| 1 | M | 44.9 | Very low | 50 | Low | 242 Ų | 242 | 141.5 Ų | 141.5 | 100% | 1.192 | 75% | 0.748 | S | S | * | * | | | | 0 | 142 | 0 | -50.5 | -172.9 | -170.8 | 0 | 0 | 107.7 | | |
| 2 | K | 38.6 | Very low | 51.5 | Low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | | | trans | 102.2 | 88.8 | 179.9 | -60.5 | -175.5 | 172.6 | -171.3 | 0 | 115.9 | | |
| 3 | T | 44.9 | Very low | 52.6 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | | | trans | -108.5 | 116.2 | 150.1 | 45.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 4 | E | 49.5 | Very low | 53.3 | Low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | trans | -133.1 | 132.2 | 177.8 | -86.1 | -174.7 | 129.7 | 0 | 0 | 111.9 | | |
| 5 | A | 52.4 | Low | 54.2 | Low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | | | trans | 67.8 | 82.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 6 | K | 53.9 | Low | 54.8 | Low | 171 Ų | 171 | 125 Ų | 125 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | | | trans | -154.3 | 41.9 | 155.1 | -137.1 | -169.8 | -177.6 | -169.8 | 0 | 114.7 | | |
| 7 | D | 50.9 | Low | 55.4 | Low | 112 Ų | 112 | 126.9 Ų | 126.9 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | | | trans | -130.4 | 14.7 | -173.5 | -141.5 | -21 | 0 | 0 | 0 | 113.2 | | |
| 8 | G | 49.9 | Very low | 56.1 | Low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -97.3 | -24.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 9 | E | 55 | Low | 56.6 | Low | 132 Ų | 132 | 131.9 Ų | 131.9 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -94.1 | -27 | -171.6 | 62.7 | -163.5 | -166.7 | 0 | 0 | 113.2 | L13 | E9-L13 WeakPolarHBondContact O-CG 3.1Å; E9-L13 PolarHBondContact O-N 3.23Å |
| 10 | E | 55.6 | Low | 56.5 | Low | 99 Ų | 99 | 131.5 Ų | 131.5 | 46% | 0.463 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -72.7 | -36.1 | 179.8 | 68.2 | -176.2 | -114.6 | 0 | 0 | 113.1 | S12 L13 Q14 | E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 3.46Å; E10-L13 PolarHBondContact O-N 3.27Å; E10-Q14 WeakPolarHBondContact O-CG 3.04Å; E10-Q14 PolarHBondContact O-N 2.71Å; E10-Q14 VanDerWaalsContact O-N 3.09Å |
| 11 | E | 54.7 | Low | 56.7 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.8 | -30.6 | 179.6 | -127.3 | -180 | 174.5 | 0 | 0 | 111.9 | T15 | E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 WeakPolarHBondContact O-CG2 3.32Å; E11-T15 PolarHBondContact O-N 2.96Å; E11-T15 PolarHBondContact O-OG1 3.28Å |
| 12 | S | 67.8 | Low | 57.4 | Low | 73 Ų | 73 | 128.7 Ų | 128.7 | 51% | 0.51 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.5 | -40.7 | 176.3 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | E10 T15 A16 | E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 3.46Å; S12-T15 WeakPolarHBondContact CA-OG1 3.23Å; S12-T15 PolarHBondContact O-OG1 2.78Å; S12-A16 WeakPolarHBondContact O-CB 3.38Å; S12-A16 PolarHBondContact O-N 2.84Å |
| 13 | L | 65.6 | Low | 57.8 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 56% | 0.56 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71 | -42.6 | 178 | -64.5 | 175.6 | 0 | 0 | 0 | 111.2 | E9 E10 T15 A16 F17 | E9-L13 WeakPolarHBondContact O-CG 3.1Å; E9-L13 PolarHBondContact O-N 3.23Å; E10-L13 PolarHBondContact O-N 3.27Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.07Å; L13-A16 WeakPolarHBondContact O-CB 3.38Å; L13-A16 PolarHBondContact O-N 3.5Å; L13-A16 VanDerWaalsContact O-N 3.15Å; L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 PolarHBondContact O-N 3.23Å |
| 14 | Q | 63.2 | Low | 58.2 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.1 | -35.7 | 177.3 | -69.8 | -177.7 | 15.9 | 0 | 0 | 112.4 | E10 K18 | E10-Q14 WeakPolarHBondContact O-CG 3.04Å; E10-Q14 PolarHBondContact O-N 2.71Å; E10-Q14 VanDerWaalsContact O-N 3.09Å; Q14-K18 PolarHBondContact O-N 2.75Å |
| 15 | T | 66.9 | Low | 58.4 | Low | 77 Ų | 77 | 122.7 Ų | 122.7 | 47% | 0.472 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.6 | -32.1 | 172.7 | 49.2 | 0 | 0 | 0 | 0 | 113 | E11 S12 L13 K18 K19 | E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 WeakPolarHBondContact O-CG2 3.32Å; E11-T15 PolarHBondContact O-N 2.96Å; E11-T15 PolarHBondContact O-OG1 3.28Å; S12-T15 WeakPolarHBondContact CA-OG1 3.23Å; S12-T15 PolarHBondContact O-OG1 2.78Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.07Å; T15-K18 PolarHBondContact O-N 3.46Å; T15-K19 WeakPolarHBondContact O-CG 3.21Å; T15-K19 PolarHBondContact O-N 3.42Å; T15-K19 VanDerWaalsContact O-N 3.08Å |
