3 | 166.9 | 57 | 0 | 0 | 0 | 0 | 110.1 | | |
| 65 | I | 28.7 | Very low | 31 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | -68.7 | 136.6 | 177.1 | -67.8 | 158.6 | 0 | 0 | 0 | 110.3 | | |
| 66 | S | 28.3 | Very low | 31.5 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | | | trans | 36.4 | 121 | 158.9 | 70.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 67 | H | 29 | Very low | 32.3 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | | -155.1 | 71.4 | 77.1 | -70.8 | -56.8 | 0 | 0 | 0 | 111.8 | R69 | H67-R69 VanDerWaalsContact C-N 3.26Å; H67-R69 PolarHBondContact O-N 3.23Å |
| 68 | N | 30 | Very low | 32.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | | | trans | -82.5 | 81.3 | 163.9 | -74.9 | -18.6 | 0 | 0 | 0 | 108.8 | P70 | N68-P70 WeakPolarHBondContact O-CD 3.48Š|
| 69 | R | 29.4 | Very low | 33.4 | Very low | 221 Ų | 221 | 134.6 Ų | 134.6 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | | | trans | -55.6 | 122.6 | 151.7 | -167.1 | 179.1 | -164.1 | -174 | 4.9 | 104.8 | H67 V71 | H67-R69 VanDerWaalsContact C-N 3.26Å; H67-R69 PolarHBondContact O-N 3.23Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.47Å |
| 70 | P | 35.1 | Very low | 33.9 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | | | trans | -60 | 104.2 | 175.8 | 22.9 | -30.3 | 0 | 0 | 0 | 106.5 | N68 S72 | N68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-S72 PolarHBondContact O-N 3.41Å |
| 71 | V | 35 | Very low | 34.8 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | | | trans | -65.3 | 88.2 | 160.9 | 177.4 | 0 | 0 | 0 | 0 | 103.2 | R69 H73 | R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.47Å; V71-H73 PolarHBondContact O-CD2 3.43Å; V71-H73 VanDerWaalsContact O-CD2 3.27Å; V71-H73 PolarHBondContact O-N 3.31Å |
| 72 | S | 31.7 | Very low | 35.7 | Very low | 59 Ų | 59 | 124.5 Ų | 124.5 | 41% | 0.413 | 66% | 0.656 | S | S | . | * | | | trans | -60.5 | 92.8 | 173.4 | 155.3 | 0 | 0 | 0 | 0 | 106 | P70 F74 S75 | P70-S72 PolarHBondContact O-N 3.41Å; S72-F74 PolarHBondContact O-N 3.47Å; S72-F74 WeakPolarHBondContact OG-CB 3.47Å; S72-F74 PolarHBondContact OG-N 3.26Å; S72-S75 PolarHBondContact O-N 3.17Å; S72-S75 PolarHBondContact O-OG 3.47Å |
| 73 | H | 39.7 | Very low | 36.7 | Very low | 153 Ų | 153 | 124 Ų | 124 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 7.2 | 164.6 | -66 | -77.1 | 0 | 0 | 0 | 112.1 | V71 S75 T76 | V71-H73 PolarHBondContact O-CD2 3.43Å; V71-H73 VanDerWaalsContact O-CD2 3.27Å; V71-H73 PolarHBondContact O-N 3.31Å; H73-S75 VanDerWaalsContact C-N 3.26Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-T76 PolarHBondContact O-OG1 3.09Å |
| 74 | F | 38.6 | Very low | 37.8 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.2 | 169.6 | -60.5 | -85.2 | 0 | 0 | 0 | 114.1 | S72 | S72-F74 PolarHBondContact O-N 3.47Å; S72-F74 WeakPolarHBondContact OG-CB 3.47Å; S72-F74 PolarHBondContact OG-N 3.26Å |
| 75 | S | 35.9 | Very low | 38.1 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 46% | 0.462 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -79.9 | -28.4 | -179.4 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | S72 H73 Q79 | S72-S75 PolarHBondContact O-N 3.17Å; S72-S75 PolarHBondContact O-OG 3.47Å; H73-S75 VanDerWaalsContact C-N 3.26Å; H73-S75 PolarHBondContact O-N 3.23Å; S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3.14Å |
| 76 | T | 42 | Very low | 38.6 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.6 | -36.8 | -177 | 29.8 | 0 | 0 | 0 | 0 | 113.1 | H73 Q79 L80 | H73-T76 PolarHBondContact O-OG1 3.09Å; T76-Q79 PolarHBondContact O-N 2.8Å; T76-L80 WeakPolarHBondContact O-CG 3.1Å; T76-L80 PolarHBondContact O-N 3.31Å |
| 77 | V | 44.4 | Very low | 38.8 | Very low | 99 Ų | 99 | 126 Ų | 126 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.6 | -35.9 | -178.4 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 78 | S | 42.8 | Very low | 39.2 | Very low | 62 Ų | 62 | 122.3 Ų | 122.3 | 43% | 0.434 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -75.5 | -28.3 | 175.4 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 79 | Q | 41.2 | Very low | 39.6 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.5 | -36.2 | 176.3 | -75.4 | -172.6 | 1.8 | 0 | 0 | 112.5 | S75 T76 S81 R82 | S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3.14Å; T76-Q79 PolarHBondContact O-N 2.8Å; Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.07Å; Q79-R82 PolarHBondContact O-N 2.85Å |
| 80 | L | 44.3 | Very low | 39.8 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.5 | -25.7 | 176.1 | -73.9 | 167 | 0 | 0 | 0 | 113.2 | T76 | T76-L80 WeakPolarHBondContact O-CG 3.1Å; T76-L80 PolarHBondContact O-N 3.31Å |
| 81 | S | 47.2 | Very low | 39.9 | Very low | 19 Ų | 19 | 118.9 Ų | 118.9 | 13% | 0.133 | 63% | 0.633 | C | S | . | * | H | α-helix | trans | -66.7 | -35.6 | 173.4 | 137.2 | 0 | 0 | 0 | 0 | 112.3 | Q79 G85 L86 | Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.07Å; S81-G85 PolarHBondContact O-N 2.68Å; S81-L86 PolarHBondContact O-N 3.36Å; S81-L86 PolarHBondContact OG-O 3.38Å |
| 82 | R | 42.9 | Very low | 39.8 | Very low | 219 Ų | 219 | 119.6 Ų | 119.6 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.1 | -35.3 | -179.2 | -70 | -170.8 | 176.5 | -165.1 | -1.2 | 113.3 | Q79 R84 | Q79-R82 PolarHBondContact O-N 2.85Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.96Å |
| 83 | H | 47.3 | Very low | 39.7 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.6 | -19.5 | 179.5 | -80.2 | -68.8 | 0 | 0 | 0 | 114.2 | | |
| 84 | R | 50.3 | Low | 39.2 | Very low | 209 Ų | 209 | 119.1 Ų | 119.1 | 79% | 0.789 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 9.1 | -178.8 | -70.7 | -170.8 | 177.1 | 178.3 | 0.4 | 114.5 | R82 L86 | R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.96Å; R84-L86 HydrophobicContact CB-CD1 4.39Å; R84-L86 HydrophobicContact CB-CG 4.41Å; R84-L86 PolarHBondContact O-N 3.44Å |
| 85 | G | 37 | Very low | 38.8 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 23.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S81 | S81-G85 PolarHBondContact O-N 2.68Š|
| 86 | L | 38.4 | Very low | 38.4 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 58% | 0.576 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 139.7 | 178.8 | -67.1 | 172.7 | 0 | 0 | 0 | 110.2 | S81 R84 | S81-L86 PolarHBondContact O-N 3.36Å; S81-L86 PolarHBondContact OG-O 3.38Å; R84-L86 HydrophobicContact CB-CD1 4.39Å; R84-L86 HydrophobicContact CB-CG 4.41Å; R84-L86 PolarHBondContact O-N 3.44Å |
| 87 | P | 32.3 | Very low | 37.9 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 143.3 | -177.6 | 24.2 | -32.8 | 0 | 0 | 0 | 111.9 | M89 | P87-M89 PolarHBondContact O-N 2.67Š|
| 88 | P | 37.5 | Very low | 37 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.6 | -177.1 | 26.7 | -33.5 | 0 | 0 | 0 | 111.2 | I90 | P88-I90 PolarHBondContact O-N 3.27Š|
| 89 | M | 38.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | -82.5 | 113.6 | -178.1 | -158.5 | -175.7 | -58.2 | 0 | 0 | 110.1 | P87 | P87-M89 PolarHBondContact O-N 2.67Š|
| 90 | I | 33.3 | Very low | 35.5 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -95.7 | 114.5 | 176 | -58.8 | 173.2 | 0 | 0 | 0 | 108.4 | P88 | P88-I90 PolarHBondContact O-N 3.27Š|
| 91 | V | 37.9 | Very low | 34.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 120.7 | 175 | -179.5 | 0 | 0 | 0 | 0 | 109 | | |
| 92 | V | 31.9 | Very low | 33.8 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 123.8 | -178.8 | -179 | 0 | 0 | 0 | 0 | 110.6 | | |
| 93 | P | 31.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 122 | 173.8 | 7.3 | 10.5 | 0 | 0 | 0 | 111 | | |
| 94 | G | 28.2 | Very low | 32.4 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 168.1 | 93.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 95 | S | 31.4 | Very low | 32 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -163.8 | 80.2 | 145.6 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 96 | S | 27.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -89.8 | 106.6 | 174.2 | 56.3 | 0 | 0 | 0 | 0 | 110 | | |
| 97 | T | 29.8 | Very low | 31.7 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -108.7 | 102.3 | 157.2 | 51.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 98 | V | 27 | Very low | 31.6 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 143.7 | 162.9 | 179.4 | 0 | 0 | 0 | 0 | 107 | | |
| 99 | A | 24.5 | Very low | 31.3 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | cis | -157.1 | 143.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 100 | D | 27.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | | -143.2 | 131.1 | 128.7 | -151.8 | -9.3 | 0 | 0 | 0 | 109.4 | S102 | D100-S102 PolarHBondContact O-N 3.42Š|
| 101 | R | 27.9 | Very low | 31.1 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -93.1 | 89.7 | -166.5 | -70.5 | 176.9 | 172.1 | -177.4 | -1.9 | 108.8 | | |
| 102 | S | 28.2 | Very low | 30.9 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -167.2 | 128.5 | 149.5 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | D100 | D100-S102 PolarHBondContact O-N 3.42Š|
| 103 | S | 30.6 | Very low | 30.8 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 63.6 | 81.1 | 158.3 | -162.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 104 | G | 30.4 | Very low | 31.2 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | 63.9 | 147.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | R106 | G104-R106 PolarHBondContact O-N 3.08Š|
| 105 | P | 40.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -72 | 82.4 | 170.9 | 31.6 | -31.8 | 0 | 0 | 0 | 108.4 | K107 | P105-K107 PolarHBondContact O-N 2.99Š|
| 106 | R | 33.7 | Very low | 31.8 | Very low | 224 Ų | 224 | 133.2 Ų | 133.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | -56.2 | 125.1 | 156.3 | -80.8 | -177.3 | 157.7 | 178.4 | -5.2 | 105.6 | G104 S108 | G104-R106 PolarHBondContact O-N 3.08Å; R106-S108 PolarHBondContact O-N 3.3Å |
| 107 | K | 36 | Very low | 32.2 | Very low | 210 Ų | 210 | 132 Ų | 132 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | | | trans | -61.5 | 64.7 | 172.2 | -61 | 175.2 | -179.5 | 179.7 | 0 | 109.4 | P105 T109 | P105-K107 PolarHBondContact O-N 2.99Å; K107-T109 VanDerWaalsContact C-N 3.3Å; K107-T109 PolarHBondContact O-N 3.36Å; K107-T109 VanDerWaalsContact O-N 3.09Å |
| 108 | S | 29.6 | Very low | 32.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | -77.8 | 94.3 | 166.7 | 60.6 | 0 | 0 | 0 | 0 | 105.3 | R106 L110 | R106-S108 PolarHBondContact O-N 3.3Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.94Å |
| 109 | T | 30.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -44.7 | 106.8 | 154.2 | 32.1 | 0 | 0 | 0 | 0 | 107.1 | K107 R111 | K107-T109 VanDerWaalsContact C-N 3.3Å; K107-T109 PolarHBondContact O-N 3.36Å; K107-T109 VanDerWaalsContact O-N 3.09Å; T109-R111 PolarHBondContact O-N 3.14Å |
| 110 | L | 36.5 | Very low | 33.2 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -64.7 | 95.3 | 173.6 | -157.2 | 139.1 | 0 | 0 | 0 | 104.8 | S108 I112 | S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.94Å; L110-I112 HydrophobicContact CD2-CD1 4.45Å; L110-I112 HydrophobicContact CD2-CG1 3.68Å; L110-I112 PolarHBondContact O-N 3.41Å |
| 111 | R | 31.5 | Very low | 33.8 | Very low | 231 Ų | 231 | 133.6 Ų | 133.6 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | -67.6 | 88.6 | 176.2 | -73.2 | -172.1 | 179.9 | 173.9 | 0.2 | 106.6 | T109 S113 | T109-R111 PolarHBondContact O-N 3.14Å; R111-S113 PolarHBondContact O-N 2.9Å |
| 112 | I | 34.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 65% | 0.646 | 73% | 0.73 | S | S | * | * | | | trans | -67.2 | 94.9 | 164 | -54.7 | 174.2 | 0 | 0 | 0 | 104.7 | L110 | L110-I112 HydrophobicContact CD2-CD1 4.45Å; L110-I112 HydrophobicContact CD2-CG1 3.68Å; L110-I112 PolarHBondContact O-N 3.41Å |
| 113 | S | 29.6 | Very low | 34.4 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 48% | 0.476 | 74% | 0.739 | S | S | . | * | | | trans | -57.4 | 141.1 | 169 | 73.7 | 0 | 0 | 0 | 0 | 108 | R111 N115 S116 | R111-S113 PolarHBondContact O-N 2.9Å; S113-N115 PolarHBondContact O-N 3.03Å; S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.34Å; S113-S116 PolarHBondContact O-N 3.17Å |
| 114 | P | 40 | Very low | 34.5 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -7.8 | 179.8 | 20.9 | -30.4 | 0 | 0 | 0 | 113.9 | S116 | P114-S116 VanDerWaalsContact C-N 3.33Š|
| 115 | N | 34.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 0.2 | 170.5 | -70.9 | -6.8 | 0 | 0 | 0 | 113.9 | S113 A117 | S113-N115 PolarHBondContact O-N 3.03Å; N115-A117 PolarHBondContact O-N 3.13Å |
| 116 | S | 36.6 | Very low | 34.7 | Very low | 45 Ų | 45 | 147.2 Ų | 147.2 | 32% | 0.315 | 74% | 0.744 | S | S | . | * | G | 310 helix | trans | -83.2 | 15.2 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 114 | S113 P114 F118 S119 | S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.34Å; S113-S116 PolarHBondContact O-N 3.17Å; P114-S116 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.44Å; S116-S119 PolarHBondContact OG-OG 3.01Å |
| 117 | A | 37.6 | Very low | 34.8 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -64.3 | -12.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N115 | N115-A117 PolarHBondContact O-N 3.13Š|
| 118 | F | 39.1 | Very low | 34.9 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -120.5 | 32.9 | 178.5 | -61.5 | -77.1 | 0 | 0 | 0 | 113.4 | S116 P120 | S116-F118 PolarHBondContact O-N 3.44Å; F118-P120 WeakPolarHBondContact O-CD 3.5Å; F118-P120 VanDerWaalsContact O-N 3.17Å |
| 119 | S | 31.1 | Very low | 35.3 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 52% | 0.517 | 72% | 0.722 | S | S | . | * | | | trans | -65.4 | 113 | 157.8 | -77.6 | 0 | 0 | 0 | 0 | 106.6 | S116 I121 | S116-S119 PolarHBondContact OG-OG 3.01Å; S119-I121 PolarHBondContact O-N 3.32Å |
| 120 | P | 30.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -63.1 | 109.9 | 180 | -12 | 26.9 | 0 | 0 | 0 | 106 | F118 R122 | F118-P120 WeakPolarHBondContact O-CD 3.5Å; F118-P120 VanDerWaalsContact O-N 3.17Å; P120-R122 PolarHBondContact O-N 2.93Å |
| 121 | I | 40.9 | Very low | 36 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | | | trans | -51.1 | 113.5 | 166.3 | -65.9 | 168.7 | 0 | 0 | 0 | 104.4 | S119 R123 | S119-I121 PolarHBondContact O-N 3.32Å; I121-R123 PolarHBondContact O-N 2.89Å |
| 122 | R | 36.7 | Very low | 36.4 | Very low | 219 Ų | 219 | 132.6 Ų | 132.6 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | | | trans | -45.9 | 137.3 | 179 | -86.7 | 177.7 | 172.7 | 165.7 | -2.7 | 107.5 | P120 E124 | P120-R122 PolarHBondContact O-N 2.93Å; R122-E124 PolarHBondContact O-N 3.14Å |
| 123 | R | 33 | Very low | 36.7 | Very low | 251 Ų | 251 | 132.5 Ų | 132.5 | 95% | 0.947 | 70% | 0.698 | S | S | * | * | | | trans | -57.9 | 81.3 | 174 | -66.7 | -179.8 | 178.6 | 175.1 | -2.4 | 109.4 | I121 S125 | I121-R123 PolarHBondContact O-N 2.89Å; R123-S125 PolarHBondContact O-N 3.3Å |
| 124 | E | 32.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | | | trans | -81.3 | 101.7 | 161.7 | -62.7 | -155 | -164.2 | 0 | 0 | 105.8 | R122 K126 | R122-E124 PolarHBondContact O-N 3.14Å; E124-K126 PolarHBondContact O-N 3.43Å |
| 125 | S | 38.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | | | trans | -69.4 | 78.1 | 172.2 | 49 | 0 | 0 | 0 | 0 | 109.4 | R123 | R123-S125 PolarHBondContact O-N 3.3Š|
| 126 | K | 37 | Very low | 37.9 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -140.2 | 125.3 | 155.6 | -68.1 | -173 | -178.7 | 175 | 0 | 105.8 | E124 N128 | E124-K126 PolarHBondContact O-N 3.43Å; K126-N128 PolarHBondContact O-N 3.47Å |
| 127 | S | 35.3 | Very low | 38.4 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | -40.9 | 99.5 | 173.7 | 44.5 | 0 | 0 | 0 | 0 | 110.4 | D129 | S127-D129 PolarHBondContact O-N 2.98Š|
| 128 | N | 37.6 | Very low | 39.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | | | trans | -78 | 91.5 | 160.4 | -76.3 | -34.4 | 0 | 0 | 0 | 105 | K126 W130 | K126-N128 PolarHBondContact O-N 3.47Å; N128-W130 HydrophobicContact CB-CD2 4.44Å; N128-W130 HydrophobicContact CB-CG 4.39Å; N128-W130 HydrophobicContact CB-CZ2 4.15Å; N128-W130 PolarHBondContact O-N 3.32Å |
| 129 | D | 38.3 | Very low | 39.4 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | | | trans | -67.3 | 72.6 | 171.3 | -66.5 | -34.5 | 0 | 0 | 0 | 108.8 | S127 | S127-D129 PolarHBondContact O-N 2.98Š|
| 130 | W | 41.7 | Very low | 39.8 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -92.4 | 33.3 | 158.5 | 22.3 | -107 | 0 | 0 | 0 | 111 | N128 V132 | N128-W130 HydrophobicContact CB-CD2 4.44Å; N128-W130 HydrophobicContact CB-CG 4.39Å; N128-W130 HydrophobicContact CB-CZ2 4.15Å; N128-W130 PolarHBondContact O-N 3.32Å; W130-V132 PolarHBondContact O-N 2.86Å |
| 131 | T | 39.4 | Very low | 40.3 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | | | trans | -63.9 | 87.2 | 150.5 | 27.3 | 0 | 0 | 0 | 0 | 107.9 | N133 | T131-N133 PolarHBondContact O-N 3.31Å; T131-N133 VanDerWaalsContact O-N 3.15Å |
| 132 | V | 40.9 | Very low | 40.5 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 40% | 0.4 | 70% | 0.703 | S | S | . | * | | | trans | -65.9 | 109.6 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | W130 H136 F139 | W130-V132 PolarHBondContact O-N 2.86Å; V132-H136 HydrophobicContact CG1-CB 3.43Å; V132-H136 VanDerWaalsContact CG1-CB 3.43Å; V132-F139 HydrophobicContact CB-CE2 4.08Å; V132-F139 HydrophobicContact CG1-CD2 4.08Å; V132-F139 HydrophobicContact CG1-CE2 3.67Å |
| 133 | N | 40.7 | Very low | 40.7 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | | | trans | -59.2 | 137.1 | 179.2 | -76.2 | -29.7 | 0 | 0 | 0 | 110.5 | T131 G135 H136 | T131-N133 PolarHBondContact O-N 3.31Å; T131-N133 VanDerWaalsContact O-N 3.15Å; N133-G135 PolarHBondContact O-N 3.4Å; N133-H136 PolarHBondContact O-N 3.01Å |
| 134 | P | 43.4 | Very low | 41.4 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 108.2 | 172 | 24.4 | -30.3 | 0 | 0 | 0 | 108.3 | | |
| 135 | G | 44.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.8 | -11.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N133 | N133-G135 PolarHBondContact O-N 3.4Š|
| 136 | H | 40.6 | Very low | 42.1 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 43% | 0.426 | 69% | 0.692 | S | S | . | * | | | trans | -69.5 | 130.1 | 169.6 | -157.9 | -74.4 | 0 | 0 | 0 | 109.7 | V132 N133 L138 F139 | V132-H136 HydrophobicContact CG1-CB 3.43Å; V132-H136 VanDerWaalsContact CG1-CB 3.43Å; N133-H136 PolarHBondContact O-N 3.01Å; H136-L138 WeakPolarHBondContact ND1-CG 3.3Å; H136-L138 PolarHBondContact O-N 3.32Å; H136-F139 PolarHBondContact O-N 3.49Å |
| 137 | P | 48.3 | Very low | 42.7 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 8.1 | -176.2 | 26 | -35.6 | 0 | 0 | 0 | 114.8 | F139 | P137-F139 VanDerWaalsContact C-N 3.32Š|
| 138 | L | 52.9 | Low | 43.2 | Very low | 137 Ų | 137 | 125 Ų | 125 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -17 | 166.6 | -70.3 | 172.7 | 0 | 0 | 0 | 112.2 | H136 | H136-L138 WeakPolarHBondContact ND1-CG 3.3Å; H136-L138 PolarHBondContact O-N 3.32Å |
| 139 | F | 44.6 | Very low | 43.8 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -97.2 | -11.9 | 175.3 | -77.8 | -70.6 | 0 | 0 | 0 | 113.8 | V132 H136 P137 P141 | V132-F139 HydrophobicContact CB-CE2 4.08Å; V132-F139 HydrophobicContact CG1-CD2 4.08Å; V132-F139 HydrophobicContact CG1-CE2 3.67Å; H136-F139 PolarHBondContact O-N 3.49Å; P137-F139 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-CD 3.28Å; F139-P141 WeakPolarHBondContact O-CD 3.41Å |
| 140 | E | 37.9 | Very low | 44.3 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -73 | 116.3 | 162.6 | -74.3 | -171.4 | 171.9 | 0 | 0 | 106.7 | I142 | E140-I142 PolarHBondContact O-N 3.29Š|
| 141 | P | 41.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | | | trans | -59.7 | 108.7 | 175.5 | 24.7 | -30.9 | 0 | 0 | 0 | 106.3 | F139 A143 | F139-P141 VanDerWaalsContact O-CD 3.28Å; F139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-A143 PolarHBondContact O-N 3.3Å |
| 142 | I | 45.5 | Very low | 46.3 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 70% | 0.697 | 70% | 0.695 | S | S | * | * | | | trans | -57.8 | 101.3 | 160.8 | -59.7 | 172.3 | 0 | 0 | 0 | 103.1 | E140 L144 | E140-I142 PolarHBondContact O-N 3.29Å; I142-L144 HydrophobicContact CG2-CD2 3.74Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; I142-L144 PolarHBondContact O-N 3.32Å |