| 16 | A | 62.4 | Low | 58.4 | Low | 54 Ų | 54 | 121.6 Ų | 121.6 | 45% | 0.446 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -65.1 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S12 L13 K18 K19 L20 | S12-A16 WeakPolarHBondContact O-CB 3.38Å; S12-A16 PolarHBondContact O-N 2.84Å; L13-A16 WeakPolarHBondContact O-CB 3.38Å; L13-A16 PolarHBondContact O-N 3.5Å; L13-A16 VanDerWaalsContact O-N 3.15Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 2.06Å; A16-K19 PolarHBondContact O-N 3.04Å; A16-L20 PolarHBondContact O-N 2.89Å; A16-L20 VanDerWaalsContact O-N 3.09Å |
| 17 | F | 65.1 | Low | 57.8 | Low | 157 Ų | 157 | 119.3 Ų | 119.3 | 69% | 0.689 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.5 | -31.7 | 175.5 | -73.4 | -70.4 | 0 | 0 | 0 | 112.8 | L13 K19 L20 | L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 PolarHBondContact O-N 3.23Å; F17-K19 VanDerWaalsContact C-N 3.35Å; F17-L20 PolarHBondContact O-N 3.42Å |
| 18 | K | 69.1 | Low | 57.5 | Low | 163 Ų | 163 | 122.2 Ų | 122.2 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.4 | -26.8 | 175.2 | -167.1 | 172.1 | 174.8 | -179.8 | 0 | 113.1 | Q14 T15 A16 | Q14-K18 PolarHBondContact O-N 2.75Å; T15-K18 PolarHBondContact O-N 3.46Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 2.06Å |
| 19 | K | 65.1 | Low | 56.9 | Low | 186 Ų | 186 | 123.5 Ų | 123.5 | 81% | 0.809 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.6 | -18.9 | 173 | -75.2 | -172.3 | 173.3 | -178.6 | 0 | 113.3 | T15 A16 F17 R21 | T15-K19 WeakPolarHBondContact O-CG 3.21Å; T15-K19 PolarHBondContact O-N 3.42Å; T15-K19 VanDerWaalsContact O-N 3.08Å; A16-K19 PolarHBondContact O-N 3.04Å; F17-K19 VanDerWaalsContact C-N 3.35Å; K19-R21 PolarHBondContact O-N 3.21Å |
| 20 | L | 55.3 | Low | 56 | Low | 124 Ų | 124 | 122.3 Ų | 122.3 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | | | trans | -83.7 | 54.6 | 172 | -160.8 | 76.3 | 0 | 0 | 0 | 110.9 | A16 F17 V22 | A16-L20 PolarHBondContact O-N 2.89Å; A16-L20 VanDerWaalsContact O-N 3.09Å; F17-L20 PolarHBondContact O-N 3.42Å; L20-V22 PolarHBondContact O-N 3.02Å |
| 21 | R | 59.7 | Low | 55.1 | Low | 207 Ų | 207 | 126.1 Ų | 126.1 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | | | trans | -83.8 | 104.2 | 158.8 | -77.4 | -173.1 | 176.5 | 178.4 | -1.5 | 106.6 | K19 D23 | K19-R21 PolarHBondContact O-N 3.21Å; R21-D23 PolarHBondContact O-N 3.29Å; R21-D23 VanDerWaalsContact O-N 3.17Å |
| 22 | V | 60.2 | Low | 54.4 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | | | trans | -65.8 | 107.8 | 169.3 | 175.1 | 0 | 0 | 0 | 0 | 106.8 | L20 T24 | L20-V22 PolarHBondContact O-N 3.02Å; V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 3.06Å; V22-T24 PolarHBondContact O-OG1 3.47Å; V22-T24 VanDerWaalsContact O-OG1 3.05Å |
| 23 | D | 47 | Very low | 52.8 | Low | 150 Ų | 150 | 128.4 Ų | 128.4 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -60.1 | 95.3 | 170.2 | -76.3 | -33.9 | 0 | 0 | 0 | 108.4 | R21 A25 | R21-D23 PolarHBondContact O-N 3.29Å; R21-D23 VanDerWaalsContact O-N 3.17Å; D23-A25 PolarHBondContact O-N 2.04Å |
| 24 | T | 52.6 | Low | 51.3 | Low | 134 Ų | 134 | 126.5 Ų | 126.5 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | -87.5 | 33.2 | 177.7 | -37.8 | 0 | 0 | 0 | 0 | 110.3 | V22 | V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 3.06Å; V22-T24 PolarHBondContact O-OG1 3.47Å; V22-T24 VanDerWaalsContact O-OG1 3.05Å |
| 25 | A | 54.4 | Low | 49.9 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -151.1 | 80.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D23 | D23-A25 PolarHBondContact O-N 2.04Š|
| 26 | G | 52.8 | Low | 48.4 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | 168.6 | 41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 27 | S | 40.7 | Very low | 47.2 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -150.4 | 63.7 | 163.2 | -150.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 28 | I | 44.8 | Very low | 45.6 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | trans | -138.2 | 92.4 | 155.5 | -44.5 | 174.8 | 0 | 0 | 0 | 106.2 | | |
| 29 | A | 35.9 | Very low | 44.5 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | 159.9 | 110.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 30 | S | 36.2 | Very low | 43.1 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | | 167.1 | 107.6 | 111.7 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 31 | L | 37.9 | Very low | 42 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -139.5 | 85.4 | 136.7 | -79.7 | -178.3 | 0 | 0 | 0 | 106.5 | | |