| 143 | A | 40.8 | Very low | 46.9 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | | | trans | -65.2 | 79.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | P141 R145 | P141-A143 PolarHBondContact O-N 3.3Å; A143-R145 PolarHBondContact O-N 3.45Å |
| 144 | L | 46.7 | Very low | 47.7 | Very low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | | | trans | -64.1 | 94.2 | 168.2 | -67.6 | 177.5 | 0 | 0 | 0 | 104.5 | I142 P146 | I142-L144 HydrophobicContact CG2-CD2 3.74Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; I142-L144 PolarHBondContact O-N 3.32Å; L144-P146 VanDerWaalsContact O-N 3.16Å |
| 145 | R | 38.9 | Very low | 48.1 | Very low | 223 Ų | 223 | 131.5 Ų | 131.5 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | | | trans | -51.2 | 125.4 | 171.3 | -64 | -175 | -159 | 162 | 4.9 | 106.2 | A143 V147 | A143-R145 PolarHBondContact O-N 3.45Å; R145-V147 PolarHBondContact O-N 3.04Å |
| 146 | P | 47.2 | Very low | 48.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | -59.2 | 114.1 | 179 | 22.2 | -30.8 | 0 | 0 | 0 | 108 | L144 A148 | L144-P146 VanDerWaalsContact O-N 3.16Å; P146-A148 PolarHBondContact O-N 3.34Å; P146-A148 VanDerWaalsContact O-N 3.16Å |
| 147 | V | 51.2 | Low | 48.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 78% | 0.782 | 70% | 0.698 | S | S | * | * | | | trans | -69.4 | 111.2 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 105.7 | R145 V149 | R145-V147 PolarHBondContact O-N 3.04Å; V147-V149 PolarHBondContact O-N 3.28Å |
| 148 | A | 44.7 | Very low | 48.9 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | | | trans | -62.7 | 102.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P146 | P146-A148 PolarHBondContact O-N 3.34Å; P146-A148 VanDerWaalsContact O-N 3.16Å |
| 149 | V | 50.7 | Low | 48.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 60% | 0.6 | 69% | 0.688 | S | S | * | * | | | trans | -84.6 | 115.1 | 171.6 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | V147 L151 V154 | V147-V149 PolarHBondContact O-N 3.28Å; V149-L151 PolarHBondContact O-N 3.4Å; V149-V154 HydrophobicContact CG1-CG2 4.02Å |
| 150 | R | 48.3 | Very low | 48.9 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | | | trans | -63.8 | 125 | 172.8 | -61.4 | 178.1 | 110.1 | 163.4 | 5.1 | 108.4 | E152 N153 | R150-E152 HydrophobicContact CB-CG 3.92Å; R150-E152 VanDerWaalsContact CD-OE1 3.3Å; R150-E152 WeakPolarHBondContact CD-OE1 3.16Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 2.74Å; R150-E152 PolarHBondContact NE-OE1 2.91Å; R150-E152 PolarHBondContact O-N 3.33Å; R150-E152 VanDerWaalsContact O-N 3.09Å; R150-N153 PolarHBondContact O-N 2.76Å |
| 151 | L | 60.6 | Low | 49.3 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -60.2 | -21.3 | -175 | -69.5 | 172.6 | 0 | 0 | 0 | 113.5 | V149 N153 V154 | V149-L151 PolarHBondContact O-N 3.4Å; L151-N153 PolarHBondContact O-N 3.25Å; L151-V154 PolarHBondContact O-N 2.98Å; L151-V154 VanDerWaalsContact O-N 3.11Å |
| 152 | E | 62.5 | Low | 49.6 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -59.7 | -24 | 173.9 | 64.9 | -166.8 | 163.8 | 0 | 0 | 113.5 | R150 | R150-E152 HydrophobicContact CB-CG 3.92Å; R150-E152 VanDerWaalsContact CD-OE1 3.3Å; R150-E152 WeakPolarHBondContact CD-OE1 3.16Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 2.74Å; R150-E152 PolarHBondContact NE-OE1 2.91Å; R150-E152 PolarHBondContact O-N 3.33Å; R150-E152 VanDerWaalsContact O-N 3.09Å |
| 153 | N | 54 | Low | 49.2 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -92.2 | -5.8 | 178.9 | -65.9 | -19.3 | 0 | 0 | 0 | 113.5 | R150 L151 R155 | R150-N153 PolarHBondContact O-N 2.76Å; L151-N153 PolarHBondContact O-N 3.25Å; N153-R155 PolarHBondContact O-N 2.94Å |
| 154 | V | 57.2 | Low | 49.4 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 47% | 0.473 | 70% | 0.695 | S | S | . | * | | | trans | -91.4 | 82.5 | 179.3 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | V149 L151 V156 | V149-V154 HydrophobicContact CG1-CG2 4.02Å; L151-V154 PolarHBondContact O-N 2.98Å; L151-V154 VanDerWaalsContact O-N 3.11Å; V154-V156 HydrophobicContact CG1-CG2 4.05Å; V154-V156 PolarHBondContact O-N 2.99Å |
| 155 | R | 51.8 | Low | 49.4 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | | | trans | -71.5 | 96.8 | 167 | -75.6 | -175.8 | 178.9 | 170.3 | -0.3 | 109.1 | N153 H157 | N153-R155 PolarHBondContact O-N 2.94Å; R155-H157 PolarHBondContact O-N 3.39Å |
| 156 | V | 58.3 | Low | 49.8 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 49% | 0.491 | 69% | 0.691 | S | S | . | * | | | trans | -72.6 | 116.6 | 168.9 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V154 Q160 | V154-V156 HydrophobicContact CG1-CG2 4.05Å; V154-V156 PolarHBondContact O-N 2.99Å; V156-Q160 HydrophobicContact CG1-CB 4.44Å |
| 157 | H | 41.6 | Very low | 49.5 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 60% | 0.597 | 69% | 0.694 | S | S | * | * | | | trans | -60.9 | 128.9 | 178.1 | -164.5 | -90.3 | 0 | 0 | 0 | 109.8 | R155 A159 Q160 | R155-H157 PolarHBondContact O-N 3.39Å; H157-A159 WeakPolarHBondContact ND1-CB 3.42Å; H157-A159 PolarHBondContact O-N 3.41Å; H157-Q160 PolarHBondContact O-N 2.95Å |
| 158 | P | 50.9 | Low | 48.8 | Very low | 99 Ų | 99 | 141 Ų | 141 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -58.2 | -24.5 | -173.1 | 17.8 | -29.3 | 0 | 0 | 0 | 114 | Q160 R161 | P158-Q160 PolarHBondContact O-N 3.34Å; P158-Q160 VanDerWaalsContact O-N 3.13Å; P158-R161 PolarHBondContact O-N 3.46Å; P158-R161 VanDerWaalsContact O-N 3.09Å |
| 159 | A | 49.5 | Very low | 48.6 | Very low | 50 Ų | 50 | 145.1 Ų | 145.1 | 41% | 0.413 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -59.8 | -20.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H157 Y163 | H157-A159 WeakPolarHBondContact ND1-CB 3.42Å; H157-A159 PolarHBondContact O-N 3.41Å; A159-Y163 VanDerWaalsContact O-CD2 3.31Å; A159-Y163 WeakPolarHBondContact O-CD2 3.45Å; A159-Y163 WeakPolarHBondContact O-CE2 3.35Å |
| 160 | Q | 46.5 | Very low | 48 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -83.2 | -11.4 | 177.8 | -68.6 | -177.5 | -14.6 | 0 | 0 | 113.6 | V156 H157 P158 | V156-Q160 HydrophobicContact CG1-CB 4.44Å; H157-Q160 PolarHBondContact O-N 2.95Å; P158-Q160 PolarHBondContact O-N 3.34Å; P158-Q160 VanDerWaalsContact O-N 3.13Å |
| 161 | R | 47.7 | Very low | 47.7 | Very low | 219 Ų | 219 | 145.2 Ų | 145.2 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -21.1 | 173.4 | -72.9 | -170.8 | -171.1 | 178.6 | 4 | 113.4 | P158 | P158-R161 PolarHBondContact O-N 3.46Å; P158-R161 VanDerWaalsContact O-N 3.09Å |
| 162 | A | 47.1 | Very low | 46.8 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -85 | -14.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q164 | A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.37Å |
| 163 | Y | 37.6 | Very low | 45.9 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 55.2 | -179.1 | -67.5 | -78.7 | 0 | 0 | 0 | 112.8 | A159 | A159-Y163 VanDerWaalsContact O-CD2 3.31Å; A159-Y163 WeakPolarHBondContact O-CD2 3.45Å; A159-Y163 WeakPolarHBondContact O-CE2 3.35Å |
| 164 | Q | 44.7 | Very low | 45.4 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.7 | 38 | 163.7 | -117.9 | 175.3 | 56.6 | 0 | 0 | 115.8 | A162 | A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.37Å |
| 165 | T | 47.3 | Very low | 44.7 | Very low | 111 Ų | 111 | 156.3 Ų | 156.3 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -137 | -13.4 | 168.7 | 50.5 | 0 | 0 | 0 | 0 | 117.1 | N167 | T165-N167 PolarHBondContact O-N 2.94Š|
| 166 | E | 45.7 | Very low | 44.2 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -11.1 | -175.2 | -75.6 | -170.2 | 159.5 | 0 | 0 | 116.6 | | |
| 167 | N | 42.2 | Very low | 43.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 1.1 | 177.9 | -77.3 | -24.2 | 0 | 0 | 0 | 114.6 | T165 R169 | T165-N167 PolarHBondContact O-N 2.94Å; N167-R169 PolarHBondContact O-N 3.46Å; N167-R169 VanDerWaalsContact O-N 3.15Å |
| 168 | W | 36.3 | Very low | 44.3 | Very low | 225 Ų | 225 | 146.9 Ų | 146.9 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | | | trans | -86.8 | 60.1 | 162.7 | -60.3 | 97.8 | 0 | 0 | 0 | 108.8 | E170 | W168-E170 PolarHBondContact O-N 2.82Š|
| 169 | R | 39.4 | Very low | 44.2 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | trans | -60.3 | 114.6 | 158.2 | -86.5 | -173.6 | -178.6 | -127.3 | -1.2 | 105.8 | N167 R172 | N167-R169 PolarHBondContact O-N 3.46Å; N167-R169 VanDerWaalsContact O-N 3.15Å; R169-R172 VanDerWaalsContact NH1-NH2 3.18Å |
| 170 | E | 39.7 | Very low | 44.3 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | -42.6 | 133 | 164.6 | -70.1 | 175.2 | 160.7 | 0 | 0 | 108.6 | W168 R172 | W168-E170 PolarHBondContact O-N 2.82Å; E170-R172 PolarHBondContact O-N 3.05Å |
| 171 | P | 41.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | | | trans | -59.1 | 103.3 | 179.5 | 22.2 | -29.6 | 0 | 0 | 0 | 108.1 | E173 | P171-E173 PolarHBondContact O-N 3.28Š|
| 172 | R | 42.1 | Very low | 44.4 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 76% | 0.758 | 70% | 0.695 | S | S | * | * | | | trans | -51.6 | 117.9 | 171.2 | -74 | -178.7 | 171 | -169.3 | -7.6 | 107.4 | R169 E170 I174 | R169-R172 VanDerWaalsContact NH1-NH2 3.18Å; E170-R172 PolarHBondContact O-N 3.05Å; R172-I174 PolarHBondContact O-N 2.92Å |
| 173 | E | 42.7 | Very low | 44.3 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | | | trans | 32.5 | 88.5 | 164.8 | -68.2 | 172.6 | -179.9 | 0 | 0 | 112.5 | P171 R175 | P171-E173 PolarHBondContact O-N 3.28Å; E173-R175 PolarHBondContact O-N 3.38Å |
| 174 | I | 43.9 | Very low | 44.7 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 67% | 0.672 | 70% | 0.704 | S | S | * | * | | | trans | -53.5 | 98.5 | 161 | -59.1 | 166.3 | 0 | 0 | 0 | 105.3 | R172 N176 V177 | R172-I174 PolarHBondContact O-N 2.92Å; I174-N176 PolarHBondContact O-N 2.88Å; I174-V177 HydrophobicContact CG2-CG2 4.22Å |
| 175 | R | 41.4 | Very low | 44.6 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | | | trans | -48.6 | 122 | 165.3 | -76.7 | -176.5 | -174.9 | 169.1 | 0.6 | 105.4 | E173 V177 | E173-R175 PolarHBondContact O-N 3.38Å; R175-V177 PolarHBondContact O-N 3.33Å |
| 176 | N | 42.7 | Very low | 44.4 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | | | trans | -40.6 | 115.9 | -178.6 | -100 | -36.2 | 0 | 0 | 0 | 108.9 | I174 A178 D179 | I174-N176 PolarHBondContact O-N 2.88Å; N176-A178 HydrophobicContact CB-CB 4.41Å; N176-A178 PolarHBondContact O-N 3.21Å; N176-D179 PolarHBondContact O-N 3.42Å |
| 177 | V | 51.9 | Low | 44.5 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 49% | 0.485 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -57 | -22.6 | 178.1 | 177 | 0 | 0 | 0 | 0 | 110 | I174 R175 D179 I180 F181 | I174-V177 HydrophobicContact CG2-CG2 4.22Å; R175-V177 PolarHBondContact O-N 3.33Å; V177-D179 VanDerWaalsContact C-N 3.33Å; V177-D179 PolarHBondContact O-N 3.07Å; V177-I180 PolarHBondContact O-N 3.01Å; V177-F181 HydrophobicContact CG1-CD2 3.73Å; V177-F181 HydrophobicContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact O-CD2 3.28Å; V177-F181 WeakPolarHBondContact O-CD2 3.28Å; V177-F181 PolarHBondContact O-N 3Å |
| 178 | A | 50.3 | Low | 44.6 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 50% | 0.504 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -56.7 | -36 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N176 F181 S182 | N176-A178 HydrophobicContact CB-CB 4.41Å; N176-A178 PolarHBondContact O-N 3.21Å; A178-F181 PolarHBondContact O-N 3.3Å; A178-S182 WeakPolarHBondContact O-CB 3.48Å; A178-S182 PolarHBondContact O-N 3.04Å; A178-S182 PolarHBondContact O-OG 2.98Å |
| 179 | D | 47.9 | Very low | 44.8 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.9 | -31.1 | -179.6 | -69.8 | -21.3 | 0 | 0 | 0 | 112 | N176 V177 F181 S183 | N176-D179 PolarHBondContact O-N 3.42Å; V177-D179 VanDerWaalsContact C-N 3.33Å; V177-D179 PolarHBondContact O-N 3.07Å; D179-F181 VanDerWaalsContact C-N 3.34Å; D179-S183 PolarHBondContact O-N 2.95Å; D179-S183 PolarHBondContact O-OG 3.19Å |
| 180 | I | 51.6 | Low | 45 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 55% | 0.549 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.5 | -37.1 | 176.7 | -56.4 | 177.3 | 0 | 0 | 0 | 110.4 | V177 | V177-I180 PolarHBondContact O-N 3.01Å |
| 181 | F | 49 | Very low | 45.3 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -89 | -17.2 | 179.1 | -70.3 | -68.9 | 0 | 0 | 0 | 114.5 | V177 A178 D179 | V177-F181 HydrophobicContact CG1-CD2 3.73Å; V177-F181 HydrophobicContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact O-CD2 3.28Å; V177-F181 WeakPolarHBondContact O-CD2 3.28Å; V177-F181 PolarHBondContact O-N 3Å; A178-F181 PolarHBondContact O-N 3.3Å; D179-F181 VanDerWaalsContact C-N 3.34Å |
| 182 | S | 47.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 130 Ų | 130 | 51% | 0.51 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -75.2 | -29.3 | 174.6 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | A178 N184 | A178-S182 WeakPolarHBondContact O-CB 3.48Å; A178-S182 PolarHBondContact O-N 3.04Å; A178-S182 PolarHBondContact O-OG 2.98Å; S182-N184 VanDerWaalsContact C-N 3.35Å; S182-N184 PolarHBondContact O-N 2.99Å |
| 183 | S | 45 | Very low | 45.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -14.1 | -174.7 | -64.9 | 0 | 0 | 0 | 0 | 115.1 | D179 | D179-S183 PolarHBondContact O-N 2.95Å; D179-S183 PolarHBondContact O-OG 3.19Å |
| 184 | N | 45.5 | Very low | 45.5 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 5 | -177.9 | -76.1 | -25.6 | 0 | 0 | 0 | 115.1 | S182 | S182-N184 VanDerWaalsContact C-N 3.35Å; S182-N184 PolarHBondContact O-N 2.99Å |
| 185 | R | 42.4 | Very low | 45.8 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -101.8 | -3.7 | 177.9 | -165.2 | 171.8 | -88.2 | -127.4 | 1.9 | 114.1 | A187 A189 | R185-A187 PolarHBondContact O-N 3.13Å; R185-A187 VanDerWaalsContact O-N 3.09Å; R185-A189 HydrophobicContact CG-CB 3.8Å |
| 186 | S | 43.6 | Very low | 46.1 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 70.1 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 187 | A | 46.9 | Very low | 46.3 | Very low | 105 Ų | 105 | 123 Ų | 123 | 87% | 0.868 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169 | -30.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114 | R185 | R185-A187 PolarHBondContact O-N 3.13Å; R185-A187 VanDerWaalsContact O-N 3.09Å |
| 188 | A | 44.4 | Very low | 46.3 | Very low | 100 Ų | 100 | 122 Ų | 122 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | -5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 189 | A | 41.6 | Very low | 46.4 | Very low | 38 Ų | 38 | 124.7 Ų | 124.7 | 31% | 0.314 | 69% | 0.69 | S | S | . | * | | | trans | -105.6 | 7.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R185 I191 | R185-A189 HydrophobicContact CG-CB 3.8Å; A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 3.01Å |
| 190 | Q | 43 | Very low | 46.5 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 1.6 | -175.2 | -144.2 | 177.6 | 7.2 | 0 | 0 | 114.6 | | |
| 191 | I | 45 | Very low | 46.6 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -10.8 | -177.3 | -61.5 | 179.7 | 0 | 0 | 0 | 114.1 | A189 | A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 3.01Å |
| 192 | Q | 45.7 | Very low | 46.9 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 0.6 | -177.1 | -77 | -178.7 | -13.7 | 0 | 0 | 116.6 | R194 | Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3Å |
| 193 | S | 42.5 | Very low | 47.2 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 10 | -178.4 | 76.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 194 | R | 43.5 | Very low | 47.4 | Very low | 240 Ų | 240 | 120.6 Ų | 120.6 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -13.1 | 179.4 | -117.3 | -173.6 | -176.1 | -169.5 | 2 | 114.7 | Q192 | Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3Å |
| 195 | V | 50.5 | Low | 47.7 | Very low | 114 Ų | 114 | 120 Ų | 120 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -32.8 | -175.4 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | C197 | V195-C197 PolarHBondContact O-N 3.03Š|
| 196 | E | 47.8 | Very low | 48.1 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.2 | -13.5 | -173.2 | -70.3 | -176 | 160.8 | 0 | 0 | 115.4 | A198 | E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.97Å |
| 197 | C | 47.1 | Very low | 48.6 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.5 | -14.9 | 175.9 | -73 | 0 | 0 | 0 | 0 | 113.8 | V195 | V195-C197 PolarHBondContact O-N 3.03Å |
| 198 | A | 51.6 | Low | 48.9 | Very low | 60 Ų | 60 | 120.7 Ų | 120.7 | 50% | 0.496 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -78.7 | -36 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E196 L202 | E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.97Å; A198-L202 PolarHBondContact O-N 3.39Å |
| 199 | D | 51.8 | Low | 48.8 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.7 | -34.8 | -175.2 | -78.5 | -24.7 | 0 | 0 | 0 | 113 | L202 A203 | D199-L202 PolarHBondContact O-N 3.4Å; D199-A203 WeakPolarHBondContact O-CB 3.42Å; D199-A203 PolarHBondContact O-N 2.88Å |
| 200 | A | 51.2 | Low | 49 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.7 | -36.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A203 Y204 | A200-A203 PolarHBondContact O-N 3.15Å; A200-Y204 PolarHBondContact O-N 3.36Å |
| 201 | A | 53.8 | Low | 49 | Very low | 63 Ų | 63 | 119 Ų | 119 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.6 | -34.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K205 | A201-K205 PolarHBondContact O-N 2.76Å |
| 202 | L | 53.9 | Low | 49 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.1 | -35.1 | 173.7 | -88.8 | 161.9 | 0 | 0 | 0 | 112.4 | A198 D199 K205 R206 | A198-L202 PolarHBondContact O-N 3.39Å; D199-L202 PolarHBondContact O-N 3.4Å; L202-K205 PolarHBondContact O-N 3.43Å; L202-R206 PolarHBondContact O-N 3.13Å |
| 203 | A | 54.7 | Low | 48.9 | Very low | 50 Ų | 50 | 121.8 Ų | 121.8 | 41% | 0.413 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D199 A200 R206 L207 | D199-A203 WeakPolarHBondContact O-CB 3.42Å; D199-A203 PolarHBondContact O-N 2.88Å; A200-A203 PolarHBondContact O-N 3.15Å; A203-R206 PolarHBondContact O-N 2.74Å; A203-L207 PolarHBondContact O-N 3.48Å |
| 204 | Y | 48.4 | Very low | 49.4 | Very low | 181 Ų | 181 | 122.4 Ų | 122.4 | 71% | 0.71 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.7 | -38.7 | 177.5 | -107.8 | -87.5 | 0 | 0 | 0 | 113.1 | A200 R206 L207 S208 | A200-Y204 PolarHBondContact O-N 3.36Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.25Å; Y204-L207 PolarHBondContact O-N 2.74Å; Y204-S208 PolarHBondContact O-N 3.49Å |
| 205 | K | 52.7 | Low | 49.4 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.2 | -29.2 | 175.3 | -98.3 | -175.4 | 176.4 | 179.4 | 0 | 113.6 | A201 L202 S208 N209 | A201-K205 PolarHBondContact O-N 2.76Å; L202-K205 PolarHBondContact O-N 3.43Å; K205-S208 PolarHBondContact O-OG 3.21Å; K205-N209 PolarHBondContact O-N 3.36Å |
| 206 | R | 50.7 | Low | 49.1 | Very low | 191 Ų | 191 | 117.4 Ų | 117.4 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.9 | -30.5 | 176.2 | -75.2 | -178.4 | 177.9 | 151.5 | 1.1 | 112.6 | L202 A203 Y204 | L202-R206 PolarHBondContact O-N 3.13Å; A203-R206 PolarHBondContact O-N 2.74Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.25Å |
| 207 | L | 53.1 | Low | 49 | Very low | 140 Ų | 140 | 115.1 Ų | 115.1 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -83.1 | -31 | 178.7 | -68.5 | 170.7 | 0 | 0 | 0 | 113 | A203 Y204 | A203-L207 PolarHBondContact O-N 3.48Å; Y204-L207 PolarHBondContact O-N 2.74Å |
| 208 | S | 53.8 | Low | 49 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.8 | -26.8 | 179.7 | 70.1 | 0 | 0 | 0 | 0 | 114 | Y204 K205 | Y204-S208 PolarHBondContact O-N 3.49Å; K205-S208 PolarHBondContact O-OG 3.21Å |
| 209 | N | 42.8 | Very low | 48.5 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -101.4 | 1.1 | -175.1 | -67.5 | -5.8 | 0 | 0 | 0 | 113.9 | K205 | K205-N209 PolarHBondContact O-N 3.36Š|
| 210 | A | 44.8 | Very low | 47.9 | Very low | 59 Ų | 59 | 120.1 Ų | 120.1 | 49% | 0.488 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -72 | 123.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R212 | A210-R212 PolarHBondContact O-N 3.12Å; A210-R212 VanDerWaalsContact O-N 3.14Å |
| 211 | P | 43.5 | Very low | 47.2 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | | | trans | -55.8 | 125.6 | 178.7 | 19.7 | -29.3 | 0 | 0 | 0 | 109.3 | K213 | P211-K213 VanDerWaalsContact C-N 3.33Å; P211-K213 PolarHBondContact O-N 2.82Å |
| 212 | R | 44.1 | Very low | 46.4 | Very low | 241 Ų | 241 | 125.6 Ų | 125.6 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | | | trans | -57.8 | 92.6 | 178 | -76.1 | 176.8 | 163.1 | 170.2 | -5.4 | 109.2 | A210 T214 | A210-R212 PolarHBondContact O-N 3.12Å; A210-R212 VanDerWaalsContact O-N 3.14Å; R212-T214 PolarHBondContact O-N 2.79Å; R212-T214 VanDerWaalsContact O-N 3.07Å |
| 213 | K | 45.1 | Very low | 45.6 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 64% | 0.635 | 66% | 0.657 | S | S | * | * | | | trans | -67.3 | 106.8 | 171.6 | -72.2 | -174.4 | 177.5 | -177.1 | 0 | 107.6 | P211 | P211-K213 VanDerWaalsContact C-N 3.33Å; P211-K213 PolarHBondContact O-N 2.82Å |
| 214 | T | 51.5 | Low | 44.6 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | | | trans | -68.1 | 152.5 | 172.3 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | R212 A216 Q217 | R212-T214 PolarHBondContact O-N 2.79Å; R212-T214 VanDerWaalsContact O-N 3.07Å; T214-A216 PolarHBondContact O-N 3.34Å; T214-Q217 WeakPolarHBondContact O-CB 3.36Å; T214-Q217 PolarHBondContact O-N 3.37Å |
| 215 | F | 43.9 | Very low | 43.7 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 77% | 0.768 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -51.5 | -27.3 | -176.1 | -166.1 | -98.3 | 0 | 0 | 0 | 113.8 | Q217 | F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å |
| 216 | A | 45.3 | Very low | 42.9 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -68 | -25.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T214 | T214-A216 PolarHBondContact O-N 3.34Š|
| 217 | Q | 45.4 | Very low | 42 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -83.4 | -16 | -178.4 | -125.6 | 178.1 | 1.7 | 0 | 0 | 113.3 | T214 F215 F219 | T214-Q217 WeakPolarHBondContact O-CB 3.36Å; T214-Q217 PolarHBondContact O-N 3.37Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å; Q217-F219 PolarHBondContact O-N 3.06Å |
| 218 | H | 47.2 | Very low | 41.1 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -69.7 | -17.7 | 174.7 | -87.5 | -82.3 | 0 | 0 | 0 | 113.1 | | |
| 219 | F | 41.3 | Very low | 40.2 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -123.9 | 4.6 | -175.2 | -65.9 | -77.2 | 0 | 0 | 0 | 114.6 | Q217 | Q217-F219 PolarHBondContact O-N 3.06Š|
| 220 | S | 37.6 | Very low | 39.7 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 58% | 0.58 | 71% | 0.714 | S | S | * | * | | | trans | -100.7 | -4.5 | -178 | 68.7 | 0 | 0 | 0 | 0 | 115.8 | V222 | S220-V222 PolarHBondContact O-N 2.8Š|
| 221 | T | 38 | Very low | 39.2 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | | | trans | -86 | 90.1 | 166.9 | 24 | 0 | 0 | 0 | 0 | 110.1 | P223 | T221-P223 WeakPolarHBondContact O-CD 3.37Š|
| 222 | V | 36.5 | Very low | 38.7 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | -52.8 | 120.6 | 153.9 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | S220 N224 | S220-V222 PolarHBondContact O-N 2.8Å; V222-N224 PolarHBondContact O-N 3.48Å |
| 223 | P | 37.6 | Very low | 38.1 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | -66.6 | 107.5 | -176.9 | 24.2 | -30.4 | 0 | 0 | 0 | 108.9 | T221 R225 | T221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-R225 PolarHBondContact O-N 3.23Å; P223-R225 VanDerWaalsContact O-N 3.16Å |
| 224 | N | 32.9 | Very low | 37.4 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | trans | -56.9 | 120 | 161.2 | -89 | -22.9 | 0 | 0 | 0 | 107.4 | V222 L226 | V222-N224 PolarHBondContact O-N 3.48Å; N224-L226 PolarHBondContact O-N 3.4Å |
| 225 | R | 30.7 | Very low | 36.6 | Very low | 244 Ų | 244 | 137.7 Ų | 137.7 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | | | trans | -11.7 | 93.3 | 168.5 | -78.2 | 176.5 | 167.9 | 172.8 | -4.2 | 112.7 | P223 T227 | P223-R225 PolarHBondContact O-N 3.23Å; P223-R225 VanDerWaalsContact O-N 3.16Å; R225-T227 PolarHBondContact O-N 3.43Å |
| 226 | L | 35.6 | Very low | 36.1 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | | | trans | -78.5 | 99.8 | 158.6 | -75.9 | 170.5 | 0 | 0 | 0 | 105.7 | N224 A228 | N224-L226 PolarHBondContact O-N 3.4Å; L226-A228 PolarHBondContact O-N 2.78Å |
| 227 | T | 31.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -40.4 | 123.2 | 162.5 | -41.1 | 0 | 0 | 0 | 0 | 108.5 | R225 | R225-T227 PolarHBondContact O-N 3.43Š|
| 228 | A | 33.4 | Very low | 35 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -53.8 | 135.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L226 S230 | L226-A228 PolarHBondContact O-N 2.78Å; A228-S230 PolarHBondContact O-N 3.43Å |
| 229 | P | 36.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -65.1 | 105.2 | 170.5 | 26.3 | -29.9 | 0 | 0 | 0 | 108 | E231 | P229-E231 PolarHBondContact O-N 3.45Š|
| 230 | S | 30.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -77 | 102.2 | 163.7 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | A228 | A228-S230 PolarHBondContact O-N 3.43Š|
| 231 | E | 35.5 | Very low | 33.3 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -168.6 | 97.1 | 158.7 | -109.6 | 162.1 | -156.8 | 0 | 0 | 109.8 | P229 W233 | P229-E231 PolarHBondContact O-N 3.45Å; E231-W233 PolarHBondContact O-N 3.03Å |
| 232 | D | 32.1 | Very low | 32.9 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | 39.4 | 72.9 | 132.3 | -58.6 | -26.2 | 0 | 0 | 0 | 118.4 | S234 | D232-S234 VanDerWaalsContact C-N 3.35Š|
| 233 | W | 31.6 | Very low | 32.6 | Very low | 253 Ų | 253 | 144.2 Ų | 144.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | trans | -99.4 | 66.1 | 149.8 | -71.6 | 73.4 | 0 | 0 | 0 | 109.4 | E231 | E231-W233 PolarHBondContact O-N 3.03Š|
| 234 | S | 31.7 | Very low | 32.3 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | trans | -79.4 | 125.5 | 162.6 | -67.7 | 0 | 0 | 0 | 0 | 108.7 | D232 K236 | D232-S234 VanDerWaalsContact C-N 3.35Å; S234-K236 PolarHBondContact O-N 3Å |
| 235 | P | 34.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | trans | -65.8 | 111.9 | 179.9 | 23.3 | -29.7 | 0 | 0 | 0 | 110.1 | K237 | P235-K237 PolarHBondContact O-N 3.07Š|
| 236 | K | 33.8 | Very low | 32.3 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | | | trans | -59.5 | 107.7 | 170.3 | -102.8 | 177.8 | 173.9 | 174.5 | 0 | 109.2 | S234 T238 | S234-K236 PolarHBondContact O-N 3Å; K236-T238 PolarHBondContact O-N 2.99Å |
| 237 | K | 30.9 | Very low | 32 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | -52.7 | 114.4 | 158.1 | -79.7 | -179.3 | 173.8 | -178.2 | 0 | 108.5 | P235 | P235-K237 PolarHBondContact O-N 3.07Š|
| 238 | T | 35.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -97.8 | 95.7 | 159.3 | 31.7 | 0 | 0 | 0 | 0 | 106.6 | K236 | K236-T238 PolarHBondContact O-N 2.99Š|
| 239 | T | 28.4 | Very low | 32 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 66% | 0.663 | 82% | 0.817 | S | S | * | * | | | trans | -81.8 | 137.1 | 166.9 | 13.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 240 | D | 29.4 | Very low | 31.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | 74.7 | 106.9 | 153.6 | -50 | -26.8 | 0 | 0 | 0 | 119.7 | | |
| 241 | S | 33.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | | | | -155.7 | 128.1 | 108.9 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 242 | S | 29 | Very low | 31.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | -77.7 | 149.3 | 173.4 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 243 | G | 29.1 | Very low | 31.2 | Very low | 75 Ų | 75 | 149.8 Ų | 149.8 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -170 | 96.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 244 | S | 31.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | 52.6 | 106.5 | 151.5 | -70 | 0 | 0 | 0 | 0 | 120.7 | | |
| 245 | R | 28.4 | Very low | 31.7 | Very low | 248 Ų | 248 | 146 Ų | 146 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | | 52.5 | 108.6 | 83.8 | -77.3 | -171.9 | 172.2 | -172.8 | -0.3 | 115.6 | | |
| 246 | S | 35.8 | Very low | 31.8 | Very low | 126 Ų | 126 | 144 Ų | 144 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | | | | -154 | 125.5 | 126.6 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 247 | K | 29.4 | Very low | 31.6 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -97.7 | 157.4 | 179 | -83.2 | 177.4 | 171.7 | 179.8 | 0 | 109.4 | | |
| 248 | S | 27.3 | Very low | 31.6 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | | | trans | 63 | 123.4 | 148.7 | 59.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 249 | N | 37.3 | Very low | 31.3 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | | -165.3 | 115.3 | 107.5 | -84.2 | -28.5 | 0 | 0 | 0 | 110.8 | | |
| 250 | F | 25.7 | Very low | 31.2 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -68.6 | 134.1 | 153 | -95.9 | -97.9 | 0 | 0 | 0 | 108.2 | | |
| 251 | L | 38.5 | Very low | 31.4 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -138.7 | 132.2 | 152.6 | -94.6 | 172.1 | 0 | 0 | 0 | 109.9 | | |
| 252 | V | 25.4 | Very low | 31.1 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 63% | 0.63 | 82% | 0.815 | S | S | * | * | | | trans | -109.4 | 156.3 | -177.6 | 157.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 253 | N | 28.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | | | trans | 95.5 | 155.8 | 160.6 | -81.5 | -9.5 | 0 | 0 | 0 | 119.9 | | |
| 254 | P | 46.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | | | cis | -143.6 | 169.3 | -26.9 | 35.8 | -16.4 | 0 | 0 | 0 | 116.2 | | |
| 255 | L | 28.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | 27.8 | 115.8 | 141.4 | -70.2 | 148.1 | 0 | 0 | 0 | 121 | | |
| 256 | G | 36.7 | Very low | 31.3 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -135.9 | 118.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 257 | R | 28 | Very low | 31.3 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -70.6 | 144.8 | -178.1 | -64.2 | 177.8 | 173 | -162.7 | -1.5 | 113 | | |
| 258 | R | 32.4 | Very low | 31.3 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | | 172.8 | 117.5 | 120.7 | -93.6 | 170.1 | -177.6 | -131.7 | 1.6 | 113.5 | | |
| 259 | S | 28.5 | Very low | 31.6 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 45.3 | 115.7 | 141.9 | 62.5 | 0 | 0 | 0 | 0 | 123 | | |
| 260 | S | 26.7 | Very low | 31.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 55.7 | 110.4 | 122.1 | -161 | 0 | 0 | 0 | 0 | 119.6 | | |
| 261 | V | 32.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | -173.3 | 115.1 | 97.2 | 160.1 | 0 | 0 | 0 | 0 | 106.5 | S263 | V261-S263 PolarHBondContact O-N 2.8Š|
| 262 | E | 27.1 | Very low | 31.5 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -78.4 | 109.6 | 175.6 | -82.1 | 166.9 | 120.8 | 0 | 0 | 110.7 | | |
| 263 | S | 30.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -110 | 101.7 | 157.5 | -61.6 | 0 | 0 | 0 | 0 | 107.5 | V261 S265 | V261-S263 PolarHBondContact O-N 2.8Å; S263-S265 PolarHBondContact O-N 2.98Å |
| 264 | K | 29.4 | Very low | 32 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -62.6 | 94 | 175.4 | -69.5 | 172.3 | 177.7 | 174.1 | 0 | 109.9 | V266 | K264-V266 PolarHBondContact O-N 3.12Š|
| 265 | S | 31.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | | | trans | -89.2 | 90.3 | 158.6 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | S263 | S263-S265 PolarHBondContact O-N 2.98Š|
| 266 | V | 32.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 66% | 0.655 | 79% | 0.793 | S | S | * | * | | | trans | -72 | 126.1 | 164.9 | -169.2 | 0 | 0 | 0 | 0 | 105.8 | K264 | K264-V266 PolarHBondContact O-N 3.12Š|
| 267 | F | 34 | Very low | 30.7 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | 86.5 | 63.9 | 178.7 | -53.6 | -76.9 | 0 | 0 | 0 | 118 | | |
| 268 | S | 31.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -138.7 | 95.8 | 138.5 | 73.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 269 | N | 32.8 | Very low | 30.9 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | 178.1 | 69.4 | 158.1 | -86.6 | -20.7 | 0 | 0 | 0 | 107.7 | P271 | N269-P271 WeakPolarHBondContact O-CD 3.42Š|
| 270 | Q | 29.1 | Very low | 30.9 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -92.8 | 103.6 | 157.5 | -79 | -76.7 | -28.5 | 0 | 0 | 105.8 | S272 | Q270-S272 PolarHBondContact O-N 2.97Š|
| 271 | P | 34.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | trans | -66.1 | 131.5 | 174.9 | 26.5 | -31.2 | 0 | 0 | 0 | 109.1 | N269 L273 | N269-P271 WeakPolarHBondContact O-CD 3.42Å; P271-L273 PolarHBondContact O-N 2.84Å |
| 272 | S | 34.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -47.4 | 121.7 | 172 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | Q270 A274 | Q270-S272 PolarHBondContact O-N 2.97Å; S272-A274 VanDerWaalsContact C-N 3.27Å; S272-A274 PolarHBondContact O-N 2.97Å |
| 273 | L | 32.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -60.1 | 84.8 | 171.3 | -78.5 | 149.5 | 0 | 0 | 0 | 110.2 | P271 | P271-L273 PolarHBondContact O-N 2.84Š|
| 274 | A | 31.3 | Very low | 30.2 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | | | trans | -85.3 | 112.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S272 R276 | S272-A274 VanDerWaalsContact C-N 3.27Å; S272-A274 PolarHBondContact O-N 2.97Å; A274-R276 PolarHBondContact O-N 2.88Å |
| 275 | W | 28 | Very low | 29.8 | Very low | 251 Ų | 251 | 136.1 Ų | 136.1 | 95% | 0.951 | 77% | 0.772 | S | S | * | * | | | trans | -60.5 | 95.4 | 173 | -66.5 | 83.6 | 0 | 0 | 0 | 109.3 | | |
| 276 | R | 30 | Very low | 29.6 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -91.1 | 117 | 163.8 | -84.6 | -177.1 | 166.2 | -105.3 | 0.1 | 107.9 | A274 S278 | A274-R276 PolarHBondContact O-N 2.88Å; R276-S278 PolarHBondContact O-N 3.06Å |
| 277 | S | 27.3 | Very low | 29 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -56.6 | 103.7 | 168.3 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | V279 | S277-V279 PolarHBondContact O-N 3.04Š|
| 278 | S | 28.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -87.6 | 94.4 | 172.1 | -161.5 | 0 | 0 | 0 | 0 | 108.4 | R276 G280 | R276-S278 PolarHBondContact O-N 3.06Å; S278-G280 PolarHBondContact O-N 2.98Å |
| 279 | V | 34.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -76.5 | 100 | 160.4 | -169.3 | 0 | 0 | 0 | 0 | 105.1 | S277 S281 | S277-V279 PolarHBondContact O-N 3.04Å; V279-S281 PolarHBondContact O-N 3.06Å; V279-S281 VanDerWaalsContact O-N 3.08Å |
| 280 | G | 28.4 | Very low | 28 | Very low | 55 Ų | 55 | 137 Ų | 137 | 57% | 0.567 | 79% | 0.787 | S | S | * | * | | | trans | -64.6 | 105.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S278 F282 | S278-G280 PolarHBondContact O-N 2.98Å; G280-F282 PolarHBondContact O-N 3.18Å |
| 281 | S | 25.7 | Very low | 27.8 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -78.7 | 108.2 | 167.4 | -163.5 | 0 | 0 | 0 | 0 | 108.1 | V279 N283 | V279-S281 PolarHBondContact O-N 3.06Å; V279-S281 VanDerWaalsContact O-N 3.08Å; S281-N283 PolarHBondContact O-N 3.28Å |
| 282 | F | 27.9 | Very low | 27.9 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -78.8 | 98 | 169.7 | -90.5 | -89.5 | 0 | 0 | 0 | 108.8 | G280 C284 | G280-F282 PolarHBondContact O-N 3.18Å; F282-C284 PolarHBondContact O-N 3.01Å |
| 283 | N | 23.5 | Very low | 27.6 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -78.7 | 94.8 | 161.5 | -81.1 | -26.7 | 0 | 0 | 0 | 108.6 | S281 | S281-N283 PolarHBondContact O-N 3.28Š|
| 284 | C | 25.4 | Very low | 27.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -95.1 | 100.5 | 159.8 | -79.5 | 0 | 0 | 0 | 0 | 108.4 | F282 | F282-C284 PolarHBondContact O-N 3.01Š|
| 285 | S | 21 | Very low | 27 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -70.9 | 123.5 | 166 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 286 | L | 28.2 | Very low | 27.1 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -138.4 | 85.6 | 162.9 | -112.1 | 151.8 | 0 | 0 | 0 | 106.7 | | |
| 287 | D | 20.3 | Very low | 27.5 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 130.6 | 160.6 | -83.2 | -43 | 0 | 0 | 0 | 108.5 | | |
| 288 | A | 26.9 | Very low | 27.3 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | | 167.2 | 139 | 124.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 289 | T | 25.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 74.7 | 101.2 | 152.3 | 13.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 290 | V | 23.9 | Very low | 26.8 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | | 75.8 | 117.6 | 60.3 | -179.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 291 | E | 25.1 | Very low | 27 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 93 | 136.4 | 157.9 | -74.2 | -69.4 | 122.8 | 0 | 0 | 122.6 | | |
| 292 | P | 37 | Very low | 26.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -114.6 | 148.6 | -173.8 | 39.6 | -24.7 | 0 | 0 | 0 | 114.6 | | |
| 293 | V | 27.6 | Very low | 26.8 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 96% | 0.964 | 79% | 0.79 | S | S | * | * | | | trans | -150.2 | 128.7 | 164.9 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 294 | G | 27.5 | Very low | 27.2 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 95.6 | 102.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 295 | A | 24 | Very low | 27.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | cis | 60.8 | 125.4 | 35.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 296 | V | 29.9 | Very low | 27.4 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | 116 | 138.2 | 155.8 | 179.4 | 0 | 0 | 0 | 0 | 116 | | |
| 297 | P | 39.3 | Very low | 27.7 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | | | | -135.8 | -170.5 | -118.9 | 50.8 | -38.8 | 0 | 0 | 0 | 117 | | |
| 298 | T | 22.6 | Very low | 27.9 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | 53 | 113.5 | 146 | -37.7 | 0 | 0 | 0 | 0 | 120.4 | Q300 | T298-Q300 HydrophobicContact CG2-CG 4.33Š|
| 299 | R | 29.3 | Very low | 27.9 | Very low | 252 Ų | 252 | 141.2 Ų | 141.2 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | | | trans | -131.5 | 102.9 | 138 | -82.4 | -169.6 | 174.5 | -160.2 | -1.5 | 110.2 | | |
| 300 | Q | 24.2 | Very low | 28.1 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -72.3 | 130.2 | 158.1 | -75.5 | -172.5 | -38.2 | 0 | 0 | 108.7 | T298 | T298-Q300 HydrophobicContact CG2-CG 4.33Š|
| 301 | L | 32.4 | Very low | 28.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -116.2 | 100.9 | 157.2 | -75.3 | 172.9 | 0 | 0 | 0 | 107.1 | | |
| 302 | S | 23.6 | Very low | 28.3 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | trans | -96.2 | 151.8 | 165.9 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 303 | R | 25.5 | Very low | 28.2 | Very low | 234 Ų | 234 | 143.4 Ų | 143.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | 96.2 | 105.3 | 172.9 | -63.4 | -175.7 | 174.4 | 178.7 | -1 | 116 | | |
| 304 | C | 31.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | | -150.2 | 137.8 | 106.3 | -102 | 0 | 0 | 0 | 0 | 110.1 | | |
| 305 | S | 28.2 | Very low | 28.5 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -86.4 | 152.9 | -165.2 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 306 | Q | 23.9 | Very low | 28.7 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 15.2 | 120.3 | 138.1 | -69.3 | 170.6 | -25 | 0 | 0 | 118.3 | | |
| 307 | I | 33.1 | Very low | 28.8 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -126.5 | 116.3 | 142.1 | -59.5 | 175.6 | 0 | 0 | 0 | 106.9 | | |
| 308 | T | 25.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | | | trans | -96 | 160.6 | 168.7 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 309 | N | 27.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 89 | 138.8 | 166.7 | -52.5 | -23.8 | 0 | 0 | 0 | 114.7 | | |
| 310 | S | 28 | Very low | 28.7 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | cis | -174.9 | 148.6 | 8.9 | 34.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 311 | D | 27.2 | Very low | 28.9 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | 43.2 | 125.8 | 136.7 | -67.7 | -49.3 | 0 | 0 | 0 | 124.5 | | |
| 312 | K | 27.3 | Very low | 28.9 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | | 44.7 | 112.8 | 129.8 | -72.3 | 175.6 | 173.3 | 172.6 | 0 | 120.1 | | |
| 313 | L | 35.5 | Very low | 29 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | -163.8 | 131.3 | 131.2 | -69.7 | -174.7 | 0 | 0 | 0 | 105.1 | | |
| 314 | H | 34.9 | Very low | 29.2 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | cis | -154 | 149 | 32.7 | -84.7 | -78.1 | 0 | 0 | 0 | 111 | | |