| 32 | S | 39.5 | Very low | 40.9 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -109 | 102.6 | 161.1 | 63.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 33 | V | 34.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -81.3 | 125.9 | 161.4 | 172.5 | 0 | 0 | 0 | 0 | 106 | | |
| 34 | G | 34.5 | Very low | 39.3 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | -81.8 | 171.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 35 | E | 34.1 | Very low | 38.2 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | | | | 177.2 | 137.6 | 129.4 | -168.3 | 151.9 | -156.7 | 0 | 0 | 109 | | |
| 36 | G | 33.9 | Very low | 37 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | trans | 122.2 | 82.5 | 164 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 37 | T | 37.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | 39.7 | 113 | 130.3 | -42.7 | 0 | 0 | 0 | 0 | 121 | | |
| 38 | S | 31.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | | 161.6 | 132.8 | 122.7 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 39 | P | 46.5 | Very low | 35.4 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | trans | -102.7 | 138.5 | -176.7 | 36.3 | -27.6 | 0 | 0 | 0 | 112.7 | | |
| 40 | R | 35.9 | Very low | 35.5 | Very low | 248 Ų | 248 | 136.6 Ų | 136.6 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -162.7 | 141.4 | 142.9 | -131 | 167.1 | -91.2 | -173.3 | -7.5 | 115.3 | | |
| 41 | A | 31.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | 85.5 | 80.2 | 149 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 42 | L | 36.8 | Very low | 36 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | | | trans | -37.3 | 130.8 | 136.2 | 171 | 75.7 | 0 | 0 | 0 | 113.7 | R44 | L42-R44 HydrophobicContact CD1-CG 4.34Š|
| 43 | V | 34.7 | Very low | 35.9 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -155.7 | 129.2 | 136.2 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 44 | R | 38.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | trans | -76.7 | 159.4 | 174.2 | -55.6 | 170.6 | 166.9 | 126 | -4.6 | 109.2 | L42 | L42-R44 HydrophobicContact CD1-CG 4.34Š|
| 45 | T | 29.6 | Very low | 36.3 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | | 166 | 152.6 | 65.5 | 18 | 0 | 0 | 0 | 0 | 108.8 | | |
| 46 | A | 30.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | 73.2 | 117.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 47 | A | 37.4 | Very low | 36.5 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 5.8 | 134.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 48 | E | 30.3 | Very low | 36.7 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | | -166.8 | 151.4 | 127 | -146.6 | -169.8 | 155.4 | 0 | 0 | 111.5 | | |
| 49 | E | 36.9 | Very low | 37.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -80 | 173 | -175 | -47.5 | -165.2 | 164.3 | 0 | 0 | 113.3 | | |
| 50 | T | 37.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 124.5 | 115.4 | 145.8 | -43.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 51 | K | 40.9 | Very low | 37.5 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | 47.6 | 126.5 | 155.5 | -85.6 | 178.5 | 167.4 | 171.3 | 0 | 121.2 | | |
| 52 | P | 42.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 125.1 | 154.8 | 31.1 | -28.7 | 0 | 0 | 0 | 112.1 | | |
| 53 | K | 38.2 | Very low | 38.8 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 122.2 | 161.4 | -81.9 | 174.3 | 176.1 | 169 | 0 | 108.3 | V55 | K53-V55 PolarHBondContact O-N 2.83Š|
| 54 | N | 40.7 | Very low | 39 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.1 | 173.8 | -69 | -34.8 | 0 | 0 | 0 | 110.6 | | |
| 55 | V | 36.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 143 Ų | 143 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | | | trans | -125.8 | 105.2 | 159 | 173.1 | 0 | 0 | 0 | 0 | 106.1 | K53 T57 | K53-V55 PolarHBondContact O-N 2.83Å; V55-T57 HydrophobicContact CG1-CG2 4.44Å |
| 56 | C | 35.7 | Very low | 40.5 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -126.6 | 105.4 | 164.6 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | S58 | C56-S58 PolarHBondContact O-N 3.04Š|
| 57 | T | 36.7 | Very low | 41.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | | | trans | -76.5 | 108.7 | 174.7 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | V55 | V55-T57 HydrophobicContact CG1-CG2 4.44Š|