| 315 | S | 24.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | -89.6 | 167.4 | 169.7 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 316 | T | 28.4 | Very low | 29 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | 70.9 | 107 | 150.8 | 53.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 317 | L | 31.6 | Very low | 29 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | | | trans | -136.6 | 123 | 130.8 | -143.7 | 104.3 | 0 | 0 | 0 | 109.4 | | |
| 318 | T | 33.3 | Very low | 29 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | -87.4 | 162 | -168.9 | 38.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 319 | D | 25.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | -19.5 | 133.9 | 163.8 | -77 | -47.3 | 0 | 0 | 0 | 118.1 | | |
| 320 | R | 30.8 | Very low | 29.2 | Very low | 249 Ų | 249 | 146.4 Ų | 146.4 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | | | trans | -119.9 | 93.5 | 152.2 | -86.3 | -174 | 169.9 | 177.5 | -2.2 | 109.5 | | |
| 321 | T | 27.7 | Very low | 29.2 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -67.2 | 123.4 | 152.4 | 38.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 322 | A | 33.4 | Very low | 29.1 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | -125.7 | 93.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 323 | K | 24.9 | Very low | 29.2 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -99 | 121.3 | 158.7 | -84 | -179.5 | 173.6 | 179.2 | 0 | 106.9 | | |
| 324 | S | 31.1 | Very low | 29 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | -165 | 106.2 | 160.1 | 55 | 0 | 0 | 0 | 0 | 107.3 | | |
| 325 | H | 25.6 | Very low | 28.7 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | | 61.5 | 124.2 | 99.5 | -91.6 | -66.7 | 0 | 0 | 0 | 115 | | |
| 326 | G | 28.4 | Very low | 29 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | 171.6 | 63.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 327 | E | 24.2 | Very low | 29.1 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | | | trans | -66.3 | 129.5 | 154.5 | -72 | 169.3 | 147.2 | 0 | 0 | 108.2 | | |
| 328 | S | 33.3 | Very low | 29 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -141.1 | 110.4 | 159.6 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 329 | T | 27.6 | Very low | 29.1 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -48 | 140.2 | 157.8 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 330 | N | 29.3 | Very low | 29.2 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | | | trans | -160.6 | 122.8 | 138 | -99.5 | -30.5 | 0 | 0 | 0 | 112.4 | | |
| 331 | A | 29.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | trans | 34.3 | 122.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 332 | G | 24.3 | Very low | 29.3 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | cis | 77.7 | 79 | 35.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 333 | S | 28.6 | Very low | 29 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | | | trans | -169.2 | 140.7 | 147.3 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 334 | Y | 32.7 | Very low | 29.2 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | | | trans | 80.6 | 72.8 | 171.7 | -52.9 | -71.9 | 0 | 0 | 0 | 118.8 | | |
| 335 | L | 27.8 | Very low | 29.4 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -55 | 127.9 | 138.5 | -73.4 | 153.5 | 0 | 0 | 0 | 110.9 | | |
| 336 | V | 30.5 | Very low | 29.5 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -164.7 | 141.2 | 142.3 | 163.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 337 | P | 31.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | | -103.9 | 160.9 | -127.4 | 36.8 | -34 | 0 | 0 | 0 | 116.9 | | |
| 338 | K | 30.1 | Very low | 30 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 133.8 | 175.8 | -69.1 | 170.3 | 176.7 | 172.6 | 0 | 112.6 | F340 | K338-F340 PolarHBondContact O-N 3.47Š|
| 339 | P | 34.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 125.5 | 169.5 | 28.8 | -30.8 | 0 | 0 | 0 | 110.2 | F341 | P339-F341 PolarHBondContact O-N 3.29Š|
| 340 | F | 28.7 | Very low | 30.2 | Very low | 196 Ų | 196 | 149 Ų | 149 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -66.1 | 115 | 167.1 | -75.8 | -92.4 | 0 | 0 | 0 | 108.9 | K338 V342 | K338-F340 PolarHBondContact O-N 3.47Å; F340-V342 PolarHBondContact O-N 3.33Å; F340-V342 VanDerWaalsContact O-N 3.13Å |
| 341 | F | 32.2 | Very low | 30.2 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 99.9 | 162.6 | -84 | -84.6 | 0 | 0 | 0 | 108.4 | P339 K343 | P339-F341 PolarHBondContact O-N 3.29Å; F341-K343 PolarHBondContact O-N 3.49Å |
| 342 | V | 29.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -64.7 | 114.6 | 166 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | F340 | F340-V342 PolarHBondContact O-N 3.33Å; F340-V342 VanDerWaalsContact O-N 3.13Å |
| 343 | K | 26.4 | Very low | 30.6 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | trans | -69.1 | 125.4 | 161.3 | -74.6 | 176.3 | 175.5 | 179.2 | 0 | 107.6 | F341 | F341-K343 PolarHBondContact O-N 3.49Š|
| 344 | S | 29.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 159 Ų | 159 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -143.9 | 156.3 | 172.4 | 94.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 345 | P | 35.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | | -126.8 | 136.4 | -106.6 | 21.4 | 0.3 | 0 | 0 | 0 | 112.9 | E347 | P345-E347 PolarHBondContact O-N 3.47Š|
| 346 | C | 27.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 155.3 Ų | 155.3 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | | | trans | -96.8 | 78.9 | 165.2 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 347 | E | 28.4 | Very low | 30.1 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -142.9 | 104.5 | 155.7 | -84.2 | -150.8 | 167.2 | 0 | 0 | 108.9 | P345 | P345-E347 PolarHBondContact O-N 3.47Š|
| 348 | E | 33.2 | Very low | 30.1 | Very low | 155 Ų | 155 | 154 Ų | 154 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -144.5 | 81.5 | 147 | -108.7 | -170.4 | 150.1 | 0 | 0 | 108.4 | K350 | E348-K350 PolarHBondContact O-N 3.1Å; E348-K350 IonicContact OE1-NZ 3.92Å; E348-K350 PolarHBondContact OE1-NZ 2.94Å |
| 349 | L | 31.2 | Very low | 29.9 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -68.7 | 100.1 | 154.4 | -77.7 | 165.2 | 0 | 0 | 0 | 107.7 | | |
| 350 | K | 35.2 | Very low | 30 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -112.7 | 108.2 | 163.2 | -88.6 | 176.4 | 176.3 | 151.5 | 0 | 110.6 | E348 | E348-K350 PolarHBondContact O-N 3.1Å; E348-K350 IonicContact OE1-NZ 3.92Å; E348-K350 PolarHBondContact OE1-NZ 2.94Å |
| 351 | K | 29.2 | Very low | 29.6 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -62.6 | 132 | 162.3 | -70.2 | 165.4 | 174.2 | 172.2 | 0 | 110.3 | | |
| 352 | S | 34.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -153.5 | 97.1 | 147.7 | 49.6 | 0 | 0 | 0 | 0 | 105.4 | | |
| 353 | Q | 25.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | | 62.2 | 97.6 | 61.9 | -160.5 | 161.6 | -15.4 | 0 | 0 | 115 | | |
| 354 | R | 24.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | | | trans | 90.9 | 130.7 | 136.5 | -89.5 | -174.5 | 178.2 | -172.6 | -0.6 | 121.4 | | |
| 355 | R | 27.5 | Very low | 29.9 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 68% | 0.683 | 77% | 0.767 | S | S | * | * | | | trans | 79.6 | 138.3 | 133.1 | -78.2 | -173 | -173.8 | -179 | -3.9 | 116 | | |
| 356 | D | 30.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | -152.4 | 139.1 | 12.9 | -75.2 | -47.4 | 0 | 0 | 0 | 106.4 | | |
| 357 | S | 26.1 | Very low | 29.6 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | | 55.6 | 132.7 | 85.2 | -154 | 0 | 0 | 0 | 0 | 117.2 | | |
| 358 | V | 32.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | 116.5 | 123.6 | 152.1 | -169.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 359 | D | 26 | Very low | 29.1 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -55.6 | 152.7 | -177.7 | -53 | -74 | 0 | 0 | 0 | 116 | | |
| 360 | T | 36.5 | Very low | 29.1 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -149.7 | 95.3 | 148.5 | -37.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 361 | E | 20.3 | Very low | 28.6 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -76.5 | 146.7 | 150.1 | -97.2 | -146.9 | 152.4 | 0 | 0 | 109.5 | | |
| 362 | P | 35.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -120.7 | 111.2 | 143.4 | 30.1 | -16.3 | 0 | 0 | 0 | 110.4 | | |
| 363 | E | 23.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -55.2 | 128 | 154.4 | -66.3 | -180 | 140.7 | 0 | 0 | 109.6 | | |
| 364 | H | 37.8 | Very low | 28.2 | Very low | 192 Ų | 192 | 145 Ų | 145 | 89% | 0.889 | 77% | 0.769 | S | S | * | * | | | trans | -133.6 | 111.9 | 151.3 | -99.6 | -59.2 | 0 | 0 | 0 | 111.1 | | |
| 365 | H | 26.7 | Very low | 28.5 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | | | trans | -56.6 | 143.2 | 173.5 | -88.1 | -86.3 | 0 | 0 | 0 | 115.1 | | |
| 366 | V | 26.7 | Very low | 28.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | | 68.1 | 111.5 | 129.8 | -174.9 | 0 | 0 | 0 | 0 | 118 | | |
| 367 | S | 29.4 | Very low | 28.4 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | | -167 | 110.4 | 109.7 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 368 | N | 22.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -84.6 | 118.5 | 156.3 | -71.9 | -42.6 | 0 | 0 | 0 | 106.3 | | |
| 369 | H | 28.8 | Very low | 28.8 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -165.2 | 132.4 | 146.2 | -115.9 | -71.7 | 0 | 0 | 0 | 113 | | |
| 370 | T | 30.2 | Very low | 29.1 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 88.9 | 91.3 | 149.5 | -42.2 | 0 | 0 | 0 | 0 | 117.1 | Q372 | T370-Q372 PolarHBondContact O-N 3.25Š|
| 371 | V | 26.5 | Very low | 29 | Very low | 129 Ų | 129 | 144 Ų | 144 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | -42.6 | 119.3 | 148.2 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 372 | Q | 28.4 | Very low | 29.8 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -120.2 | 123 | 152.5 | -101.5 | -176.1 | -6 | 0 | 0 | 108 | T370 | T370-Q372 PolarHBondContact O-N 3.25Š|
| 373 | E | 23.6 | Very low | 29.7 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | -68.8 | 155.5 | 174.3 | -71.4 | 175.3 | 130.6 | 0 | 0 | 112 | | |
| 374 | A | 27.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | 73.2 | 100.4 | 153 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 375 | S | 32.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | | -168.8 | 125.3 | 99.7 | 66 | 0 | 0 | 0 | 0 | 110.8 | | |
| 376 | S | 26.1 | Very low | 30.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | -61 | 134.9 | 156.5 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 377 | D | 30.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | | 173.9 | 150.6 | 129.9 | -80.9 | -20.2 | 0 | 0 | 0 | 111.1 | | |
| 378 | D | 33.9 | Very low | 32.4 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | | | trans | 87 | 80.8 | 162.5 | -58.9 | -18.8 | 0 | 0 | 0 | 121.3 | | |
| 379 | L | 32.4 | Very low | 33.9 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | | 4.1 | 122.7 | 122.7 | -66.3 | 163.8 | 0 | 0 | 0 | 117.6 | | |
| 380 | S | 33 | Very low | 35 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -159.4 | 88.1 | 141.9 | 33.5 | 0 | 0 | 0 | 0 | 110.9 | S382 | S380-S382 PolarHBondContact O-N 3.42Š|
| 381 | F | 34.2 | Very low | 36.1 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | -75.7 | 107.5 | 164.3 | -76.5 | -83.8 | 0 | 0 | 0 | 108.9 | | |
| 382 | S | 35.9 | Very low | 37.7 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -96.4 | 119.6 | 165.4 | -77.8 | 0 | 0 | 0 | 0 | 110.3 | S380 | S380-S382 PolarHBondContact O-N 3.42Š|
| 383 | S | 34.4 | Very low | 39 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -64.3 | 126 | 175.2 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 384 | N | 39.4 | Very low | 40.8 | Very low | 176 Ų | 176 | 128 Ų | 128 | 94% | 0.941 | 75% | 0.752 | S | S | * | * | | | trans | -130.9 | 85.8 | 159 | -86.5 | -21 | 0 | 0 | 0 | 108.1 | | |
| 385 | G | 33.2 | Very low | 42.1 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | -143.9 | 46.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 386 | A | 40.7 | Very low | 43.1 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -124.5 | 16.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 387 | G | 40.1 | Very low | 44.5 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -115.1 | -19.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 388 | L | 46.5 | Very low | 45.7 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -99.1 | -17.7 | -165.6 | -73 | 169.5 | 0 | 0 | 0 | 115.1 | | |
| 389 | D | 54.7 | Low | 46.5 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -78.3 | -32.8 | -171.1 | -68.5 | -23.8 | 0 | 0 | 0 | 114 | Q391 N392 E393 | D389-Q391 PolarHBondContact O-N 3.26Å; D389-N392 PolarHBondContact O-N 3.32Å; D389-E393 PolarHBondContact O-N 3.1Å |
| 390 | Q | 53.2 | Low | 47.1 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -71.3 | -28.4 | -178.9 | -78.9 | -169.7 | 34 | 0 | 0 | 113.9 | R394 | Q390-R394 PolarHBondContact O-N 3.03Å |
| 391 | Q | 53.2 | Low | 47.2 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.7 | -36.3 | 176.8 | -98.3 | -167.2 | -35.1 | 0 | 0 | 111.9 | D389 Q395 | D389-Q391 PolarHBondContact O-N 3.26Å; Q391-Q395 PolarHBondContact O-N 2.75Å |
| 392 | N | 58.5 | Low | 47.6 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -68.5 | -42.8 | 177.5 | -108.6 | -6.7 | 0 | 0 | 0 | 111.7 | D389 R394 Q395 E396 | D389-N392 PolarHBondContact O-N 3.32Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.42Å; N392-Q395 PolarHBondContact O-N 3.42Å; N392-E396 PolarHBondContact O-N 2.99Å; N392-E396 VanDerWaalsContact O-N 3.11Å |
| 393 | E | 56.9 | Low | 47.7 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 49% | 0.486 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -62.4 | -36.1 | 177.4 | -104.8 | -157.4 | 119.7 | 0 | 0 | 113.1 | D389 R397 | D389-E393 PolarHBondContact O-N 3.1Å; E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 3.48Å; E393-R397 IonicContact OE1-CZ 3.91Å; E393-R397 IonicContact OE1-NE 3.73Å; E393-R397 IonicContact OE1-NH2 3.46Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å |
| 394 | R | 61.3 | Low | 47.9 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 70% | 0.698 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.7 | -32.9 | 177.6 | -76.1 | -174.2 | 179.8 | -159.3 | 2.2 | 112.6 | Q390 N392 | Q390-R394 PolarHBondContact O-N 3.03Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.42Å |
| 395 | Q | 54.9 | Low | 47.9 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.6 | -37.2 | 175.7 | -83.6 | -170.5 | -0.5 | 0 | 0 | 112.4 | Q391 N392 N398 R399 | Q391-Q395 PolarHBondContact O-N 2.75Å; N392-Q395 PolarHBondContact O-N 3.42Å; Q395-N398 PolarHBondContact O-N 2.8Å; Q395-R399 PolarHBondContact O-N 3.15Å |
| 396 | E | 52.2 | Low | 47.9 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 60% | 0.603 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.2 | -39.7 | 179.6 | -70.6 | -160.5 | 157.1 | 0 | 0 | 113 | N392 N398 R399 L400 | N392-E396 PolarHBondContact O-N 2.99Å; N392-E396 VanDerWaalsContact O-N 3.11Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 2.69Å; E396-R399 PolarHBondContact O-N 3.24Å; E396-L400 PolarHBondContact O-N 3.06Å |
| 397 | R | 56.6 | Low | 47.5 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.5 | -32.4 | 176.7 | -69.4 | -175.6 | -166.1 | -179.2 | 8.1 | 112.9 | E393 | E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 3.48Å; E393-R397 IonicContact OE1-CZ 3.91Å; E393-R397 IonicContact OE1-NE 3.73Å; E393-R397 IonicContact OE1-NH2 3.46Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å |
| 398 | N | 54.7 | Low | 47.2 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.4 | -31.9 | 177 | -82.3 | -24 | 0 | 0 | 0 | 112.9 | Q395 E396 L400 S401 | Q395-N398 PolarHBondContact O-N 2.8Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 2.69Å; N398-L400 VanDerWaalsContact C-N 3.34Å; N398-L400 PolarHBondContact O-N 3.09Å; N398-S401 PolarHBondContact O-OG 3.29Å |
| 399 | R | 50 | Low | 46.7 | Very low | 186 Ų | 186 | 142 Ų | 142 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.2 | -25.4 | 178.4 | -79 | -177.4 | 167.2 | 159.9 | -0.7 | 114 | Q395 E396 | Q395-R399 PolarHBondContact O-N 3.15Å; E396-R399 PolarHBondContact O-N 3.24Å |
| 400 | L | 45.6 | Very low | 45.7 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 5.6 | -175.8 | -68.6 | 169.4 | 0 | 0 | 0 | 114.5 | E396 N398 F402 | E396-L400 PolarHBondContact O-N 3.06Å; N398-L400 VanDerWaalsContact C-N 3.34Å; N398-L400 PolarHBondContact O-N 3.09Å; L400-F402 PolarHBondContact O-N 2.97Å |
| 401 | S | 35.1 | Very low | 45 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | | | trans | -95.1 | 45.3 | 178.7 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | N398 K403 | N398-S401 PolarHBondContact O-OG 3.29Å; S401-K403 VanDerWaalsContact C-N 3.33Å; S401-K403 PolarHBondContact O-N 3.25Å |
| 402 | F | 43.1 | Very low | 44 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | | | trans | -72.3 | 93.9 | 164.6 | -78.7 | -80.6 | 0 | 0 | 0 | 109.4 | L400 S404 | L400-F402 PolarHBondContact O-N 2.97Å; F402-S404 VanDerWaalsContact C-N 3.35Å; F402-S404 PolarHBondContact O-N 3.41Å |
| 403 | K | 37.8 | Very low | 42.9 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | | | trans | -56.6 | 94.6 | 167 | -73.4 | 175.3 | 171.1 | 175.2 | 0 | 109.2 | S401 K405 | S401-K403 VanDerWaalsContact C-N 3.33Å; S401-K403 PolarHBondContact O-N 3.25Å; K403-K405 PolarHBondContact O-N 2.94Å |
| 404 | S | 38.7 | Very low | 41.7 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | | | trans | -58.2 | 103 | 163 | 173 | 0 | 0 | 0 | 0 | 108 | F402 H406 | F402-S404 VanDerWaalsContact C-N 3.35Å; F402-S404 PolarHBondContact O-N 3.41Å; S404-H406 PolarHBondContact O-N 3.5Å; S404-H406 PolarHBondContact OG-CD2 3.5Å; S404-H406 VanDerWaalsContact OG-CD2 3.3Å; S404-H406 PolarHBondContact OG-CE1 3.38Å; S404-H406 PolarHBondContact OG-NE2 3.04Å |
| 405 | K | 39 | Very low | 40.4 | Very low | 191 Ų | 191 | 145 Ų | 145 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | | | trans | -70.4 | 86.7 | 168.2 | -74.8 | -177.9 | 179.6 | 178.7 | 0 | 107.4 | K403 V407 | K403-K405 PolarHBondContact O-N 2.94Å; K405-V407 PolarHBondContact O-N 3.04Å |
| 406 | H | 33.1 | Very low | 39.4 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | | | trans | -64.8 | 99.3 | 164.8 | -70.1 | -77.8 | 0 | 0 | 0 | 108 | S404 S408 | S404-H406 PolarHBondContact O-N 3.5Å; S404-H406 PolarHBondContact OG-CD2 3.5Å; S404-H406 VanDerWaalsContact OG-CD2 3.3Å; S404-H406 PolarHBondContact OG-CE1 3.38Å; S404-H406 PolarHBondContact OG-NE2 3.04Å; H406-S408 VanDerWaalsContact C-N 3.26Å; H406-S408 PolarHBondContact O-N 3.32Å; H406-S408 VanDerWaalsContact O-N 3.13Å |
| 407 | V | 31.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -81.3 | 82.5 | 166.1 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | K405 F409 | K405-V407 PolarHBondContact O-N 3.04Å; V407-F409 HydrophobicContact CG1-CE1 4.31Å; V407-F409 HydrophobicContact CG1-CE2 4.18Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; V407-F409 PolarHBondContact O-N 3.03Å |
| 408 | S | 33.8 | Very low | 37.1 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | -76.4 | 112.9 | 165.2 | 41.9 | 0 | 0 | 0 | 0 | 108.4 | H406 L410 | H406-S408 VanDerWaalsContact C-N 3.26Å; H406-S408 PolarHBondContact O-N 3.32Å; H406-S408 VanDerWaalsContact O-N 3.13Å; S408-L410 PolarHBondContact O-N 3.17Å |
| 409 | F | 36.6 | Very low | 35.8 | Very low | 185 Ų | 185 | 155 Ų | 155 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | -70.1 | 105.9 | 165.5 | -60.5 | -84.9 | 0 | 0 | 0 | 107.7 | V407 L411 | V407-F409 HydrophobicContact CG1-CE1 4.31Å; V407-F409 HydrophobicContact CG1-CE2 4.18Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; V407-F409 PolarHBondContact O-N 3.03Å; F409-L411 PolarHBondContact O-N 3.24Å; F409-L411 VanDerWaalsContact O-N 3.15Å |
| 410 | L | 34 | Very low | 34.7 | Very low | 152 Ų | 152 | 152 Ų | 152 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -62.8 | 108.3 | 161.7 | -91.8 | 144.4 | 0 | 0 | 0 | 107.2 | S408 N412 | S408-L410 PolarHBondContact O-N 3.17Å; L410-N412 PolarHBondContact O-N 3.41Å; L410-N412 VanDerWaalsContact O-N 3.11Å |
| 411 | L | 38.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -65.8 | 102.9 | 159.3 | -80.9 | 157.4 | 0 | 0 | 0 | 105.9 | F409 N413 | F409-L411 PolarHBondContact O-N 3.24Å; F409-L411 VanDerWaalsContact O-N 3.15Å; L411-N413 VanDerWaalsContact C-N 3.3Å; L411-N413 PolarHBondContact O-N 2.9Å |
| 412 | N | 32.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | | | trans | -60.6 | 98.6 | 166.8 | -73.8 | -7.9 | 0 | 0 | 0 | 107.4 | L410 D414 | L410-N412 PolarHBondContact O-N 3.41Å; L410-N412 VanDerWaalsContact O-N 3.11Å; N412-D414 PolarHBondContact O-N 3.05Å |
| 413 | N | 35.3 | Very low | 32.8 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | -74.1 | 72.7 | 159.2 | -76.3 | -22.2 | 0 | 0 | 0 | 107.1 | L411 Q415 | L411-N413 VanDerWaalsContact C-N 3.3Å; L411-N413 PolarHBondContact O-N 2.9Å; N413-Q415 PolarHBondContact O-N 2.96Å |
| 414 | D | 31.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | -74.5 | 65.2 | 161.9 | -69.1 | -33.5 | 0 | 0 | 0 | 107.6 | N412 K416 | N412-D414 PolarHBondContact O-N 3.05Å; D414-K416 VanDerWaalsContact C-N 3.28Å; D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 VanDerWaalsContact O-N 3.17Å |
| 415 | Q | 34.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -76.9 | 91.2 | 158.8 | -87 | -174.3 | -5.6 | 0 | 0 | 106.3 | N413 E417 | N413-Q415 PolarHBondContact O-N 2.96Å; Q415-E417 PolarHBondContact O-N 3.46Å |
| 416 | K | 33.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 113.8 | 156.8 | -73.7 | -169.5 | 173.3 | -172.5 | 0 | 107.2 | D414 E418 | D414-K416 VanDerWaalsContact C-N 3.28Å; D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 VanDerWaalsContact O-N 3.17Å; K416-E418 PolarHBondContact O-N 3.34Å; K416-E418 VanDerWaalsContact O-N 3.13Å |
| 417 | E | 27.8 | Very low | 30.9 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | | | trans | -49.5 | 108.5 | 158.3 | -65.9 | 177.3 | 144.1 | 0 | 0 | 108.4 | Q415 | Q415-E417 PolarHBondContact O-N 3.46Š|
| 418 | E | 33.1 | Very low | 30.8 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -107.8 | 117.9 | 156.4 | -100.8 | -175 | 170.9 | 0 | 0 | 107.6 | K416 | K416-E418 PolarHBondContact O-N 3.34Å; K416-E418 VanDerWaalsContact O-N 3.13Å |
| 419 | E | 27.1 | Very low | 30.8 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -57.9 | 138.9 | -179.6 | -90.6 | 177.4 | 124.2 | 0 | 0 | 114.5 | | |
| 420 | L | 27.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | | | trans | 76.8 | 156.6 | 136.4 | -67.2 | 168.7 | 0 | 0 | 0 | 119.3 | | |
| 421 | P | 33.3 | Very low | 30 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | cis | -128.2 | 158.6 | 13.1 | 33.4 | -13.6 | 0 | 0 | 0 | 117.2 | | |
| 422 | N | 24.2 | Very low | 29.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | | | trans | -42.3 | 130.8 | 169.1 | -75.4 | -37.8 | 0 | 0 | 0 | 114.6 | | |
| 423 | C | 25.7 | Very low | 29.9 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -121.3 | 90.7 | 148.9 | -105 | 0 | 0 | 0 | 0 | 108.5 | T425 | C423-T425 PolarHBondContact O-N 2.74Š|
| 424 | N | 23.1 | Very low | 30 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | | | trans | -80.5 | 104.1 | 160.4 | -78.8 | -19.5 | 0 | 0 | 0 | 107.7 | | |
| 425 | T | 34 | Very low | 30.4 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -131 | 96.3 | 154.6 | 1 | 0 | 0 | 0 | 0 | 107.6 | C423 | C423-T425 PolarHBondContact O-N 2.74Š|
| 426 | S | 23.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -71.7 | 129.1 | 161.9 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 427 | A | 28.9 | Very low | 30.9 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 163.5 | 103.2 | 135.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 428 | A | 28.5 | Very low | 31.5 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | 38.5 | 106.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 429 | A | 34.5 | Very low | 32 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -155.2 | 136.6 | 130.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 430 | K | 28 | Very low | 33 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | | | trans | -78 | 136.8 | -163 | -67.8 | 172.8 | 167.6 | 179.3 | 0 | 114.1 | | |
| 431 | G | 26 | Very low | 34.2 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | | 63.5 | 99.1 | 127.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 432 | V | 36.4 | Very low | 34.8 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 90% | 0.903 | 77% | 0.767 | S | S | * | * | | | trans | -143.6 | 129 | 137.9 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 433 | D | 31.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -33.7 | 121 | -167.1 | -81.2 | -48.5 | 0 | 0 | 0 | 117.3 | S435 | D433-S435 PolarHBondContact O-N 2.83Š|
| 434 | E | 36.7 | Very low | 37 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | trans | -58.8 | 99.1 | 158.7 | -74.8 | 179.5 | 157.5 | 0 | 0 | 108.9 | Q436 | E434-Q436 VanDerWaalsContact C-N 3.27Å; E434-Q436 PolarHBondContact O-N 3.3Å |
| 435 | S | 41 | Very low | 38.1 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -61.8 | 95.7 | 162.9 | -58.1 | 0 | 0 | 0 | 0 | 107.4 | D433 T437 | D433-S435 PolarHBondContact O-N 2.83Å; S435-T437 PolarHBondContact O-N 3.45Å |
| 436 | Q | 39.6 | Very low | 38.4 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | trans | -15.8 | 88.4 | 171.9 | -127 | 168.5 | 14.5 | 0 | 0 | 112.8 | E434 F438 | E434-Q436 VanDerWaalsContact C-N 3.27Å; E434-Q436 PolarHBondContact O-N 3.3Å; Q436-F438 VanDerWaalsContact C-N 3.33Å; Q436-F438 HydrophobicContact CB-CE2 4.2Å; Q436-F438 WeakPolarHBondContact O-CD2 3.47Å; Q436-F438 PolarHBondContact O-N 2.71Å |
| 437 | T | 37.9 | Very low | 39.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | | | trans | -75.9 | 93.5 | 172.1 | 24.8 | 0 | 0 | 0 | 0 | 106.3 | S435 R439 | S435-T437 PolarHBondContact O-N 3.45Å; T437-R439 PolarHBondContact O-N 3.15Å; T437-R439 VanDerWaalsContact O-N 3.09Å |
| 438 | F | 40.1 | Very low | 40.3 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 58% | 0.579 | 72% | 0.72 | S | S | * | * | | | trans | -57.9 | 112 | 179.6 | -82.4 | -88.9 | 0 | 0 | 0 | 110.5 | Q436 | Q436-F438 VanDerWaalsContact C-N 3.33Å; Q436-F438 HydrophobicContact CB-CE2 4.2Å; Q436-F438 WeakPolarHBondContact O-CD2 3.47Å; Q436-F438 PolarHBondContact O-N 2.71Å |
| 439 | R | 44.4 | Very low | 41.3 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 65% | 0.653 | 71% | 0.714 | S | S | * | * | | | trans | -76.5 | 127.3 | 166.5 | -73.7 | -160.6 | 173.8 | 177.6 | 1.3 | 108.9 | T437 E441 D442 | T437-R439 PolarHBondContact O-N 3.15Å; T437-R439 VanDerWaalsContact O-N 3.09Å; R439-E441 PolarHBondContact O-N 3.11Å; R439-D442 PolarHBondContact O-N 2.98Å; R439-D442 VanDerWaalsContact O-N 3.09Å |
| 440 | L | 48.6 | Very low | 42.4 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.1 | 178.8 | -140.1 | 97.9 | 0 | 0 | 0 | 112.8 | D442 L443 | L440-D442 PolarHBondContact O-N 3.17Å; L440-L443 WeakPolarHBondContact O-CB 3.5Å; L440-L443 PolarHBondContact O-N 3.13Å; L440-L443 VanDerWaalsContact O-N 3.1Å |
| 441 | E | 52.1 | Low | 43.5 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.6 | -30.9 | 176.6 | -62.3 | 175.4 | -153 | 0 | 0 | 112.1 | R439 L443 L444 H445 | R439-E441 PolarHBondContact O-N 3.11Å; E441-L443 VanDerWaalsContact C-N 3.28Å; E441-L443 PolarHBondContact O-N 3.47Å; E441-L444 PolarHBondContact O-N 3.17Å; E441-H445 PolarHBondContact O-ND1 3.42Å |
| 442 | D | 45.1 | Very low | 44.9 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.8 | -23.7 | 176.8 | -65.3 | -22.9 | 0 | 0 | 0 | 112.5 | R439 L440 G446 | R439-D442 PolarHBondContact O-N 2.98Å; R439-D442 VanDerWaalsContact O-N 3.09Å; L440-D442 PolarHBondContact O-N 3.17Å; D442-G446 PolarHBondContact O-N 2.99Å |
| 443 | L | 47.1 | Very low | 46 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -75.8 | -24.9 | 175 | -92.3 | 108 | 0 | 0 | 0 | 113.2 | L440 E441 A451 | L440-L443 WeakPolarHBondContact O-CB 3.5Å; L440-L443 PolarHBondContact O-N 3.13Å; L440-L443 VanDerWaalsContact O-N 3.1Å; E441-L443 VanDerWaalsContact C-N 3.28Å; E441-L443 PolarHBondContact O-N 3.47Å; L443-A451 HydrophobicContact CD2-CB 3.8Å |
| 444 | L | 49.3 | Very low | 47.4 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83 | -26.3 | -179.2 | -71.9 | 168.1 | 0 | 0 | 0 | 112.2 | E441 | E441-L444 PolarHBondContact O-N 3.17Å |
| 445 | H | 47.2 | Very low | 48.8 | Very low | 169 Ų | 169 | 112.6 Ų | 112.6 | 78% | 0.782 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -89.7 | -21.8 | 179.2 | -64.8 | 85 | 0 | 0 | 0 | 113.1 | E441 | E441-H445 PolarHBondContact O-ND1 3.42Å |
| 446 | G | 39 | Very low | 50 | Low | 28 Ų | 28 | 113.8 Ų | 113.8 | 29% | 0.289 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -103.8 | 89.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D442 T450 | D442-G446 PolarHBondContact O-N 2.99Å; G446-T450 PolarHBondContact O-OG1 3.35Å |
| 447 | G | 46.3 | Very low | 51.4 | Low | 56 Ų | 56 | 112 Ų | 112 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | | | trans | -35.8 | 144.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | V449 T450 | G447-V449 PolarHBondContact O-N 3.37Å; G447-T450 PolarHBondContact O-N 3.46Å; G447-T450 VanDerWaalsContact O-N 3.12Å; G447-T450 PolarHBondContact O-OG1 2.92Å; G447-T450 VanDerWaalsContact O-OG1 3.14Å |
| 448 | N | 46 | Very low | 52.6 | Low | 151 Ų | 151 | 108.3 Ų | 108.3 | 81% | 0.807 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -23.6 | -24.6 | -173.3 | -67.3 | -19.4 | 0 | 0 | 0 | 120.3 | K452 | N448-K452 PolarHBondContact O-N 3.26Š|
| 449 | V | 50.5 | Low | 53.7 | Low | 121 Ų | 121 | 106.7 Ų | 106.7 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 178.6 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | G447 K452 A453 | G447-V449 PolarHBondContact O-N 3.37Å; V449-K452 PolarHBondContact O-N 3.3Å; V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.48Å |
| 450 | T | 58.3 | Low | 54.6 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 42% | 0.423 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.8 | -38 | -177.7 | -19.3 | 0 | 0 | 0 | 0 | 112.1 | G446 G447 K454 | G446-T450 PolarHBondContact O-OG1 3.35Å; G447-T450 PolarHBondContact O-N 3.46Å; G447-T450 VanDerWaalsContact O-N 3.12Å; G447-T450 PolarHBondContact O-OG1 2.92Å; G447-T450 VanDerWaalsContact O-OG1 3.14Å; T450-K454 WeakPolarHBondContact O-CB 3.5Å; T450-K454 WeakPolarHBondContact O-CG 3.32Å; T450-K454 PolarHBondContact O-N 2.85Å |
| 451 | A | 50.1 | Low | 55 | Low | 36 Ų | 36 | 99.2 Ų | 99.2 | 30% | 0.298 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L443 L455 | L443-A451 HydrophobicContact CD2-CB 3.8Å; A451-L455 WeakPolarHBondContact O-CB 3.48Å; A451-L455 PolarHBondContact O-N 2.82Å |
| 452 | K | 55.6 | Low | 55.2 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68 | -42.4 | 180 | -159.7 | 178.7 | -176.4 | -178.5 | 0 | 111.6 | N448 V449 L455 F456 | N448-K452 PolarHBondContact O-N 3.26Å; V449-K452 PolarHBondContact O-N 3.3Å; K452-L455 PolarHBondContact O-N 3.01Å; K452-F456 HydrophobicContact CD-CE2 4.39Å; K452-F456 HydrophobicContact CG-CD2 4.26Å; K452-F456 HydrophobicContact CG-CE2 3.85Å; K452-F456 WeakPolarHBondContact O-CD2 3.26Å; K452-F456 PolarHBondContact O-N 3.09Å; K452-F456 VanDerWaalsContact O-N 3.17Å |
| 453 | A | 60.4 | Low | 55.6 | Low | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V449 L455 F456 E457 | V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.48Å; A453-L455 PolarHBondContact O-N 3Å; A453-F456 PolarHBondContact O-N 3.14Å; A453-E457 PolarHBondContact O-N 3.31Å |
| 454 | K | 60.7 | Low | 55.7 | Low | 114 Ų | 114 | 102.5 Ų | 102.5 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -29.9 | 177.6 | -74.6 | -174.3 | 175.3 | -173.8 | 0 | 113.3 | T450 F456 E457 A458 | T450-K454 WeakPolarHBondContact O-CB 3.5Å; T450-K454 WeakPolarHBondContact O-CG 3.32Å; T450-K454 PolarHBondContact O-N 2.85Å; K454-F456 VanDerWaalsContact C-N 3.35Å; K454-E457 PolarHBondContact O-N 3.12Å; K454-A458 WeakPolarHBondContact O-CB 3.39Å; K454-A458 PolarHBondContact O-N 3.1Å |
| 455 | L | 66.1 | Low | 55.6 | Low | 110 Ų | 110 | 98.9 Ų | 98.9 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -39.8 | 171.6 | -125.2 | 153.6 | 0 | 0 | 0 | 111.4 | A451 K452 A453 L459 | A451-L455 WeakPolarHBondContact O-CB 3.48Å; A451-L455 PolarHBondContact O-N 2.82Å; K452-L455 PolarHBondContact O-N 3.01Å; A453-L455 PolarHBondContact O-N 3Å; L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CD2-CG 4.41Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.39Å |
| 456 | F | 64.9 | Low | 55.2 | Low | 132 Ų | 132 | 95.7 Ų | 95.7 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.7 | -35.7 | 173.7 | -77.5 | -64.9 | 0 | 0 | 0 | 112.7 | K452 A453 K454 L459 A460 | K452-F456 HydrophobicContact CD-CE2 4.39Å; K452-F456 HydrophobicContact CG-CD2 4.26Å; K452-F456 HydrophobicContact CG-CE2 3.85Å; K452-F456 WeakPolarHBondContact O-CD2 3.26Å; K452-F456 PolarHBondContact O-N 3.09Å; K452-F456 VanDerWaalsContact O-N 3.17Å; A453-F456 PolarHBondContact O-N 3.14Å; K454-F456 VanDerWaalsContact C-N 3.35Å; F456-L459 PolarHBondContact O-N 3.03Å; F456-A460 VanDerWaalsContact O-CB 3.32Å; F456-A460 WeakPolarHBondContact O-CB 3.31Å; F456-A460 PolarHBondContact O-N 3.09Å |
| 457 | E | 69.1 | Low | 55.3 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 55% | 0.547 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.1 | -42.6 | 175 | -167.5 | 174.8 | -174.5 | 0 | 0 | 112.1 | A453 K454 L459 A460 N461 | A453-E457 PolarHBondContact O-N 3.31Å; K454-E457 PolarHBondContact O-N 3.12Å; E457-L459 PolarHBondContact O-N 2.64Å; E457-A460 PolarHBondContact O-N 2.85Å; E457-N461 PolarHBondContact O-N 3.34Å; E457-N461 PolarHBondContact O-ND2 3.39Å |
| 458 | A | 63.5 | Low | 54.6 | Low | 54 Ų | 54 | 106.9 Ų | 106.9 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | K454 A460 N461 D462 | K454-A458 WeakPolarHBondContact O-CB 3.39Å; K454-A458 PolarHBondContact O-N 3.1Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.27Å; A458-N461 PolarHBondContact O-N 2.99Å; A458-D462 PolarHBondContact O-N 3.04Å |
| 459 | L | 63.7 | Low | 54 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -28.7 | 177.1 | -70.5 | 170.1 | 0 | 0 | 0 | 113.2 | L455 F456 E457 | L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CD2-CG 4.41Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.39Å; F456-L459 PolarHBondContact O-N 3.03Å; E457-L459 PolarHBondContact O-N 2.64Å |
| 460 | A | 63.7 | Low | 52.9 | Low | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.6 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F456 E457 A458 K463 | F456-A460 VanDerWaalsContact O-CB 3.32Å; F456-A460 WeakPolarHBondContact O-CB 3.31Å; F456-A460 PolarHBondContact O-N 3.09Å; E457-A460 PolarHBondContact O-N 2.85Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.27Å; A460-K463 PolarHBondContact O-N 3.45Å |
| 461 | N | 56.1 | Low | 51.7 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.6 | -30.2 | 178.5 | -70.9 | -23.5 | 0 | 0 | 0 | 112.9 | E457 A458 K463 N464 S465 | E457-N461 PolarHBondContact O-N 3.34Å; E457-N461 PolarHBondContact O-ND2 3.39Å; A458-N461 PolarHBondContact O-N 2.99Å; N461-K463 PolarHBondContact O-N 3.27Å; N461-N464 PolarHBondContact O-N 3.44Å; N461-N464 VanDerWaalsContact O-N 3.09Å; N461-S465 PolarHBondContact O-N 2.89Å |
| 462 | D | 56.5 | Low | 50.7 | Low | 100 Ų | 100 | 113 Ų | 113 | 54% | 0.535 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62 | -27.8 | 174.3 | -91.3 | -11 | 0 | 0 | 0 | 113.3 | A458 N464 S465 S466 | A458-D462 PolarHBondContact O-N 3.04Å; D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.13Å; D462-S465 PolarHBondContact O-OG 2.9Å; D462-S466 WeakPolarHBondContact O-CB 3.33Å; D462-S466 PolarHBondContact O-N 3.21Å |
| 463 | K | 53.2 | Low | 49.5 | Very low | 172 Ų | 172 | 112 Ų | 112 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.6 | -22.3 | 176.1 | -71.5 | -167.3 | 176.7 | -175 | 0 | 113.6 | A460 N461 | A460-K463 PolarHBondContact O-N 3.45Å; N461-K463 PolarHBondContact O-N 3.27Å |
| 464 | N | 49 | Very low | 47.8 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 68% | 0.684 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -101.7 | -17.1 | 177.8 | -75.3 | -9.2 | 0 | 0 | 0 | 113.4 | N461 D462 | N461-N464 PolarHBondContact O-N 3.44Å; N461-N464 VanDerWaalsContact O-N 3.09Å; D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.13Å |
| 465 | S | 46.9 | Very low | 46.3 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 48% | 0.483 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -80.2 | -30.7 | 173.4 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | N461 D462 S467 | N461-S465 PolarHBondContact O-N 2.89Å; D462-S465 PolarHBondContact O-OG 2.9Å; S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 2.98Å |
| 466 | S | 40.7 | Very low | 44.6 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -6.5 | -174.6 | -160.5 | 0 | 0 | 0 | 0 | 114.9 | D462 | D462-S466 WeakPolarHBondContact O-CB 3.33Å; D462-S466 PolarHBondContact O-N 3.21Å |
| 467 | S | 39.2 | Very low | 42.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 13.4 | -178.8 | 69.2 | 0 | 0 | 0 | 0 | 115.5 | S465 | S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 2.98Å |
| 468 | R | 33.4 | Very low | 40.7 | Very low | 227 Ų | 227 | 124.5 Ų | 124.5 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -124.4 | 7.7 | 177.3 | -70.5 | -171 | 99 | -175.4 | 6.9 | 116.5 | | |
| 469 | T | 32.1 | Very low | 39.6 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -135.9 | 126.7 | 173.3 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 470 | A | 28.7 | Very low | 37.7 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 102 | 125.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 471 | V | 32.7 | Very low | 36 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | | | trans | 81.6 | 60.7 | 175.3 | -150.6 | 0 | 0 | 0 | 0 | 115.5 | D473 | V471-D473 HydrophobicContact CG1-CB 4.44Å; V471-D473 VanDerWaalsContact CG1-OD2 3.31Å; V471-D473 WeakPolarHBondContact CG1-OD2 3.41Å |
| 472 | N | 28.2 | Very low | 34.7 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | | | trans | -104.4 | 93.6 | 131.5 | -144.7 | 7.9 | 0 | 0 | 0 | 106.4 | | |
| 473 | D | 30.5 | Very low | 33.2 | Very low | 120 Ų | 120 | 139 Ų | 139 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | | | trans | -63.3 | 143.9 | -177.6 | -93.6 | -37.6 | 0 | 0 | 0 | 111.9 | V471 R475 | V471-D473 HydrophobicContact CG1-CB 4.44Å; V471-D473 VanDerWaalsContact CG1-OD2 3.31Å; V471-D473 WeakPolarHBondContact CG1-OD2 3.41Å; D473-R475 PolarHBondContact O-N 3.42Å |
| 474 | H | 25.7 | Very low | 31.9 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -40.2 | 106 | 157.3 | -66.2 | -82.9 | 0 | 0 | 0 | 111.9 | | |
| 475 | R | 28 | Very low | 31 | Very low | 237 Ų | 237 | 140.6 Ų | 140.6 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | -120.3 | 85.8 | 150.5 | -152.2 | 174.8 | -170.4 | -162.9 | 2.1 | 110.4 | D473 | D473-R475 PolarHBondContact O-N 3.42Š|
| 476 | S | 30 | Very low | 30.1 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | trans | -9.8 | 134.3 | 139.7 | 54.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 477 | K | 29 | Very low | 29.6 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | 86.2 | 92.4 | 146.8 | -65.8 | 175.2 | 179.3 | -174.9 | 0 | 119.4 | | |
| 478 | G | 23 | Very low | 29.2 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | | 94.3 | 155.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 479 | P | 42 | Very low | 29.2 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | | | cis | -123.5 | 165.4 | -44.6 | 36.9 | -23.9 | 0 | 0 | 0 | 112.3 | W481 | P479-W481 PolarHBondContact O-N 3.3Å; P479-W481 VanDerWaalsContact O-N 3.1Å |
| 480 | S | 23.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -25.1 | 104.5 | 161.1 | 165.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 481 | W | 28.7 | Very low | 29.2 | Very low | 238 Ų | 238 | 145.2 Ų | 145.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -89 | 107.4 | 151.4 | -77.2 | 86.6 | 0 | 0 | 0 | 108.1 | P479 | P479-W481 PolarHBondContact O-N 3.3Å; P479-W481 VanDerWaalsContact O-N 3.1Å |
| 482 | Q | 27.9 | Very low | 29 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -56.1 | 135.8 | 164.9 | -72.2 | 166.2 | -23.7 | 0 | 0 | 109.8 | N484 | Q482-N484 PolarHBondContact O-N 2.88Š|
| 483 | S | 24.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 22.9 | 96.6 | 142.3 | 174.8 | 0 | 0 | 0 | 0 | 117 | | |
| 484 | N | 27.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -100.8 | 87.2 | 142.4 | -98.4 | -18.1 | 0 | 0 | 0 | 107.7 | Q482 | Q482-N484 PolarHBondContact O-N 2.88Š|
| 485 | K | 28.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | | | trans | -66.1 | 148.4 | 141.7 | -82.2 | 177.8 | 173 | 178 | 0 | 106.5 | | |
| 486 | D | 28.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | 90 | 62.4 | 175.7 | -46.9 | -25.5 | 0 | 0 | 0 | 115.8 | | |