| 58 | S | 41.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -68.8 | 131.3 | 166.4 | 168.5 | 0 | 0 | 0 | 0 | 109.9 | C56 | C56-S58 PolarHBondContact O-N 3.04Š|
| 59 | K | 43.1 | Very low | 43.9 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -134.8 | 79 | 168.1 | -165.6 | 177.3 | -179.7 | -172.3 | 0 | 109.6 | | |
| 60 | E | 46.2 | Very low | 44.7 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | | | trans | -86.8 | 121.4 | 154.6 | -87.3 | -171.3 | 114.7 | 0 | 0 | 108.7 | W62 | E60-W62 PolarHBondContact OE1-NE1 2.87Š|
| 61 | T | 40.9 | Very low | 45.5 | Very low | 100 Ų | 100 | 153.7 Ų | 153.7 | 61% | 0.613 | 81% | 0.81 | S | S | * | * | | | trans | -150.3 | 99.2 | 156.2 | -50.3 | 0 | 0 | 0 | 0 | 109.1 | H63 | T61-H63 WeakPolarHBondContact CG2-NE2 3.49Š|
| 62 | W | 46.1 | Very low | 45.7 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | trans | -67.2 | 120.3 | 174.5 | -68.5 | 88.5 | 0 | 0 | 0 | 110.7 | E60 | E60-W62 PolarHBondContact OE1-NE1 2.87Š|
| 63 | H | 49.1 | Very low | 46.2 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | -125.7 | 114.3 | 170.2 | -72.5 | -63.1 | 0 | 0 | 0 | 110 | T61 | T61-H63 WeakPolarHBondContact CG2-NE2 3.49Š|
| 64 | G | 40.5 | Very low | 46.9 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | 172 | 22.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V66 | G64-V66 PolarHBondContact O-N 2.91Š|
| 65 | S | 46.5 | Very low | 47.9 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -85.9 | 95.2 | 170.8 | 179 | 0 | 0 | 0 | 0 | 109.2 | | |
| 66 | V | 52.8 | Low | 48.3 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 124.3 | 170 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | G64 | G64-V66 PolarHBondContact O-N 2.91Š|
| 67 | K | 60 | Low | 48.9 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.9 | -177.7 | -65.3 | 179.3 | 173.2 | 178.1 | 0 | 111.5 | | |
| 68 | K | 57.2 | Low | 49.7 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142 | 170.6 | -61 | 173.2 | 178 | 176.4 | 0 | 110.9 | | |
| 69 | P | 52.2 | Low | 50.3 | Low | 129 Ų | 129 | 159.8 Ų | 159.8 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 117.3 | 158.5 | 30.2 | -25.2 | 0 | 0 | 0 | 110.2 | | |
| 70 | T | 53.7 | Low | 51 | Low | 137 Ų | 137 | 159 Ų | 159 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -88.4 | 106.5 | 168.5 | -37.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 71 | R | 53 | Low | 51.6 | Low | 250 Ų | 250 | 163 Ų | 163 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | | | trans | -160.9 | 125.8 | 158.7 | -122.1 | 177.2 | -155 | -110.6 | 1 | 112.3 | | |
| 72 | G | 45.8 | Very low | 52.6 | Low | 73 Ų | 73 | 163.4 Ų | 163.4 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | 94.3 | 95.2 | 146 | 0 | 0 | 0 | 0 | 0 | 117.1 | V74 | G72-V74 PolarHBondContact O-N 3.29Š|
| 73 | A | 53 | Low | 53.2 | Low | 106 Ų | 106 | 162.3 Ų | 162.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | | | trans | -66.9 | 118.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 74 | V | 52.8 | Low | 53.7 | Low | 120 Ų | 120 | 158 Ų | 158 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -125.3 | 106.1 | 156.6 | 179 | 0 | 0 | 0 | 0 | 106.3 | G72 T76 | G72-V74 PolarHBondContact O-N 3.29Å; V74-T76 HydrophobicContact CG1-CG2 4.3Å; V74-T76 PolarHBondContact O-N 3.03Å |
| 75 | R | 62 | Low | 54.7 | Low | 254 Ų | 254 | 159.6 Ų | 159.6 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 97.3 | 171.4 | -84.5 | 178.2 | 147 | 111.2 | -4.4 | 108.2 | | |
| 76 | T | 45.3 | Very low | 55.4 | Low | 125 Ų | 125 | 160.7 Ų | 160.7 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -81.8 | 122.4 | 166.3 | 53.1 | 0 | 0 | 0 | 0 | 109 | V74 R78 | V74-T76 HydrophobicContact CG1-CG2 4.3Å; V74-T76 PolarHBondContact O-N 3.03Å; T76-R78 PolarHBondContact O-N 3.21Å |
| 77 | Q | 48.3 | Very low | 56 | Low | 184 Ų | 184 | 161.8 Ų | 161.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -51.7 | 127.9 | -178.8 | -175.7 | 166 | -14.8 | 0 | 0 | 111.8 | R79 | Q77-R79 PolarHBondContact O-N 2.75Š|
| 78 | R | 53.2 | Low | 56.2 | Low | 183 Ų | 183 | 160.3 Ų | 160.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | -46 | 88.1 | 174.4 | -175.5 | -177.4 | -175.8 | -113 | 21.8 | 112.1 | T76 R80 | T76-R78 PolarHBondContact O-N 3.21Å; R78-R80 HydrophobicContact CG-CG 4.2Å; R78-R80 PolarHBondContact O-N 3.15Å |