| 487 | S | 30.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -147.2 | 54.9 | 144.9 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 488 | A | 29.9 | Very low | 29.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -114.2 | 20.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 489 | A | 33.7 | Very low | 30.4 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -141.8 | 134 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 490 | Q | 27 | Very low | 30 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 80 | 85.5 | -160.4 | -51.4 | 177.6 | 6.3 | 0 | 0 | 110.4 | | |
| 491 | I | 34 | Very low | 30.4 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | | -150 | 99 | 70.2 | -68.1 | 138.4 | 0 | 0 | 0 | 108.2 | | |
| 492 | S | 28.9 | Very low | 30.6 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -119.1 | 95.8 | 155.4 | 67.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 493 | S | 31.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 153.7 Ų | 153.7 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | 165.5 | 67.9 | 161 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 494 | F | 34 | Very low | 31.2 | Very low | 185 Ų | 185 | 158.7 Ų | 158.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -129.1 | 62.9 | 149.1 | -91 | -79.4 | 0 | 0 | 0 | 108.1 | H496 | F494-H496 PolarHBondContact O-N 2.97Å; F494-H496 VanDerWaalsContact O-N 3.14Å |
| 495 | T | 33.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -71.9 | 86.9 | 153.4 | 42.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 496 | H | 32.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -112.6 | 89.5 | 148.8 | -89.9 | -50.9 | 0 | 0 | 0 | 108.3 | F494 R498 | F494-H496 PolarHBondContact O-N 2.97Å; F494-H496 VanDerWaalsContact O-N 3.14Å; H496-R498 PolarHBondContact O-N 2.92Å |
| 497 | E | 25.9 | Very low | 31.8 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -46.3 | 117.4 | 142.7 | -77.1 | 175.4 | 121.8 | 0 | 0 | 109.4 | | |
| 498 | R | 33 | Very low | 31.9 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -138.4 | 81.3 | 140.9 | -82.9 | -165.4 | 176.3 | 171.9 | -1 | 108.7 | H496 N500 | H496-R498 PolarHBondContact O-N 2.92Å; R498-N500 PolarHBondContact O-N 2.93Å |
| 499 | T | 33 | Very low | 32.2 | Very low | 119 Ų | 119 | 164.9 Ų | 164.9 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | -17.4 | 107.4 | 144.6 | 39.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 500 | N | 33.5 | Very low | 32.2 | Very low | 163 Ų | 163 | 170.4 Ų | 170.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -144.2 | 33.3 | 152.8 | -94 | -34.4 | 0 | 0 | 0 | 110.6 | R498 R502 | R498-N500 PolarHBondContact O-N 2.93Å; N500-R502 PolarHBondContact O-N 2.89Å |
| 501 | Q | 31.7 | Very low | 32.6 | Very low | 189 Ų | 189 | 166.2 Ų | 166.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -75.6 | 111.1 | 154.1 | -78.9 | -171.9 | -11.1 | 0 | 0 | 107 | R503 | Q501-R503 VanDerWaalsContact C-N 3.29Å; Q501-R503 PolarHBondContact O-N 3.33Å |
| 502 | R | 33.9 | Very low | 32.6 | Very low | 238 Ų | 238 | 168.6 Ų | 168.6 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -56.6 | 99.4 | 163.4 | -87.1 | -177.7 | 177 | -177.6 | -1.4 | 107.9 | N500 F504 | N500-R502 PolarHBondContact O-N 2.89Å; R502-F504 PolarHBondContact O-N 3.07Å; R502-F504 VanDerWaalsContact O-N 3.15Å |
| 503 | R | 29.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 170.3 Ų | 170.3 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | | | trans | -62.3 | 103.6 | 166.3 | -157.9 | 178.7 | -168.6 | 155.9 | 2.3 | 106.7 | Q501 E505 | Q501-R503 VanDerWaalsContact C-N 3.29Å; Q501-R503 PolarHBondContact O-N 3.33Å; R503-E505 VanDerWaalsContact C-N 3.27Å; R503-E505 HydrophobicContact CB-CG 4.44Å; R503-E505 WeakPolarHBondContact CD-OE1 3.22Å; R503-E505 HydrophobicContact CG-CG 3.82Å; R503-E505 IonicContact NE-OE1 3.64Å; R503-E505 PolarHBondContact O-N 2.83Å; R503-E505 VanDerWaalsContact O-N 3.14Å |
| 504 | F | 34.9 | Very low | 33 | Very low | 201 Ų | 201 | 173.6 Ų | 173.6 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -74 | 95.2 | 157.6 | -102.4 | -86.8 | 0 | 0 | 0 | 105.6 | R502 S506 | R502-F504 PolarHBondContact O-N 3.07Å; R502-F504 VanDerWaalsContact O-N 3.15Å; F504-S506 PolarHBondContact O-N 3.15Å |
| 505 | E | 32.4 | Very low | 33.2 | Very low | 144 Ų | 144 | 170 Ų | 170 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | | | trans | -68.4 | 122.5 | 168.1 | -67.5 | -172.4 | 164.4 | 0 | 0 | 108.5 | R503 | R503-E505 VanDerWaalsContact C-N 3.27Å; R503-E505 HydrophobicContact CB-CG 4.44Å; R503-E505 WeakPolarHBondContact CD-OE1 3.22Å; R503-E505 HydrophobicContact CG-CG 3.82Å; R503-E505 IonicContact NE-OE1 3.64Å; R503-E505 PolarHBondContact O-N 2.83Å; R503-E505 VanDerWaalsContact O-N 3.14Å |
| 506 | S | 33 | Very low | 33.7 | Very low | 106 Ų | 106 | 173.8 Ų | 173.8 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -52.4 | 130.5 | 169.2 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | F504 | F504-S506 PolarHBondContact O-N 3.15Š|
| 507 | R | 32.1 | Very low | 33.9 | Very low | 233 Ų | 233 | 172.4 Ų | 172.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -169.3 | 137.5 | 143.2 | -104.9 | 161.3 | -163.8 | -169.3 | 4.6 | 111.4 | | |
| 508 | D | 32.7 | Very low | 34.2 | Very low | 134 Ų | 134 | 171.4 Ų | 171.4 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 84 | 59.7 | 157.6 | -45.8 | -21.4 | 0 | 0 | 0 | 119 | | |
| 509 | Y | 35.2 | Very low | 34.2 | Very low | 225 Ų | 225 | 169.1 Ų | 169.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -146.1 | 37.6 | 137.4 | -88.4 | -71.3 | 0 | 0 | 0 | 111.8 | S511 | Y509-S511 PolarHBondContact O-N 2.68Š|
| 510 | E | 35 | Very low | 34.2 | Very low | 196 Ų | 196 | 174.7 Ų | 174.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -82.3 | 69.9 | 157.9 | -74.3 | -176 | 168.5 | 0 | 0 | 108.9 | | |
| 511 | S | 34.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 173.9 Ų | 173.9 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -153.3 | 44.7 | 167.8 | -78 | 0 | 0 | 0 | 0 | 111.3 | Y509 | Y509-S511 PolarHBondContact O-N 2.68Š|
| 512 | Y | 34.7 | Very low | 34.2 | Very low | 206 Ų | 206 | 170 Ų | 170 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -130.5 | 67.2 | 149.8 | -82.6 | -75.2 | 0 | 0 | 0 | 108.4 | K514 | Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 2.79Å |
| 513 | N | 32.7 | Very low | 34.2 | Very low | 148 Ų | 148 | 164.8 Ų | 164.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -60.5 | 89.2 | 165.9 | -163.2 | -3.4 | 0 | 0 | 0 | 108.6 | | |
| 514 | K | 35 | Very low | 34.4 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | | | trans | -98.1 | 80.8 | 166.3 | -80.1 | -176.3 | 179.6 | -178.6 | 0 | 108.1 | Y512 W516 | Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 2.79Å; K514-W516 PolarHBondContact O-N 2.89Å |
| 515 | S | 37.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 162.2 Ų | 162.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 47.5 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 516 | W | 45.1 | Very low | 34.3 | Very low | 208 Ų | 208 | 164.2 Ų | 164.2 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | -0.7 | 171.5 | 80.5 | -61.7 | 0 | 0 | 0 | 114.4 | K514 | K514-W516 PolarHBondContact O-N 2.89Š|
| 517 | L | 36.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 167 Ų | 167 | 71% | 0.707 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -114.7 | 58.8 | 167.6 | -104.2 | 87.8 | 0 | 0 | 0 | 109.6 | | |
| 518 | D | 32 | Very low | 34.4 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -157.4 | 131.1 | 151.6 | -118.1 | -19.9 | 0 | 0 | 0 | 114.1 | | |
| 519 | K | 34.2 | Very low | 34.5 | Very low | 186 Ų | 186 | 163.9 Ų | 163.9 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 104.2 | 106 | 162.4 | -58.4 | 171.8 | -174.8 | -177.7 | 0 | 116.6 | | |
| 520 | R | 33 | Very low | 34.4 | Very low | 235 Ų | 235 | 158.9 Ų | 158.9 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 109.7 | 62.7 | 152.1 | -56.7 | -178.6 | -174.7 | -167.7 | 1.6 | 116.2 | | |
| 521 | T | 34.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 156 Ų | 156 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | | -164.6 | 110.9 | 125.6 | 4.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 522 | S | 30.2 | Very low | 34.5 | Very low | 108 Ų | 108 | 156.6 Ų | 156.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -70.1 | 122.8 | 165.3 | 57.9 | 0 | 0 | 0 | 0 | 110 | | |
| 523 | T | 33.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | 167.2 | 140.7 | 133 | 33.4 | 0 | 0 | 0 | 0 | 110 | R525 | T523-R525 PolarHBondContact O-N 2.91Š|
| 524 | P | 32.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -85.4 | 109.9 | -165.5 | 33.4 | -30.2 | 0 | 0 | 0 | 110.2 | | |
| 525 | R | 31.6 | Very low | 34 | Very low | 224 Ų | 224 | 154.9 Ų | 154.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -111.2 | 111.7 | 172 | -97.6 | -170.8 | 171.5 | 161.6 | -1.8 | 110.6 | T523 | T523-R525 PolarHBondContact O-N 2.91Š|
| 526 | F | 34.6 | Very low | 33.7 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | | | trans | 46.2 | 96.4 | 152.4 | -60.6 | -78.7 | 0 | 0 | 0 | 117.4 | S528 | F526-S528 PolarHBondContact O-N 2.98Š|
| 527 | Q | 33.7 | Very low | 33.1 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -61.4 | 100.9 | 151.8 | -71.4 | 176.6 | -16.4 | 0 | 0 | 108.3 | Y529 | Q527-Y529 PolarHBondContact O-N 2.89Š|
| 528 | S | 33.4 | Very low | 33.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 106.9 | 168.2 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | F526 | F526-S528 PolarHBondContact O-N 2.98Š|
| 529 | Y | 34 | Very low | 33.1 | Very low | 187 Ų | 187 | 150 Ų | 150 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 145.9 | 165.5 | -73.1 | -89.2 | 0 | 0 | 0 | 110.1 | Q527 L531 | Q527-Y529 PolarHBondContact O-N 2.89Å; Y529-L531 PolarHBondContact O-N 2.92Å |
| 530 | P | 34.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -65.3 | 109.1 | -175.5 | 26.1 | -33 | 0 | 0 | 0 | 110.4 | T532 | P530-T532 PolarHBondContact O-N 2.84Å; P530-T532 VanDerWaalsContact O-N 3.09Å |
| 531 | L | 34.5 | Very low | 32.9 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 105.8 | 170.1 | -161.7 | 69.8 | 0 | 0 | 0 | 107.5 | Y529 H533 | Y529-L531 PolarHBondContact O-N 2.92Å; L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-CD2 3.46Å; L531-H533 PolarHBondContact O-N 3.29Å |
| 532 | T | 35.3 | Very low | 32.6 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | trans | -62.1 | 93.9 | 171.1 | 40.2 | 0 | 0 | 0 | 0 | 108.9 | P530 Y534 | P530-T532 PolarHBondContact O-N 2.84Å; P530-T532 VanDerWaalsContact O-N 3.09Å; T532-Y534 PolarHBondContact O-N 3.12Å |
| 533 | H | 32.3 | Very low | 32.8 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | trans | -71.2 | 108 | 167.4 | -69.5 | -75.7 | 0 | 0 | 0 | 108.3 | L531 S535 | L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-CD2 3.46Å; L531-H533 PolarHBondContact O-N 3.29Å; H533-S535 VanDerWaalsContact C-N 3.34Å; H533-S535 PolarHBondContact O-N 3.13Å |
| 534 | Y | 28.1 | Very low | 32.7 | Very low | 214 Ų | 214 | 145.7 Ų | 145.7 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -63.2 | 98.7 | 159.7 | -68 | -87.2 | 0 | 0 | 0 | 107.1 | T532 S536 | T532-Y534 PolarHBondContact O-N 3.12Å; Y534-S536 VanDerWaalsContact C-N 3.33Å; Y534-S536 PolarHBondContact O-N 3.45Å |
| 535 | S | 33.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -70.6 | 96.3 | 172.3 | 61.3 | 0 | 0 | 0 | 0 | 108.6 | H533 T537 | H533-S535 VanDerWaalsContact C-N 3.34Å; H533-S535 PolarHBondContact O-N 3.13Å; S535-T537 PolarHBondContact O-N 2.97Å |
| 536 | S | 30.8 | Very low | 32.5 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | -40.8 | 127.7 | 153.5 | 48.3 | 0 | 0 | 0 | 0 | 111 | Y534 | Y534-S536 VanDerWaalsContact C-N 3.33Å; Y534-S536 PolarHBondContact O-N 3.45Å |
| 537 | T | 32.4 | Very low | 32.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 50.9 | 124.3 | 161.2 | 56.6 | 0 | 0 | 0 | 0 | 117.7 | S535 N539 | S535-T537 PolarHBondContact O-N 2.97Å; T537-N539 PolarHBondContact O-N 3.09Å |
| 538 | P | 35.4 | Very low | 32.3 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -61.1 | 112 | 177.1 | 26.7 | -32.4 | 0 | 0 | 0 | 109.6 | V540 | P538-V540 PolarHBondContact O-N 2.92Š|
| 539 | N | 32.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | | | trans | -51.7 | 123.7 | 167.3 | -93.6 | -27.2 | 0 | 0 | 0 | 108.6 | T537 Q541 | T537-N539 PolarHBondContact O-N 3.09Å; N539-Q541 PolarHBondContact O-N 2.88Å |
| 540 | V | 30.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | | | trans | -45.9 | 111.2 | 160.3 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | P538 L542 | P538-V540 PolarHBondContact O-N 2.92Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.39Å |
| 541 | Q | 32.1 | Very low | 31.8 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -66.4 | 100.4 | 168.6 | -72.2 | 178.2 | 6.2 | 0 | 0 | 106 | N539 I543 | N539-Q541 PolarHBondContact O-N 2.88Å; Q541-I543 VanDerWaalsContact C-N 3.27Å; Q541-I543 PolarHBondContact O-N 3.26Å |
| 542 | L | 29.1 | Very low | 31.3 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | trans | -59.6 | 99.3 | 159.5 | -82.5 | 160.6 | 0 | 0 | 0 | 106 | V540 V544 | V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.39Å; L542-V544 PolarHBondContact O-N 3.32Å |
| 543 | I | 33.9 | Very low | 31.3 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | -69.9 | 87.7 | 166.1 | -58.9 | 170.6 | 0 | 0 | 0 | 104.8 | Q541 T545 | Q541-I543 VanDerWaalsContact C-N 3.27Å; Q541-I543 PolarHBondContact O-N 3.26Å; I543-T545 PolarHBondContact O-N 3.32Å |
| 544 | V | 30.8 | Very low | 31 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | trans | -67.4 | 97.9 | 159.3 | -179.8 | 0 | 0 | 0 | 0 | 104.3 | L542 E546 | L542-V544 PolarHBondContact O-N 3.32Å; V544-E546 HydrophobicContact CG1-CG 4.37Å; V544-E546 PolarHBondContact O-N 3.37Å |
| 545 | T | 33.5 | Very low | 31.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | | | trans | -68.7 | 96 | 168.6 | -43.1 | 0 | 0 | 0 | 0 | 104.8 | I543 S547 | I543-T545 PolarHBondContact O-N 3.32Å; T545-S547 PolarHBondContact O-N 3.48Å |
| 546 | E | 28.1 | Very low | 31 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | -64.7 | 84.1 | 161.8 | -69.6 | -176.8 | 171.4 | 0 | 0 | 106.3 | V544 S548 | V544-E546 HydrophobicContact CG1-CG 4.37Å; V544-E546 PolarHBondContact O-N 3.37Å; E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.4Å |
| 547 | S | 33.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -65.9 | 100.1 | 161.5 | 52.3 | 0 | 0 | 0 | 0 | 106.5 | T545 | T545-S547 PolarHBondContact O-N 3.48Š|
| 548 | S | 29.6 | Very low | 31 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -38.3 | 131.1 | 167.3 | 180 | 0 | 0 | 0 | 0 | 112.3 | E546 | E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.4Å |
| 549 | V | 29.2 | Very low | 31.2 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -24.1 | 128.6 | 153.3 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 550 | G | 28.9 | Very low | 31.3 | Very low | 56 Ų | 56 | 138.9 Ų | 138.9 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | | | trans | 147.9 | 73 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 551 | D | 33.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | | | trans | 164.4 | 88.9 | 136.8 | -77.5 | -15.4 | 0 | 0 | 0 | 109.3 | | |
| 552 | E | 24 | Very low | 31.6 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -78.7 | 154.7 | 149.9 | -126 | -155.2 | 127.3 | 0 | 0 | 107 | | |
| 553 | P | 35.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | cis | -146.1 | 175.3 | 20.7 | 42.5 | -22.3 | 0 | 0 | 0 | 117.5 | | |
| 554 | S | 26.5 | Very low | 31.7 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 80.6 | 103.3 | 136.7 | -161.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 555 | V | 34 | Very low | 32.1 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 166.9 | 115.6 | 94.1 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 556 | R | 27 | Very low | 32.5 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | 22.6 | 120.2 | 143.7 | -61.8 | 175.2 | 171.2 | -170.2 | -4.1 | 118.9 | | |
| 557 | D | 34.1 | Very low | 33.1 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | | -158.3 | 148.9 | 97.9 | -91.3 | -26.7 | 0 | 0 | 0 | 111.8 | | |
| 558 | S | 28.2 | Very low | 33.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 162.7 | -161.5 | -81.8 | 0 | 0 | 0 | 0 | 117 | | |
| 559 | P | 40.3 | Very low | 34 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 122.1 | -175 | 34.6 | -29 | 0 | 0 | 0 | 111.8 | | |
| 560 | E | 33.9 | Very low | 35 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 126.1 | 163.6 | -79.9 | -164.3 | 158.4 | 0 | 0 | 110.9 | G562 | E560-G562 PolarHBondContact O-N 3.25Š|
| 561 | T | 34.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -85.2 | 95.8 | -175.1 | -48.6 | 0 | 0 | 0 | 0 | 108.5 | Y563 | T561-Y563 HydrophobicContact CG2-CE2 4.39Š|
| 562 | G | 34.9 | Very low | 37.9 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -102.6 | 115.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E560 | E560-G562 PolarHBondContact O-N 3.25Š|
| 563 | Y | 33.3 | Very low | 39.5 | Very low | 210 Ų | 210 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -69.9 | 131.5 | -178.2 | -75.2 | -103.5 | 0 | 0 | 0 | 113.3 | T561 | T561-Y563 HydrophobicContact CG2-CE2 4.39Š|
| 564 | S | 32.3 | Very low | 40.8 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 47.5 | 104.2 | 135.9 | -150.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 565 | S | 39 | Very low | 42.3 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -143 | 114.2 | 139.8 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 566 | E | 41.5 | Very low | 43.3 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | trans | -2.2 | 121 | 155 | -138.3 | 88.3 | -174.5 | 0 | 0 | 117.6 | | |
| 567 | T | 40.7 | Very low | 45.6 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 58.2 | 74.5 | 147.9 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 568 | Q | 41.6 | Very low | 47.4 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | | | trans | -120.6 | 26.9 | 163.3 | -150.4 | -175.8 | -8.3 | 0 | 0 | 114.1 | | |
| 569 | F | 40.6 | Very low | 49 | Very low | 194 Ų | 194 | 141 Ų | 141 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -117.2 | 56.6 | 171.6 | -69.4 | -80.1 | 0 | 0 | 0 | 111.3 | D571 | F569-D571 PolarHBondContact O-N 3.27Š|
| 570 | E | 50.3 | Low | 50.3 | Low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -74.8 | 91.8 | 143.4 | -79.8 | -141.2 | 158.2 | 0 | 0 | 106.4 | E572 | E570-E572 PolarHBondContact O-N 3.33Š|
| 571 | D | 63.9 | Low | 51.9 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 56% | 0.561 | 71% | 0.706 | S | S | * | * | | | trans | -39.9 | 114.7 | 171.6 | -93.8 | -26.7 | 0 | 0 | 0 | 109.8 | F569 R573 S574 | F569-D571 PolarHBondContact O-N 3.27Å; D571-R573 PolarHBondContact O-N 3.48Å; D571-S574 WeakPolarHBondContact O-CB 3.5Å; D571-S574 PolarHBondContact O-N 2.98Å |
| 572 | E | 58.6 | Low | 53.2 | Low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -53.8 | -25.2 | 178.1 | -65.4 | 177.5 | 156.2 | 0 | 0 | 111.9 | E570 S574 R575 L576 | E570-E572 PolarHBondContact O-N 3.33Å; E572-S574 PolarHBondContact O-N 2.96Å; E572-R575 PolarHBondContact O-N 2.79Å; E572-L576 PolarHBondContact O-N 2.83Å; E572-L576 VanDerWaalsContact O-N 3.17Å |
| 573 | R | 58.3 | Low | 54.5 | Low | 217 Ų | 217 | 137.9 Ų | 137.9 | 82% | 0.819 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.7 | -34.5 | 172.4 | -67.6 | -175.8 | 175.9 | -164 | -0.2 | 113.5 | D571 S577 | D571-R573 PolarHBondContact O-N 3.48Å; R573-S577 WeakPolarHBondContact O-CB 3.24Å; R573-S577 PolarHBondContact O-N 3.03Å; R573-S577 VanDerWaalsContact O-N 3.13Å |
| 574 | S | 63.8 | Low | 55.7 | Low | 82 Ų | 82 | 134.4 Ų | 134.4 | 57% | 0.573 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.6 | -36.1 | 175 | -91.1 | 0 | 0 | 0 | 0 | 111.9 | D571 E572 S577 L578 | D571-S574 WeakPolarHBondContact O-CB 3.5Å; D571-S574 PolarHBondContact O-N 2.98Å; E572-S574 PolarHBondContact O-N 2.96Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 2.75Å; S574-L578 PolarHBondContact O-N 2.68Å |
| 575 | R | 56.5 | Low | 57 | Low | 180 Ų | 180 | 137.2 Ų | 137.2 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.6 | -41 | 178.6 | -163.7 | 175.8 | 159 | 125.9 | -2.6 | 112 | E572 S577 L578 M579 | E572-R575 PolarHBondContact O-N 2.79Å; R575-S577 VanDerWaalsContact C-N 3.34Å; R575-L578 PolarHBondContact O-N 2.82Å; R575-M579 PolarHBondContact O-N 2.82Å; R575-M579 VanDerWaalsContact O-N 3.12Å |