| 79 | R | 54.5 | Low | 56.6 | Low | 238 Ų | 238 | 156.3 Ų | 156.3 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -88.8 | 82.1 | 161.2 | -81.2 | -172.2 | 168 | -100.2 | 1.9 | 108.5 | Q77 R81 | Q77-R79 PolarHBondContact O-N 2.75Å; R79-R81 PolarHBondContact O-N 2.9Å |
| 80 | R | 59 | Low | 57.3 | Low | 183 Ų | 183 | 154.8 Ų | 154.8 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -57.4 | 117.2 | 157.2 | -83.8 | -169.3 | 166.8 | -162.4 | 0.7 | 108 | R78 | R78-R80 HydrophobicContact CG-CG 4.2Å; R78-R80 PolarHBondContact O-N 3.15Å |
| 81 | R | 58.5 | Low | 57.7 | Low | 226 Ų | 226 | 157.8 Ų | 157.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 144.3 | 104.6 | 147.9 | -80.7 | 174.6 | -174 | -78.3 | 2 | 107.5 | R79 K83 | R79-R81 PolarHBondContact O-N 2.9Å; R81-K83 PolarHBondContact O-N 3.3Å |
| 82 | S | 60.7 | Low | 58.2 | Low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -48 | 127.7 | 155.4 | 39.3 | 0 | 0 | 0 | 0 | 107.4 | S84 | S82-S84 PolarHBondContact O-N 2.94Š|
| 83 | K | 58.3 | Low | 59.2 | Low | 203 Ų | 203 | 157.3 Ų | 157.3 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | 68.6 | 169.7 | -72 | 163.5 | 176.7 | 176 | 0 | 107.4 | R81 | R81-K83 PolarHBondContact O-N 3.3Š|
| 84 | S | 60.2 | Low | 59.5 | Low | 82 Ų | 82 | 160.4 Ų | 160.4 | 57% | 0.573 | 77% | 0.769 | S | S | * | * | | | trans | -74.3 | 130.1 | 154.2 | 38.7 | 0 | 0 | 0 | 0 | 106.5 | S82 I86 | S82-S84 PolarHBondContact O-N 2.94Å; S84-I86 PolarHBondContact O-N 3.29Å |
| 85 | P | 62.3 | Low | 59.3 | Low | 108 Ų | 108 | 160.2 Ų | 160.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -55.7 | 132 | 166.2 | 23.2 | -29 | 0 | 0 | 0 | 107.1 | L87 | P85-L87 PolarHBondContact O-N 3.05Š|
| 86 | I | 61.7 | Low | 58.5 | Low | 148 Ų | 148 | 151.9 Ų | 151.9 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -65.1 | 94.3 | 174.9 | -61.3 | 168 | 0 | 0 | 0 | 105.5 | S84 H88 | S84-I86 PolarHBondContact O-N 3.29Å; I86-H88 PolarHBondContact O-N 2.79Å |
| 87 | L | 65.3 | Low | 58.7 | Low | 158 Ų | 158 | 153 Ų | 153 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -66.3 | 107.6 | 168.2 | -79.1 | 167.4 | 0 | 0 | 0 | 105.9 | P85 | P85-L87 PolarHBondContact O-N 3.05Š|
| 88 | H | 62.6 | Low | 58.9 | Low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.4 | 166.2 | -73.3 | -71.5 | 0 | 0 | 0 | 107.9 | I86 | I86-H88 PolarHBondContact O-N 2.79Š|
| 89 | P | 65.8 | Low | 58.6 | Low | 106 Ų | 106 | 149.2 Ų | 149.2 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.6 | 175 | 23.7 | -31.5 | 0 | 0 | 0 | 108.8 | K91 | P89-K91 PolarHBondContact O-N 3.27Š|
| 90 | P | 67.9 | Low | 57.8 | Low | 96 Ų | 96 | 147.4 Ų | 147.4 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.2 | 179 | 21.1 | -29.7 | 0 | 0 | 0 | 109.2 | F92 | P90-F92 HydrophobicContact CG-CE2 4.12Å; P90-F92 HydrophobicContact CG-CZ 4.19Å; P90-F92 WeakPolarHBondContact O-CD2 3.12Å; P90-F92 PolarHBondContact O-N 3.17Å |
| 91 | K | 61.1 | Low | 57.3 | Low | 201 Ų | 201 | 144.1 Ų | 144.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -71.8 | 99.5 | 172.6 | -67.6 | -177.6 | 179.2 | 175.8 | 0 | 107.2 | P89 I93 | P89-K91 PolarHBondContact O-N 3.27Å; K91-I93 PolarHBondContact O-N 3.42Å |
| 92 | F | 64.4 | Low | 56.7 | Low | 166 Ų | 166 | 139.9 Ų | 139.9 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | -64.4 | 107.4 | 169 | -65.6 | -83.3 | 0 | 0 | 0 | 108.2 | P90 H94 | P90-F92 HydrophobicContact CG-CE2 4.12Å; P90-F92 HydrophobicContact CG-CZ 4.19Å; P90-F92 WeakPolarHBondContact O-CD2 3.12Å; P90-F92 PolarHBondContact O-N 3.17Å; F92-H94 PolarHBondContact O-N 3.2Å |
| 93 | I | 66.9 | Low | 55.6 | Low | 147 Ų | 147 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -77.6 | 105.8 | 166.1 | -58.6 | 179.6 | 0 | 0 | 0 | 105.5 | K91 C95 | K91-I93 PolarHBondContact O-N 3.42Å; I93-C95 PolarHBondContact O-N 3.44Å |
| 94 | H | 57.8 | Low | 54.7 | Low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | | | trans | -68.2 | 101.4 | 168.3 | -71.2 | -82.2 | 0 | 0 | 0 | 108 | F92 S96 | F92-H94 PolarHBondContact O-N 3.2Å; H94-S96 PolarHBondContact O-N 3.35Å |
| 95 | C | 48.3 | Very low | 53.8 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 81.8 | 163.6 | -63.6 | 0 | 0 | 0 | 0 | 108 | I93 T97 | I93-C95 PolarHBondContact O-N 3.44Å; C95-T97 PolarHBondContact O-N 3.34Å |
| 96 | S | 47.1 | Very low | 52.8 | Low | 78 Ų | 78 | 143 Ų | 143 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | | | trans | -66.3 | 119.6 | 162.1 | 66 | 0 | 0 | 0 | 0 | 106.9 | H94 K98 | H94-S96 PolarHBondContact O-N 3.35Å; S96-K98 PolarHBondContact O-N 2.95Å |