| 576 | L | 56.6 | Low | 57.3 | Low | 111 Ų | 111 | 137.6 Ų | 137.6 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66 | -34.8 | 172.5 | -71.7 | 170.9 | 0 | 0 | 0 | 112.5 | E572 L578 M579 Q580 | E572-L576 PolarHBondContact O-N 2.83Å; E572-L576 VanDerWaalsContact O-N 3.17Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.91Å; L576-M579 PolarHBondContact O-N 3.33Å; L576-Q580 WeakPolarHBondContact O-CB 3.32Å; L576-Q580 WeakPolarHBondContact O-CG 3.47Å; L576-Q580 PolarHBondContact O-N 3.45Å |
| 577 | S | 74.1 | Confident | 57.5 | Low | 52 Ų | 52 | 135.6 Ų | 135.6 | 36% | 0.364 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.7 | -36.7 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | R573 S574 R575 K581 | R573-S577 WeakPolarHBondContact O-CB 3.24Å; R573-S577 PolarHBondContact O-N 3.03Å; R573-S577 VanDerWaalsContact O-N 3.13Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 2.75Å; R575-S577 VanDerWaalsContact C-N 3.34Å; S577-K581 WeakPolarHBondContact O-CB 3.09Å; S577-K581 WeakPolarHBondContact O-CG 3.39Å; S577-K581 PolarHBondContact O-N 3.04Å |
| 578 | L | 71.8 | Confident | 57.7 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.3 | -42.8 | 175.6 | -171.4 | 65.6 | 0 | 0 | 0 | 111.9 | S574 R575 L576 K581 A582 | S574-L578 PolarHBondContact O-N 2.68Å; R575-L578 PolarHBondContact O-N 2.82Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.91Å; L578-K581 PolarHBondContact O-N 3.01Å; L578-A582 PolarHBondContact O-N 3.05Å |
| 579 | M | 61.8 | Low | 57.8 | Low | 126 Ų | 126 | 133 Ų | 133 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.6 | -41.8 | 175.1 | -87.1 | -177.4 | 63.9 | 0 | 0 | 112.3 | R575 L576 K581 A582 Q583 | R575-M579 PolarHBondContact O-N 2.82Å; R575-M579 VanDerWaalsContact O-N 3.12Å; L576-M579 PolarHBondContact O-N 3.33Å; M579-K581 VanDerWaalsContact C-N 3.32Å; M579-K581 PolarHBondContact O-N 3.36Å; M579-A582 PolarHBondContact O-N 3.21Å; M579-Q583 WeakPolarHBondContact O-CB 3.42Å; M579-Q583 PolarHBondContact O-N 3.13Å |
| 580 | Q | 67.8 | Low | 57.7 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.1 | -38.6 | 174.5 | -76.4 | 179.3 | -12.4 | 0 | 0 | 112 | L576 Q583 M584 | L576-Q580 WeakPolarHBondContact O-CB 3.32Å; L576-Q580 WeakPolarHBondContact O-CG 3.47Å; L576-Q580 PolarHBondContact O-N 3.45Å; Q580-Q583 PolarHBondContact O-N 3.27Å; Q580-M584 PolarHBondContact O-N 2.92Å; Q580-M584 VanDerWaalsContact O-N 3.12Å |
| 581 | K | 67.8 | Low | 57.7 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 54% | 0.543 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.4 | -39.8 | 174.1 | -80.5 | 177.6 | -179 | 175.3 | 0 | 112.4 | S577 L578 M579 F585 | S577-K581 WeakPolarHBondContact O-CB 3.09Å; S577-K581 WeakPolarHBondContact O-CG 3.39Å; S577-K581 PolarHBondContact O-N 3.04Å; L578-K581 PolarHBondContact O-N 3.01Å; M579-K581 VanDerWaalsContact C-N 3.32Å; M579-K581 PolarHBondContact O-N 3.36Å; K581-F585 WeakPolarHBondContact O-CD2 3.44Å; K581-F585 WeakPolarHBondContact O-CE2 3.16Å |
| 582 | A | 61.9 | Low | 56.6 | Low | 53 Ų | 53 | 136.2 Ų | 136.2 | 44% | 0.438 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -67.3 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L578 M579 M584 F585 D586 | L578-A582 PolarHBondContact O-N 3.05Å; M579-A582 PolarHBondContact O-N 3.21Å; A582-M584 VanDerWaalsContact C-N 3.27Å; A582-M584 PolarHBondContact O-N 3.12Å; A582-F585 PolarHBondContact O-N 3.42Å; A582-D586 PolarHBondContact O-N 3.06Å |
| 583 | Q | 61.7 | Low | 55.7 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.2 | -25.3 | -179.3 | -155.6 | 178.7 | 15.2 | 0 | 0 | 113.2 | M579 Q580 F585 D586 I587 | M579-Q583 WeakPolarHBondContact O-CB 3.42Å; M579-Q583 PolarHBondContact O-N 3.13Å; Q580-Q583 PolarHBondContact O-N 3.27Å; Q583-F585 PolarHBondContact O-N 3.33Å; Q583-D586 PolarHBondContact O-N 3.49Å; Q583-I587 PolarHBondContact O-N 3.23Å |
| 584 | M | 58.4 | Low | 55.1 | Low | 136 Ų | 136 | 132.4 Ų | 132.4 | 67% | 0.67 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -27.9 | 170.1 | -82.6 | -178.7 | 43.6 | 0 | 0 | 113.3 | Q580 A582 | Q580-M584 PolarHBondContact O-N 2.92Å; Q580-M584 VanDerWaalsContact O-N 3.12Å; A582-M584 VanDerWaalsContact C-N 3.27Å; A582-M584 PolarHBondContact O-N 3.12Å |
| 585 | F | 60.3 | Low | 54 | Low | 173 Ų | 173 | 139 Ų | 139 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -22.2 | 177.6 | -64.6 | -74 | 0 | 0 | 0 | 112.8 | K581 A582 Q583 | K581-F585 WeakPolarHBondContact O-CD2 3.44Å; K581-F585 WeakPolarHBondContact O-CE2 3.16Å; A582-F585 PolarHBondContact O-N 3.42Å; Q583-F585 PolarHBondContact O-N 3.33Å |
| 586 | D | 45.2 | Very low | 53.3 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | | | trans | -89.8 | 5.1 | 178.7 | -77.2 | -18.2 | 0 | 0 | 0 | 114.3 | A582 Q583 T588 | A582-D586 PolarHBondContact O-N 3.06Å; Q583-D586 PolarHBondContact O-N 3.49Å; D586-T588 PolarHBondContact O-N 3.35Å; D586-T588 PolarHBondContact O-OG1 3.11Å |
| 587 | I | 46.8 | Very low | 52.7 | Low | 121 Ų | 121 | 140.5 Ų | 140.5 | 62% | 0.621 | 70% | 0.699 | S | S | * | * | | | trans | -66.9 | 90.7 | 167.6 | -50.1 | 177.4 | 0 | 0 | 0 | 107.3 | Q583 V589 | Q583-I587 PolarHBondContact O-N 3.23Å; I587-V589 WeakPolarHBondContact O-CG2 3.38Å; I587-V589 PolarHBondContact O-N 3.21Å |
| 588 | T | 43.5 | Very low | 51.2 | Low | 127 Ų | 127 | 149.2 Ų | 149.2 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | trans | -48.3 | 101.6 | 169.9 | -24.7 | 0 | 0 | 0 | 0 | 106.4 | D586 K590 | D586-T588 PolarHBondContact O-N 3.35Å; D586-T588 PolarHBondContact O-OG1 3.11Å; T588-K590 VanDerWaalsContact C-N 3.25Å; T588-K590 PolarHBondContact O-N 3.34Å |
| 589 | V | 43.6 | Very low | 50.6 | Low | 130 Ų | 130 | 153.5 Ų | 153.5 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | -65.8 | 92.3 | -177.2 | -177.8 | 0 | 0 | 0 | 0 | 106.7 | I587 | I587-V589 WeakPolarHBondContact O-CG2 3.38Å; I587-V589 PolarHBondContact O-N 3.21Å |
| 590 | K | 38.7 | Very low | 50.3 | Low | 183 Ų | 183 | 156.1 Ų | 156.1 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -54 | 124.7 | 163.9 | -73.5 | -173.7 | 177.4 | 178.5 | 0 | 106 | T588 R592 | T588-K590 VanDerWaalsContact C-N 3.25Å; T588-K590 PolarHBondContact O-N 3.34Å; K590-R592 VanDerWaalsContact C-N 3.31Å; K590-R592 PolarHBondContact O-N 3.42Å |
| 591 | P | 50.2 | Low | 49.6 | Very low | 133 Ų | 133 | 160.1 Ų | 160.1 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -72.2 | 90.6 | -173.7 | 28.9 | -32.5 | 0 | 0 | 0 | 107.9 | | |
| 592 | R | 40.5 | Very low | 49.2 | Very low | 224 Ų | 224 | 158.3 Ų | 158.3 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | trans | -125.6 | 97.4 | 178 | -158.4 | 170.6 | -179.7 | 171 | -0.1 | 110.5 | K590 | K590-R592 VanDerWaalsContact C-N 3.31Å; K590-R592 PolarHBondContact O-N 3.42Å |
| 593 | V | 41 | Very low | 48.9 | Very low | 113 Ų | 113 | 160.7 Ų | 160.7 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | 62.6 | 102.3 | 156.1 | -171.2 | 0 | 0 | 0 | 0 | 114.8 | R595 | V593-R595 PolarHBondContact O-N 3.28Š|
| 594 | Q | 44.7 | Very low | 48.7 | Very low | 192 Ų | 192 | 165 Ų | 165 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | -52.6 | 89 | 158.9 | -74.6 | 179.1 | -19.5 | 0 | 0 | 109.5 | N596 | Q594-N596 VanDerWaalsContact C-N 3.33Å; Q594-N596 PolarHBondContact O-N 3.26Å |
| 595 | R | 41.2 | Very low | 48.6 | Very low | 219 Ų | 219 | 162 Ų | 162 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 98.8 | 163.3 | -85.1 | -175.7 | 173 | 146.5 | -2.7 | 106.9 | V593 H597 | V593-R595 PolarHBondContact O-N 3.28Å; R595-H597 VanDerWaalsContact C-N 3.27Å; R595-H597 PolarHBondContact O-N 3.29Å; R595-H597 PolarHBondContact O-ND1 3.43Å |
| 596 | N | 41.6 | Very low | 48.3 | Very low | 147 Ų | 147 | 162.3 Ų | 162.3 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | trans | -6.2 | 70.4 | 161.1 | -66.9 | -37 | 0 | 0 | 0 | 115.8 | Q594 R598 | Q594-N596 VanDerWaalsContact C-N 3.33Å; Q594-N596 PolarHBondContact O-N 3.26Å; N596-R598 PolarHBondContact O-N 3.14Å; N596-R598 VanDerWaalsContact O-N 3.1Å |
| 597 | H | 43.6 | Very low | 49.4 | Very low | 176 Ų | 176 | 162.2 Ų | 162.2 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | trans | -82 | 78.5 | 154.4 | -77.3 | 11.4 | 0 | 0 | 0 | 105.1 | R595 R599 | R595-H597 VanDerWaalsContact C-N 3.27Å; R595-H597 PolarHBondContact O-N 3.29Å; R595-H597 PolarHBondContact O-ND1 3.43Å; H597-R599 PolarHBondContact O-N 3.38Å |
| 598 | R | 44.1 | Very low | 50.4 | Low | 235 Ų | 235 | 164.2 Ų | 164.2 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | -56.1 | 92.7 | 162.3 | -86.4 | -176.1 | 163.3 | -169.9 | -3.9 | 105.7 | N596 H600 | N596-R598 PolarHBondContact O-N 3.14Å; N596-R598 VanDerWaalsContact O-N 3.1Å; R598-H600 PolarHBondContact O-N 2.9Å |
| 599 | R | 58.6 | Low | 51.9 | Low | 216 Ų | 216 | 163.3 Ų | 163.3 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | -50 | 117.7 | 164.2 | -71.4 | -175.9 | 177.8 | -158.9 | -0.6 | 104.9 | H597 W601 | H597-R599 PolarHBondContact O-N 3.38Å; R599-W601 VanDerWaalsContact C-N 3.25Å; R599-W601 PolarHBondContact O-N 2.82Å |
| 600 | H | 55.4 | Low | 53.5 | Low | 180 Ų | 180 | 162.1 Ų | 162.1 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | -62.5 | 97.4 | 175.9 | -162.6 | -46.8 | 0 | 0 | 0 | 105.6 | R598 D602 | R598-H600 PolarHBondContact O-N 2.9Å; H600-D602 PolarHBondContact O-N 3.09Å |
| 601 | W | 52.7 | Low | 55.8 | Low | 215 Ų | 215 | 156.6 Ų | 156.6 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | | | trans | -62.1 | 108.5 | 173.5 | -78.5 | 96.9 | 0 | 0 | 0 | 105.8 | R599 S603 | R599-W601 VanDerWaalsContact C-N 3.25Å; R599-W601 PolarHBondContact O-N 2.82Å; W601-S603 PolarHBondContact O-N 3.16Å |
| 602 | D | 59.9 | Low | 57.5 | Low | 88 Ų | 88 | 156.5 Ų | 156.5 | 47% | 0.471 | 74% | 0.735 | S | S | . | * | | | trans | -61.6 | 108.3 | 171.9 | -173.3 | -4.5 | 0 | 0 | 0 | 106.8 | H600 R604 S605 | H600-D602 PolarHBondContact O-N 3.09Å; D602-R604 PolarHBondContact O-N 2.94Å; D602-R604 VanDerWaalsContact OD1-CB 3.22Å; D602-R604 WeakPolarHBondContact OD1-CB 3.42Å; D602-R604 WeakPolarHBondContact OD1-CG 3.41Å; D602-R604 PolarHBondContact OD1-N 3.23Å; D602-S605 PolarHBondContact O-N 2.96Å; D602-S605 VanDerWaalsContact O-N 3.12Å; D602-S605 PolarHBondContact O-OG 3.48Å |
| 603 | S | 54.3 | Low | 59.9 | Low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -65.1 | -12.1 | -179.4 | -55 | 0 | 0 | 0 | 0 | 111.7 | W601 | W601-S603 PolarHBondContact O-N 3.16Š|
| 604 | R | 59.3 | Low | 62.3 | Low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -82.1 | -20.1 | 176.4 | -57.9 | 177.6 | 168.7 | -171.3 | -3.3 | 113.6 | D602 K606 | D602-R604 PolarHBondContact O-N 2.94Å; D602-R604 VanDerWaalsContact OD1-CB 3.22Å; D602-R604 WeakPolarHBondContact OD1-CB 3.42Å; D602-R604 WeakPolarHBondContact OD1-CG 3.41Å; D602-R604 PolarHBondContact OD1-N 3.23Å; R604-K606 VanDerWaalsContact C-N 3.25Å |
| 605 | S | 55.1 | Low | 64.5 | Low | 73 Ų | 73 | 142.4 Ų | 142.4 | 51% | 0.51 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -87.1 | 5.2 | 175.7 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | D602 T607 | D602-S605 PolarHBondContact O-N 2.96Å; D602-S605 VanDerWaalsContact O-N 3.12Å; D602-S605 PolarHBondContact O-OG 3.48Å; S605-T607 PolarHBondContact O-N 3.05Å |
| 606 | K | 54.5 | Low | 67 | Low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | | | trans | -72.4 | 74.2 | 171 | -145.8 | 175.7 | -170.8 | -177.1 | 0 | 108.3 | R604 Q608 | R604-K606 VanDerWaalsContact C-N 3.25Å; K606-Q608 PolarHBondContact O-N 3.11Å; K606-Q608 VanDerWaalsContact O-N 3.12Å |
| 607 | T | 68.3 | Low | 69.3 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 121.8 | 161.2 | 51 | 0 | 0 | 0 | 0 | 105.9 | S605 | S605-T607 PolarHBondContact O-N 3.05Š|
| 608 | Q | 68 | Low | 71.5 | Confident | 162 Ų | 162 | 128.1 Ų | 128.1 | 76% | 0.757 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 139 | 175.9 | -71.1 | -155.9 | -8.8 | 0 | 0 | 108.3 | K606 V610 | K606-Q608 PolarHBondContact O-N 3.11Å; K606-Q608 VanDerWaalsContact O-N 3.12Å; Q608-V610 PolarHBondContact O-N 3.09Å; Q608-V610 VanDerWaalsContact O-N 3.15Å |
| 609 | P | 73.6 | Confident | 73.8 | Confident | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -55 | 127.5 | 173.9 | 24.6 | -32.3 | 0 | 0 | 0 | 107.3 | T611 | P609-T611 WeakPolarHBondContact O-CG2 3.36Å; P609-T611 PolarHBondContact O-N 3.46Å |
| 610 | V | 79.2 | Confident | 75.3 | Confident | 105 Ų | 105 | 115.8 Ų | 115.8 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | | | trans | -54 | 115 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 107 | Q608 D614 L615 | Q608-V610 PolarHBondContact O-N 3.09Å; Q608-V610 VanDerWaalsContact O-N 3.15Å; V610-D614 HydrophobicContact CG1-CB 4.01Å; V610-L615 HydrophobicContact CG1-CD2 3.89Å; V610-L615 HydrophobicContact CG1-CG 3.88Å |
| 611 | T | 86.3 | Confident | 77.1 | Confident | 66 Ų | 66 | 114.1 Ų | 114.1 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | | | trans | -81 | 159.7 | -178.5 | 65.9 | 0 | 0 | 0 | 0 | 109.7 | P609 G613 D614 L615 | P609-T611 WeakPolarHBondContact O-CG2 3.36Å; P609-T611 PolarHBondContact O-N 3.46Å; T611-G613 PolarHBondContact O-N 3.18Å; T611-G613 VanDerWaalsContact O-N 3.17Å; T611-D614 PolarHBondContact N-OD2 3.03Å; T611-D614 WeakPolarHBondContact O-CB 3.28Å; T611-D614 PolarHBondContact O-N 3.39Å; T611-D614 VanDerWaalsContact OG1-CG 3.22Å; T611-D614 PolarHBondContact OG1-N 3.13Å; T611-D614 PolarHBondContact OG1-OD2 3.3Å; T611-L615 PolarHBondContact O-N 3.09Å |
| 612 | E | 86.6 | Confident | 78.9 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.2 | -28.2 | 172.7 | -164 | -170.9 | 152 | 0 | 0 | 111.8 | L615 K616 | E612-L615 PolarHBondContact O-N 3.17Å; E612-K616 WeakPolarHBondContact O-CG 3.08Å; E612-K616 PolarHBondContact O-N 3.32Å; E612-K616 WeakPolarHBondContact OE1-CE 3.37Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.21Å |
| 613 | G | 90.9 | Very high | 80.4 | Confident | 43 Ų | 43 | 108.9 Ų | 108.9 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T611 L615 K616 S617 | T611-G613 PolarHBondContact O-N 3.18Å; T611-G613 VanDerWaalsContact O-N 3.17Å; G613-L615 VanDerWaalsContact C-N 3.35Å; G613-K616 PolarHBondContact O-N 3.43Å; G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 2.79Å; G613-S617 PolarHBondContact O-OG 2.86Å |
| 614 | D | 90.2 | Very high | 81.9 | Confident | 79 Ų | 79 | 107.3 Ų | 107.3 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -36.8 | 176.8 | -58.6 | -44.4 | 0 | 0 | 0 | 111.4 | V610 T611 S617 A618 | V610-D614 HydrophobicContact CG1-CB 4.01Å; T611-D614 PolarHBondContact N-OD2 3.03Å; T611-D614 WeakPolarHBondContact O-CB 3.28Å; T611-D614 PolarHBondContact O-N 3.39Å; T611-D614 VanDerWaalsContact OG1-CG 3.22Å; T611-D614 PolarHBondContact OG1-N 3.13Å; T611-D614 PolarHBondContact OG1-OD2 3.3Å; D614-S617 PolarHBondContact O-OG 2.92Å; D614-A618 WeakPolarHBondContact O-CB 3.31Å; D614-A618 PolarHBondContact O-N 2.95Å |
| 615 | L | 91.8 | Very high | 83.3 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.8 | -40 | 175.6 | -65.1 | 174.1 | 0 | 0 | 0 | 111.8 | V610 T611 E612 G613 K619 | V610-L615 HydrophobicContact CG1-CD2 3.89Å; V610-L615 HydrophobicContact CG1-CG 3.88Å; T611-L615 PolarHBondContact O-N 3.09Å; E612-L615 PolarHBondContact O-N 3.17Å; G613-L615 VanDerWaalsContact C-N 3.35Å; L615-K619 WeakPolarHBondContact O-CB 3.36Å; L615-K619 PolarHBondContact O-N 2.76Å |
| 616 | K | 92.5 | Very high | 84.8 | Confident | 129 Ų | 129 | 101.4 Ų | 101.4 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | 175.7 | -76.6 | 175.4 | -175.7 | 166.5 | 0 | 111.9 | E612 G613 K619 S620 | E612-K616 WeakPolarHBondContact O-CG 3.08Å; E612-K616 PolarHBondContact O-N 3.32Å; E612-K616 WeakPolarHBondContact OE1-CE 3.37Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.21Å; G613-K616 PolarHBondContact O-N 3.43Å; K616-K619 PolarHBondContact O-N 2.67Å; K616-S620 PolarHBondContact O-N 2.87Å |
| 617 | S | 89.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 99 Ų | 99 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 177.2 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | G613 D614 K619 S620 F621 | G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 2.79Å; G613-S617 PolarHBondContact O-OG 2.86Å; D614-S617 PolarHBondContact O-OG 2.92Å; S617-K619 VanDerWaalsContact C-N 3.31Å; S617-K619 PolarHBondContact O-N 3.36Å; S617-S620 PolarHBondContact O-N 3Å; S617-S620 PolarHBondContact O-OG 2.94Å; S617-F621 WeakPolarHBondContact O-CB 3.49Å; S617-F621 PolarHBondContact O-N 3.02Å |
| 618 | A | 91 | Very high | 86.7 | Confident | 50 Ų | 50 | 95.4 Ų | 95.4 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D614 L622 | D614-A618 WeakPolarHBondContact O-CB 3.31Å; D614-A618 PolarHBondContact O-N 2.95Å; A618-L622 PolarHBondContact O-N 3.21Å; A618-L622 VanDerWaalsContact O-N 3.13Å |
| 619 | K | 92.4 | Very high | 87 | Confident | 128 Ų | 128 | 94.8 Ų | 94.8 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -46.1 | 176 | -168.2 | -175.7 | 179 | -156.1 | 0 | 112.1 | L615 K616 S617 F621 L622 E623 | L615-K619 WeakPolarHBondContact O-CB 3.36Å; L615-K619 PolarHBondContact O-N 2.76Å; K616-K619 PolarHBondContact O-N 2.67Å; S617-K619 VanDerWaalsContact C-N 3.31Å; S617-K619 PolarHBondContact O-N 3.36Å; K619-F621 VanDerWaalsContact C-N 3.29Å; K619-F621 PolarHBondContact O-N 3.22Å; K619-L622 WeakPolarHBondContact O-CB 3.36Å; K619-L622 PolarHBondContact O-N 3.03Å; K619-E623 WeakPolarHBondContact CE-OE1 3.35Å; K619-E623 IonicContact NZ-OE1 2.79Å; K619-E623 PolarHBondContact O-N 3.5Å |
| 620 | S | 89.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 178.5 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | K616 S617 E623 S624 | K616-S620 PolarHBondContact O-N 2.87Å; S617-S620 PolarHBondContact O-N 3Å; S617-S620 PolarHBondContact O-OG 2.94Å; S620-E623 PolarHBondContact O-N 2.77Å; S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 3.21Å |
| 621 | F | 92.1 | Very high | 85.7 | Confident | 144 Ų | 144 | 95 Ų | 95 | 63% | 0.632 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 174.3 | -177.3 | -94.9 | 0 | 0 | 0 | 111.8 | S617 K619 L625 | S617-F621 WeakPolarHBondContact O-CB 3.49Å; S617-F621 PolarHBondContact O-N 3.02Å; K619-F621 VanDerWaalsContact C-N 3.29Å; K619-F621 PolarHBondContact O-N 3.22Å; F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 PolarHBondContact O-N 3.21Å |
| 622 | L | 91.7 | Very high | 84.1 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.8 | -91.1 | 152.7 | 0 | 0 | 0 | 112.2 | A618 K619 L625 I626 | A618-L622 PolarHBondContact O-N 3.21Å; A618-L622 VanDerWaalsContact O-N 3.13Å; K619-L622 WeakPolarHBondContact O-CB 3.36Å; K619-L622 PolarHBondContact O-N 3.03Å; L622-L625 PolarHBondContact O-N 3.2Å; L622-I626 WeakPolarHBondContact O-CD1 3.35Å; L622-I626 VanDerWaalsContact O-CG1 3.26Å; L622-I626 WeakPolarHBondContact O-CG1 3.45Å; L622-I626 PolarHBondContact O-N 3.14Å |
| 623 | E | 90.9 | Very high | 82.2 | Confident | 93 Ų | 93 | 97 Ų | 97 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.4 | -73.3 | 172.5 | 177.6 | 0 | 0 | 111 | K619 S620 L625 I626 E627 | K619-E623 WeakPolarHBondContact CE-OE1 3.35Å; K619-E623 IonicContact NZ-OE1 2.79Å; K619-E623 PolarHBondContact O-N 3.5Å; S620-E623 PolarHBondContact O-N 2.77Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.99Å; E623-I626 PolarHBondContact O-N 3.15Å; E623-I626 VanDerWaalsContact O-N 3.14Å; E623-E627 WeakPolarHBondContact O-CG 3.45Å; E623-E627 PolarHBondContact O-N 3.05Å |
| 624 | S | 86.7 | Confident | 79.9 | Confident | 70 Ų | 70 | 99.7 Ų | 99.7 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 113.2 | S620 S628 | S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 3.21Å; S624-S628 VanDerWaalsContact O-CB 3.32Å; S624-S628 WeakPolarHBondContact O-CB 3.39Å; S624-S628 PolarHBondContact O-N 3.48Å; S624-S628 PolarHBondContact O-OG 3.01Å |
| 625 | L | 88.8 | Confident | 77.5 | Confident | 80 Ų | 80 | 104.5 Ų | 104.5 | 42% | 0.419 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -37.2 | 175.4 | -171.5 | 71 | 0 | 0 | 0 | 111.9 | F621 L622 E623 S628 K629 | F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 PolarHBondContact O-N 3.21Å; L622-L625 PolarHBondContact O-N 3.2Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.99Å; L625-S628 WeakPolarHBondContact CA-OG 3.45Å; L625-S628 PolarHBondContact O-OG 3.4Å; L625-S628 VanDerWaalsContact O-OG 3.05Å; L625-K629 WeakPolarHBondContact O-CB 3.3Å; L625-K629 WeakPolarHBondContact O-CG 3.45Å; L625-K629 PolarHBondContact O-N 2.9Å |