| 97 | T | 49 | Very low | 51.9 | Low | 150 Ų | 150 | 142.5 Ų | 142.5 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | | | trans | -61.2 | 84.6 | 166.1 | 39.3 | 0 | 0 | 0 | 0 | 108.7 | C95 | C95-T97 PolarHBondContact O-N 3.34Š|
| 98 | K | 51.8 | Low | 50.3 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -109.9 | 124.9 | 165.1 | -70.8 | -178.3 | -179.3 | 179.2 | 0 | 107.2 | S96 | S96-K98 PolarHBondContact O-N 2.95Š|
| 99 | S | 47.6 | Very low | 49.2 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -35.8 | 135.1 | 174.1 | 35.1 | 0 | 0 | 0 | 0 | 112.3 | S101 | S99-S101 PolarHBondContact O-N 3.31Š|
| 100 | H | 38.1 | Very low | 47.7 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | | | trans | -47.8 | 107 | 173.4 | -65.1 | -89.2 | 0 | 0 | 0 | 110.9 | | |
| 101 | S | 48.7 | Very low | 46.1 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -102.2 | 107.5 | 160.4 | -178.5 | 0 | 0 | 0 | 0 | 107 | S99 C103 | S99-S101 PolarHBondContact O-N 3.31Å; S101-C103 PolarHBondContact O-N 2.7Å |
| 102 | T | 45.3 | Very low | 44.9 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -59.3 | 112.4 | 174.3 | 20.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 103 | C | 36.3 | Very low | 43.3 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -156.3 | 79.1 | 152.3 | -164.4 | 0 | 0 | 0 | 0 | 109.6 | S101 | S101-C103 PolarHBondContact O-N 2.7Š|
| 104 | N | 41.4 | Very low | 42.3 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -63.6 | 130.7 | 150.1 | -69.2 | -44.6 | 0 | 0 | 0 | 106.4 | | |
| 105 | Q | 40.2 | Very low | 41.8 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 176.1 | 142.6 | 139.6 | -84.4 | -103.3 | 34.4 | 0 | 0 | 110.8 | | |
| 106 | L | 42.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | 86 | 81.7 | 157.6 | -67.7 | 155.5 | 0 | 0 | 0 | 118.7 | R108 | L106-R108 PolarHBondContact O-N 3.06Š|
| 107 | V | 40.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | | -28.9 | 114.7 | 125.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 108 | R | 32.8 | Very low | 39.8 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -139.1 | 118.3 | 143.1 | -82.8 | -161.9 | 176.3 | 146.9 | 0.1 | 111.4 | L106 | L106-R108 PolarHBondContact O-N 3.06Š|
| 109 | K | 39.4 | Very low | 39 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -66.7 | 129.6 | 162 | -176.4 | 91.1 | 164.8 | -175.3 | 0 | 108.8 | | |
| 110 | S | 33.6 | Very low | 38.2 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -162.1 | 109.5 | 146.9 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 111 | Q | 36 | Very low | 37.9 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -67.6 | 132 | 155.7 | 178.5 | -168.3 | 54.1 | 0 | 0 | 107.6 | | |
| 112 | I | 34.9 | Very low | 37 | Very low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -142.8 | 123.3 | 164.1 | -60.3 | 178 | 0 | 0 | 0 | 106.9 | | |
| 113 | D | 31.8 | Very low | 36.9 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -124.5 | 127.7 | 142.1 | -92.3 | -40.3 | 0 | 0 | 0 | 106.7 | | |
| 114 | A | 44.5 | Very low | 37 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -83.9 | -177.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 115 | P | 48.5 | Very low | 36.7 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | | -154.7 | 164 | 59.7 | 40.5 | -17.8 | 0 | 0 | 0 | 116.9 | | |
| 116 | D | 33.9 | Very low | 36.3 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | | 157.1 | 134.9 | 110.9 | -89.7 | -26.8 | 0 | 0 | 0 | 114.2 | | |
| 117 | D | 31.9 | Very low | 36.3 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 44.8 | 116.2 | 144.5 | -67.6 | -24.9 | 0 | 0 | 0 | 121.4 | | |
| 118 | S | 35.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | | 167.7 | 138.6 | 103.1 | 52 | 0 | 0 | 0 | 0 | 113.2 | | |
| 119 | T | 34.2 | Very low | 35.6 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | 56.3 | 121.7 | 139.4 | -50 | 0 | 0 | 0 | 0 | 120.1 | | |
| 120 | G | 30.7 | Very low | 35.3 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 152.3 | 111.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 121 | F | 33.6 | Very low | 35.2 | Very low | 220 Ų | 220 | 128.7 Ų | 128.7 | 97% | 0.965 | 79% | 0.793 | S | S | * | * | | | trans | -46.3 | 151.3 | 172.8 | -71.5 | -97.8 | 0 | 0 | 0 | 116.2 | | |