| 626 | I | 86.4 | Confident | 74.9 | Confident | 98 Ų | 98 | 105.8 Ų | 105.8 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.4 | -46.1 | 177.1 | -67.8 | 163.8 | 0 | 0 | 0 | 110.1 | L622 E623 K629 L630 | L622-I626 WeakPolarHBondContact O-CD1 3.35Å; L622-I626 VanDerWaalsContact O-CG1 3.26Å; L622-I626 WeakPolarHBondContact O-CG1 3.45Å; L622-I626 PolarHBondContact O-N 3.14Å; E623-I626 PolarHBondContact O-N 3.15Å; E623-I626 VanDerWaalsContact O-N 3.14Å; I626-K629 PolarHBondContact O-N 3.35Å; I626-L630 HydrophobicContact CG2-CD1 3.92Å; I626-L630 WeakPolarHBondContact O-CG 3.34Å; I626-L630 PolarHBondContact O-N 2.93Å |
| 627 | E | 82.2 | Confident | 72.4 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61 | -47.1 | 177.7 | -74 | 177.7 | 179.2 | 0 | 0 | 111.9 | E623 K629 L630 T631 | E623-E627 WeakPolarHBondContact O-CG 3.45Å; E623-E627 PolarHBondContact O-N 3.05Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 2.95Å; E627-L630 PolarHBondContact O-N 3.34Å; E627-L630 VanDerWaalsContact O-N 3.14Å; E627-T631 WeakPolarHBondContact O-CG2 3.48Å; E627-T631 PolarHBondContact O-N 3.41Å; E627-T631 PolarHBondContact O-OG1 3.41Å |
| 628 | S | 79.8 | Confident | 69.9 | Low | 50 Ų | 50 | 107.1 Ų | 107.1 | 35% | 0.35 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -38.2 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | S624 L625 T631 L632 | S624-S628 VanDerWaalsContact O-CB 3.32Å; S624-S628 WeakPolarHBondContact O-CB 3.39Å; S624-S628 PolarHBondContact O-N 3.48Å; S624-S628 PolarHBondContact O-OG 3.01Å; L625-S628 WeakPolarHBondContact CA-OG 3.45Å; L625-S628 PolarHBondContact O-OG 3.4Å; L625-S628 VanDerWaalsContact O-OG 3.05Å; S628-T631 WeakPolarHBondContact CA-OG1 3.45Å; S628-T631 PolarHBondContact O-OG1 3.45Å; S628-L632 PolarHBondContact O-N 3.45Å |
| 629 | K | 74.1 | Confident | 67.2 | Low | 149 Ų | 149 | 110.4 Ų | 110.4 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -32.2 | 175 | -76.2 | -163.1 | 177.2 | -160.3 | 0 | 113.6 | L625 I626 E627 | L625-K629 WeakPolarHBondContact O-CB 3.3Å; L625-K629 WeakPolarHBondContact O-CG 3.45Å; L625-K629 PolarHBondContact O-N 2.9Å; I626-K629 PolarHBondContact O-N 3.35Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 2.95Å |
| 630 | L | 66.8 | Low | 64.4 | Low | 116 Ų | 116 | 110.1 Ų | 110.1 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.5 | -38.4 | 175.4 | -71 | 170 | 0 | 0 | 0 | 111.5 | I626 E627 L632 S633 | I626-L630 HydrophobicContact CG2-CD1 3.92Å; I626-L630 WeakPolarHBondContact O-CG 3.34Å; I626-L630 PolarHBondContact O-N 2.93Å; E627-L630 PolarHBondContact O-N 3.34Å; E627-L630 VanDerWaalsContact O-N 3.14Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.41Å; L630-S633 WeakPolarHBondContact O-CB 3.36Å; L630-S633 PolarHBondContact O-N 3.46Å; L630-S633 VanDerWaalsContact O-N 3.07Å |
| 631 | T | 58.2 | Low | 61.6 | Low | 101 Ų | 101 | 112.3 Ų | 112.3 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -28.8 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | E627 S628 S633 | E627-T631 WeakPolarHBondContact O-CG2 3.48Å; E627-T631 PolarHBondContact O-N 3.41Å; E627-T631 PolarHBondContact O-OG1 3.41Å; S628-T631 WeakPolarHBondContact CA-OG1 3.45Å; S628-T631 PolarHBondContact O-OG1 3.45Å; T631-S633 PolarHBondContact O-N 2.72Å |
| 632 | L | 53.7 | Low | 58.5 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -9.9 | 174.3 | -78.9 | 158.5 | 0 | 0 | 0 | 113 | S628 L630 | S628-L632 PolarHBondContact O-N 3.45Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.41Å |
| 633 | S | 45.7 | Very low | 55.8 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -10.1 | -177.3 | -169.5 | 0 | 0 | 0 | 0 | 114.3 | L630 T631 | L630-S633 WeakPolarHBondContact O-CB 3.36Å; L630-S633 PolarHBondContact O-N 3.46Å; L630-S633 VanDerWaalsContact O-N 3.07Å; T631-S633 PolarHBondContact O-N 2.72Å |
| 634 | T | 43.5 | Very low | 53.3 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | | | trans | -110.7 | 56 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | D636 | T634-D636 VanDerWaalsContact C-N 3.31Å; T634-D636 PolarHBondContact O-N 3.27Å |
| 635 | Q | 40.2 | Very low | 50.5 | Low | 179 Ų | 179 | 114.6 Ų | 114.6 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | | | trans | -89.6 | 83.1 | 156.3 | -160 | 173.3 | 18.6 | 0 | 0 | 106.5 | V637 | Q635-V637 PolarHBondContact O-N 3.18Š|
| 636 | D | 37.3 | Very low | 47.8 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | | | trans | -60.3 | 105.9 | 174.6 | -77.6 | -39.6 | 0 | 0 | 0 | 109.1 | T634 S638 | T634-D636 VanDerWaalsContact C-N 3.31Å; T634-D636 PolarHBondContact O-N 3.27Å; D636-S638 PolarHBondContact O-N 3.24Å |
| 637 | V | 40.2 | Very low | 45.1 | Very low | 127 Ų | 127 | 122 Ų | 122 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | | | trans | -71.4 | 73.2 | 159.9 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | Q635 T639 | Q635-V637 PolarHBondContact O-N 3.18Å; V637-T639 VanDerWaalsContact C-N 3.29Å; V637-T639 PolarHBondContact O-N 2.85Å; V637-T639 VanDerWaalsContact O-N 3.13Å |
| 638 | S | 35.8 | Very low | 43 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | | | trans | -82.3 | 81.1 | 170 | 70.7 | 0 | 0 | 0 | 0 | 108.6 | D636 T640 | D636-S638 PolarHBondContact O-N 3.24Å; S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact O-N 2.96Å |
| 639 | T | 35.7 | Very low | 40.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | trans | -69.8 | 92.7 | 164.5 | -37 | 0 | 0 | 0 | 0 | 107.2 | V637 P641 | V637-T639 VanDerWaalsContact C-N 3.29Å; V637-T639 PolarHBondContact O-N 2.85Å; V637-T639 VanDerWaalsContact O-N 3.13Å; T639-P641 VanDerWaalsContact O-CD 3.3Å; T639-P641 WeakPolarHBondContact O-CD 3.48Å |
| 640 | T | 32.5 | Very low | 38.8 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -73.1 | 119.4 | 173.3 | 48.1 | 0 | 0 | 0 | 0 | 110 | S638 | S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact O-N 2.96Å |
| 641 | P | 31.4 | Very low | 37 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | trans | -90.5 | 140.1 | 166.9 | 34.2 | -25.5 | 0 | 0 | 0 | 110.6 | T639 | T639-P641 VanDerWaalsContact O-CD 3.3Å; T639-P641 WeakPolarHBondContact O-CD 3.48Å |
| 642 | S | 26.9 | Very low | 35.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | 56.9 | 113.2 | 150 | 65.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 643 | V | 35.8 | Very low | 34.6 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | | -151.5 | 133.1 | 116.5 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 644 | P | 36.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -92.3 | 173.3 | -172.5 | 37.5 | -34.3 | 0 | 0 | 0 | 113.5 | | |
| 645 | A | 29.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | 86.7 | 88.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 646 | N | 31.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | | -156.5 | 146.4 | 111.2 | -126.4 | -19.8 | 0 | 0 | 0 | 113.8 | | |
| 647 | K | 30 | Very low | 32.4 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -55.3 | 129 | -173.4 | -63 | 161.4 | 175 | 177.8 | 0 | 113.2 | | |
| 648 | F | 36.4 | Very low | 32.1 | Very low | 212 Ų | 212 | 136.8 Ų | 136.8 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -148.1 | 124.4 | 131.4 | -93 | -74.1 | 0 | 0 | 0 | 109.4 | | |
| 649 | S | 29.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -62.7 | 134.1 | -179.7 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 650 | S | 36.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | | -167.4 | 119.4 | 127.1 | -164.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 651 | T | 29.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -68.4 | 123.6 | 178.4 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 652 | R | 33.5 | Very low | 31.4 | Very low | 250 Ų | 250 | 142.2 Ų | 142.2 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | | | trans | -139.7 | 96.4 | 148.6 | -152.1 | 179.2 | -162 | -142.5 | 4 | 108.9 | | |
| 653 | S | 28.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -74.9 | 166.9 | 169.1 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 654 | L | 29.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | 94.6 | 117.4 | -177.2 | -86.5 | 76.7 | 0 | 0 | 0 | 113.6 | | |
| 655 | S | 30.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | cis | -155.1 | 137.3 | 16.1 | -53 | 0 | 0 | 0 | 0 | 110.1 | | |
| 656 | Q | 29.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -76.8 | 117.4 | 156 | -83.4 | 171.3 | -54.3 | 0 | 0 | 107.4 | | |
| 657 | D | 30.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -116.3 | 120.5 | 149.9 | -90.2 | -36.7 | 0 | 0 | 0 | 107.4 | | |
| 658 | V | 32.8 | Very low | 32.8 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 56% | 0.564 | 79% | 0.794 | S | S | * | * | | | trans | -103.1 | 150.6 | -177.2 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 659 | H | 28.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 89.4 | 122.4 | 174 | -48.5 | -76.2 | 0 | 0 | 0 | 114.2 | | |
| 660 | H | 29.7 | Very low | 33.6 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | cis | -157.9 | 148 | 49 | -84.2 | -84.8 | 0 | 0 | 0 | 114.6 | | |
| 661 | T | 31.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 64.5 | 100.3 | 144.9 | 55.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 662 | S | 31.9 | Very low | 35 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -28.1 | 137.9 | 141.7 | 53.3 | 0 | 0 | 0 | 0 | 117 | | |
| 663 | G | 27.3 | Very low | 35.9 | Very low | 62 Ų | 62 | 145.9 Ų | 145.9 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | 113.8 | 79.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 664 | Y | 34.4 | Very low | 37.3 | Very low | 240 Ų | 240 | 150 Ų | 150 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | | | trans | -136.1 | 113.4 | 145.1 | -85.7 | -77.7 | 0 | 0 | 0 | 110.5 | | |
| 665 | K | 33 | Very low | 38.2 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -66.2 | 129.2 | 168.6 | -67 | -177.7 | 173.4 | -172.5 | 0 | 109.5 | | |
| 666 | S | 40.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 155 Ų | 155 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -137 | 71.3 | 151.2 | 48.5 | 0 | 0 | 0 | 0 | 107.8 | Q668 | S666-Q668 PolarHBondContact O-N 2.98Š|
| 667 | E | 41.5 | Very low | 40.4 | Very low | 163 Ų | 163 | 157.8 Ų | 157.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -64 | 100.6 | 166.5 | -75.1 | 173.5 | 171.1 | 0 | 0 | 107.3 | C669 | E667-C669 VanDerWaalsContact C-N 3.34Å; E667-C669 PolarHBondContact O-N 2.94Å |
| 668 | Q | 43.2 | Very low | 41.9 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | -59.9 | 95.6 | 171.9 | -84.7 | 176.9 | -18.4 | 0 | 0 | 109 | S666 R670 | S666-Q668 PolarHBondContact O-N 2.98Å; Q668-R670 VanDerWaalsContact C-N 3.3Å; Q668-R670 PolarHBondContact O-N 3.17Å |
| 669 | C | 37.3 | Very low | 43.1 | Very low | 117 Ų | 117 | 157 Ų | 157 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -58.5 | 92.5 | 164.5 | -75.6 | 0 | 0 | 0 | 0 | 109.3 | E667 T671 | E667-C669 VanDerWaalsContact C-N 3.34Å; E667-C669 PolarHBondContact O-N 2.94Å; C669-T671 PolarHBondContact O-N 3.05Å |
| 670 | R | 46 | Very low | 44.2 | Very low | 217 Ų | 217 | 158.6 Ų | 158.6 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | -68.4 | 98.9 | 167.2 | -69.2 | -176.4 | 176.6 | -175.6 | -1 | 107.7 | Q668 M672 | Q668-R670 VanDerWaalsContact C-N 3.3Å; Q668-R670 PolarHBondContact O-N 3.17Å; R670-M672 PolarHBondContact O-N 2.89Å |
| 671 | T | 49.6 | Very low | 45.1 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -63.4 | 101.5 | 172.1 | 37.6 | 0 | 0 | 0 | 0 | 109.2 | C669 V673 | C669-T671 PolarHBondContact O-N 3.05Å; T671-V673 PolarHBondContact O-N 2.77Å |
| 672 | M | 45.4 | Very low | 45.9 | Very low | 182 Ų | 182 | 161 Ų | 161 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -67.9 | 102.1 | 174.3 | -72.8 | -175.2 | 59.5 | 0 | 0 | 109.9 | R670 K674 | R670-M672 PolarHBondContact O-N 2.89Å; M672-K674 PolarHBondContact O-N 3.31Å |
| 673 | V | 51.1 | Low | 46.7 | Very low | 134 Ų | 134 | 160.5 Ų | 160.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 116.2 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | T671 | T671-V673 PolarHBondContact O-N 2.77Š|
| 674 | K | 59.8 | Low | 47.8 | Very low | 189 Ų | 189 | 164.8 Ų | 164.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.8 | 176.2 | -74.5 | 178.2 | 178.2 | 173.1 | 0 | 110.7 | M672 | M672-K674 PolarHBondContact O-N 3.31Š|
| 675 | P | 48 | Very low | 48.2 | Very low | 123 Ų | 123 | 159.5 Ų | 159.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.8 | 179 | 25.3 | -31.6 | 0 | 0 | 0 | 111.9 | | |
| 676 | R | 55.9 | Low | 48.7 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.3 | 175.6 | -77.5 | 178 | 164.8 | 161.2 | -4.1 | 110.5 | V678 | R676-V678 PolarHBondContact O-N 3.34Š|
| 677 | R | 50.2 | Low | 49.2 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.7 | 174.2 | -80.1 | 179.7 | 153.4 | 149 | -5.2 | 110.2 | | |
| 678 | V | 61.7 | Low | 49.3 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.7 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | R676 Y680 | R676-V678 PolarHBondContact O-N 3.34Å; V678-Y680 HydrophobicContact CB-CE2 4.47Å; V678-Y680 HydrophobicContact CG1-CD2 4.45Å; V678-Y680 HydrophobicContact CG1-CE1 4.46Å; V678-Y680 HydrophobicContact CG1-CE2 4.14Å |
| 679 | V | 59.1 | Low | 49.4 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | trans | -89.4 | 113.6 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | L681 | V679-L681 PolarHBondContact O-N 2.89Š|
| 680 | Y | 49.7 | Very low | 49.7 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -78.3 | 118.8 | 173 | -68.6 | -87 | 0 | 0 | 0 | 109 | V678 H682 | V678-Y680 HydrophobicContact CB-CE2 4.47Å; V678-Y680 HydrophobicContact CG1-CD2 4.45Å; V678-Y680 HydrophobicContact CG1-CE1 4.46Å; V678-Y680 HydrophobicContact CG1-CE2 4.14Å; Y680-H682 PolarHBondContact O-N 3.27Å |
| 681 | L | 49.8 | Very low | 49.5 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -73.6 | 111.2 | 166.1 | -80.8 | 149 | 0 | 0 | 0 | 107.5 | V679 T683 | V679-L681 PolarHBondContact O-N 2.89Å; L681-T683 PolarHBondContact O-N 2.75Å |
| 682 | H | 47.9 | Very low | 49 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | -64.1 | 124.1 | 167.7 | -68.1 | -78.8 | 0 | 0 | 0 | 107.9 | Y680 | Y680-H682 PolarHBondContact O-N 3.27Š|
| 683 | T | 49.3 | Very low | 48.6 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | -88.2 | 132.1 | 169.3 | 43.8 | 0 | 0 | 0 | 0 | 107.2 | L681 N685 | L681-T683 PolarHBondContact O-N 2.75Å; T683-N685 PolarHBondContact O-N 2.81Å |
| 684 | D | 49.2 | Very low | 47.8 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -69 | 38.3 | -169.5 | -65.8 | -46.9 | 0 | 0 | 0 | 115.2 | D686 | D684-D686 VanDerWaalsContact C-N 3.26Å; D684-D686 PolarHBondContact O-N 3.21Å |
| 685 | N | 42.8 | Very low | 46.4 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -0.8 | 176.4 | -85.7 | -10.5 | 0 | 0 | 0 | 114.2 | T683 A687 | T683-N685 PolarHBondContact O-N 2.81Å; N685-A687 VanDerWaalsContact C-N 3.33Å |
| 686 | D | 45.2 | Very low | 45.6 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -3.5 | 176.2 | -72.8 | -24.7 | 0 | 0 | 0 | 113.7 | D684 | D684-D686 VanDerWaalsContact C-N 3.26Å; D684-D686 PolarHBondContact O-N 3.21Å |
| 687 | A | 49.6 | Very low | 44.5 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -80.4 | -27 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N685 | N685-A687 VanDerWaalsContact C-N 3.33Š|
| 688 | E | 43.7 | Very low | 43.5 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -89.4 | -14.3 | -175 | -66.4 | -164.3 | 163.4 | 0 | 0 | 114.1 | K690 | E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.42Å |
| 689 | Q | 45.7 | Very low | 42 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -81 | -1.3 | 179.8 | -138.3 | 173.8 | 34.1 | 0 | 0 | 114.3 | | |
| 690 | K | 44 | Very low | 40.6 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -98.8 | 0 | 178.1 | -75.2 | -169.7 | 177.5 | -178.6 | 0 | 115.5 | E688 | E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.42Å |
| 691 | Q | 41 | Very low | 39.6 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -100.5 | -3.6 | 179.6 | -69.3 | -164.3 | 3.4 | 0 | 0 | 115.6 | | |
| 692 | T | 39.7 | Very low | 38.9 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -110.3 | 13 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 693 | S | 36.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -140 | 64.8 | 169.7 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 694 | S | 34.4 | Very low | 37.9 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -147.4 | 62.9 | 160.1 | 72.2 | 0 | 0 | 0 | 0 | 111 | | |
| 695 | V | 31.6 | Very low | 37.7 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -115.1 | 129.5 | 153.4 | 176.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 696 | V | 30.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 72 | 115.7 | -174.5 | -143.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 697 | T | 32.4 | Very low | 38 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | cis | -160.8 | 144.1 | 32.2 | -29.8 | 0 | 0 | 0 | 0 | 108.6 | L699 | T697-L699 PolarHBondContact O-N 3.18Š|
| 698 | T | 29 | Very low | 38 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -53.7 | 123.9 | 161.9 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 699 | L | 30.9 | Very low | 38.4 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | -154.1 | 104.8 | 157.6 | -102.7 | 141.8 | 0 | 0 | 0 | 110.4 | T697 | T697-L699 PolarHBondContact O-N 3.18Š|
| 700 | T | 30.2 | Very low | 38.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | 40.9 | 113.7 | 147.7 | 53.2 | 0 | 0 | 0 | 0 | 120.8 | T702 | T700-T702 PolarHBondContact O-N 3.34Š|
| 701 | R | 28.6 | Very low | 39.1 | Very low | 256 Ų | 256 | 135.6 Ų | 135.6 | 97% | 0.966 | 75% | 0.754 | S | S | * | * | | | trans | -59.4 | 103.9 | 161 | -81.8 | 174.7 | 159.3 | 161.4 | -5.6 | 112 | | |
| 702 | T | 35 | Very low | 39.9 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | trans | -153.9 | 146.3 | 149.2 | 40.7 | 0 | 0 | 0 | 0 | 106.5 | T700 | T700-T702 PolarHBondContact O-N 3.34Š|
| 703 | D | 35 | Very low | 40.5 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | 91.2 | 34.2 | -179.3 | -53.7 | -16.3 | 0 | 0 | 0 | 118.1 | | |
| 704 | V | 41 | Very low | 40.9 | Very low | 150 Ų | 150 | 143 Ų | 143 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -114.6 | 72.6 | 152.4 | -169.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 705 | N | 44.1 | Very low | 41.3 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | trans | -153.6 | 13 | 169.9 | -146.1 | 17.6 | 0 | 0 | 0 | 117.2 | | |
| 706 | E | 45.3 | Very low | 41.8 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -87.7 | -41.6 | 173.7 | -69.3 | -86.9 | 140.6 | 0 | 0 | 111 | A708 L709 | E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.2Å; E706-L709 PolarHBondContact O-N 3.47Å |
| 707 | D | 49.2 | Very low | 42.4 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -20.8 | -175.6 | -69.7 | -19.1 | 0 | 0 | 0 | 114.2 | | |
| 708 | A | 49.9 | Very low | 43 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 56% | 0.562 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E706 | E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.2Å |
| 709 | L | 53.7 | Low | 43.9 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -24.4 | -179.5 | -79.2 | 164.8 | 0 | 0 | 0 | 113 | E706 L711 | E706-L709 PolarHBondContact O-N 3.47Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.88Å |
| 710 | L | 49.8 | Very low | 44.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 63% | 0.634 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -72.1 | -20.1 | 176.9 | -77.2 | 166.6 | 0 | 0 | 0 | 113.3 | K712 | L710-K712 VanDerWaalsContact C-N 3.33Å; L710-K712 PolarHBondContact O-N 3.32Å |
| 711 | L | 53.2 | Low | 45.8 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -82.9 | 1 | 179.4 | -110.1 | 98.4 | 0 | 0 | 0 | 115.2 | L709 | L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.88Å |
| 712 | K | 57.1 | Low | 47.1 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -103.7 | -4.1 | 177 | -148.4 | 168.3 | -176.7 | 179 | 0 | 114.1 | L710 | L710-K712 VanDerWaalsContact C-N 3.33Å; L710-K712 PolarHBondContact O-N 3.32Å |
| 713 | G | 53.5 | Low | 48.1 | Very low | 71 Ų | 71 | 145.8 Ų | 145.8 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | -109.8 | 4.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 714 | W | 45.3 | Very low | 49.3 | Very low | 289 Ų | 289 | 144.4 Ų | 144.4 | 100% | 1.095 | 76% | 0.759 | S | S | * | * | | | trans | -119.6 | 0 | 174.6 | -78.2 | 58 | 0 | 0 | 0 | 108.4 | | |