| 122 | G | 29.9 | Very low | 34.8 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 155.2 | 96.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 123 | M | 41.6 | Very low | 34.7 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -74.8 | 152.9 | 149.7 | -82.9 | -161.8 | 73 | 0 | 0 | 108.6 | A125 | M123-A125 HydrophobicContact CE-CB 4.02Š|
| 124 | P | 38.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | | -139.7 | 147.8 | 96.1 | 32.4 | -16.6 | 0 | 0 | 0 | 113.8 | | |
| 125 | A | 36.3 | Very low | 33.8 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 81% | 0.807 | S | S | * | * | | | trans | -70.9 | 137.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110 | M123 | M123-A125 HydrophobicContact CE-CB 4.02Š|
| 126 | T | 31.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -128.1 | 108.9 | 158.7 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 127 | K | 41.4 | Very low | 33 | Very low | 214 Ų | 214 | 139.5 Ų | 139.5 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | | | trans | -69.7 | 130.6 | 161.3 | -73 | 178.1 | 175.1 | 176.8 | 0 | 108 | | |
| 128 | A | 31.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -132.2 | 128.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 129 | A | 28 | Very low | 33.5 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | trans | -97.7 | 148.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 130 | C | 32 | Very low | 33.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | 58.8 | 116.7 | 141.6 | -61 | 0 | 0 | 0 | 0 | 122.2 | | |
| 131 | A | 33.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | | -155.8 | 105.5 | 125.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 132 | R | 27.2 | Very low | 33.9 | Very low | 239 Ų | 239 | 135.7 Ų | 135.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | | 61 | 99.3 | 95 | -165.6 | 175.5 | -178.3 | 163.7 | 0.2 | 110 | | |
| 133 | E | 31.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | | -127.9 | 127.7 | 74.2 | -78.5 | 162.7 | 144.2 | 0 | 0 | 114.7 | | |
| 134 | Q | 31.2 | Very low | 33.8 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | trans | -100.5 | 146.1 | 155.6 | -87.7 | 170.6 | -7.8 | 0 | 0 | 107.5 | | |
| 135 | C | 26.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | | -157 | 112.6 | 118.5 | -99.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 136 | H | 37.9 | Very low | 33 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | | | trans | -66 | 160.3 | 156.2 | -68.1 | -101.4 | 0 | 0 | 0 | 109.8 | | |
| 137 | I | 29 | Very low | 32.8 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | | -170.2 | 122.2 | 124.9 | -87.7 | 151.1 | 0 | 0 | 0 | 107.4 | | |
| 138 | A | 38.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -102 | 146.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 139 | P | 39.5 | Very low | 32 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | | -144.1 | 156.8 | 99.3 | 26.9 | -5.1 | 0 | 0 | 0 | 112.2 | | |
| 140 | D | 32.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | 103.7 | 138.1 | 37.8 | -147.9 | 10.5 | 0 | 0 | 0 | 112.3 | | |
| 141 | L | 39.4 | Very low | 32 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | | | trans | 73 | 148.6 | 154.9 | -52.9 | -178.6 | 0 | 0 | 0 | 121.2 | | |
| 142 | N | 35.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | | | cis | 172.8 | 170.9 | -11.2 | -172.4 | 1.4 | 0 | 0 | 0 | 107.6 | | |
| 143 | R | 36.1 | Very low | 31.5 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | 100.8 | 118.2 | 152.3 | -66.8 | -176.3 | 160.7 | -101.1 | 1.4 | 116.7 | | |
| 144 | K | 33.4 | Very low | 31.4 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | cis | 84.8 | 97.9 | 47.2 | -167.4 | 171.9 | -175.7 | -178.5 | 0 | 113.2 | | |
| 145 | G | 29.8 | Very low | 31.1 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 52.8 | 126.5 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 146 | A | 28.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -154.8 | 151.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 147 | D | 27.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -105.8 | 171.5 | -165 | 179.1 | 27.1 | 0 | 0 | 0 | 110.9 | | |
| 148 | V | 31.2 | Very low | 30.4 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 62% | 0.618 | 77% | 0.765 | S | S | * | * | | | trans | 87.9 | 137.7 | 156.6 | -166.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 149 | E | 25.4 | Very low | 29.7 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | 85.7 | 103.4 | 159 | -91.5 | 160.9 | 163.1 | 0 | 0 | 118.1 | | |
| 150 | S | 29.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | | 64.8 | 97 | 69.8 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 151 | F | 29.6 | Very low | 29 | Very low | 212 Ų | 212 | 132.9 Ų | 132.9 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | trans | -137.8 | 116.2 | 148.3 | -78.9 | -76.5 | 0 | 0 | 0 | 109.1 | | |
| 152 | G | 24.9 | Very low | 28.4 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | -84.6 | -175.4 | 162 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 153 | A | 25.6 | Very low | 28.1 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | 85.2 | 131.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 154 | S | 28.6 | Very low | 27.6 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | cis | -165.3 | 143.2 | 6.9 | 41.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 155 | V | 26 | Very low | 27.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 7.8 | 119.1 | 139.6 | -176.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 156 | T | 27.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -144 | 93 | 132.8 | -49.1 | 0 | 0 | 0 | 0 | 108.2 | L158 | T156-L158 HydrophobicContact CG2-CD1 4.12Å; T156-L158 HydrophobicContact CG2-CG 4.42Å |
| 157 | E | 25.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | -62.7 | 121.3 | 157.5 | -176.9 | 177.6 | -174.9 | 0 | 0 | 108 | V159 | E157-V159 HydrophobicContact CG-CG2 4.25Š|
| 158 | L | 25.8 | Very low | 28.2 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -128.2 | 85.2 | 162.1 | -99.7 | 157.4 | 0 | 0 | 0 | 107.3 | T156 S160 | T156-L158 HydrophobicContact CG2-CD1 4.12Å; T156-L158 HydrophobicContact CG2-CG 4.42Å; L158-S160 PolarHBondContact O-N 3.21Å |
| 159 | V | 25 | Very low | 28 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | trans | -59.7 | 121.4 | 152.2 | 168.6 | 0 | 0 | 0 | 0 | 107.2 | E157 Q161 | E157-V159 HydrophobicContact CG-CG2 4.25Å; V159-Q161 HydrophobicContact CG1-CB 4.44Å |
| 160 | S | 29.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -136.4 | 114.8 | 154.2 | -168.3 | 0 | 0 | 0 | 0 | 107.9 | L158 N162 | L158-S160 PolarHBondContact O-N 3.21Å; S160-N162 PolarHBondContact OG-OD1 3.43Å |
| 161 | Q | 26.4 | Very low | 28.5 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -120.8 | 101.1 | -170.3 | -172.7 | -172.1 | 57.8 | 0 | 0 | 106.8 | V159 | V159-Q161 HydrophobicContact CG1-CB 4.44Š|
| 162 | N | 27.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -136.2 | 88.7 | 178.3 | -57.6 | 40.4 | 0 | 0 | 0 | 110.4 | S160 | S160-N162 PolarHBondContact OG-OD1 3.43Š|
| 163 | K | 27.7 | Very low | 29.1 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | 10.7 | 129.4 | 144.3 | -165.3 | 169.2 | 178.5 | -175.1 | 0 | 121.7 | | |
| 164 | S | 26.6 | Very low | 29.4 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | | | trans | 14 | 136.6 | 151.1 | 72.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 165 | E | 26.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | | -171.8 | 160.1 | 112 | -99.9 | 174.5 | -178.2 | 0 | 0 | 111.8 | | |
| 166 | E | 27.7 | Very low | 30.7 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -108 | 142.3 | -154.6 | 169.1 | 160.1 | -172.7 | 0 | 0 | 113.6 | | |
| 167 | S | 35.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 80.7 | 168.5 | 152.6 | 81.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 168 | P | 42.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | | -133.8 | 159.7 | -72 | 37.9 | -21.3 | 0 | 0 | 0 | 112.7 | | |
| 169 | A | 26.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | 151.8 | 101.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 170 | A | 30.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | -168.3 | 82.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S172 | A170-S172 PolarHBondContact O-N 3.26Å; A170-S172 VanDerWaalsContact O-N 3.08Å |
| 171 | I | 35 | Very low | 34.7 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 101.9 | 168.5 | -59.9 | 164.5 | 0 | 0 | 0 | 106.1 | | |
| 172 | S | 31.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -103.2 | 101.1 | 161.4 | -163.7 | 0 | 0 | 0 | 0 | 108.6 | A170 V174 | A170-S172 PolarHBondContact O-N 3.26Å; A170-S172 VanDerWaalsContact O-N 3.08Å; S172-V174 PolarHBondContact O-N 3.15Å |
| 173 | L | 35.5 | Very low | 36.9 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | trans | -40.3 | 120.6 | -177 | -159.4 | 76.2 | 0 | 0 | 0 | 113.5 | S175 | L173-S175 PolarHBondContact O-N 3.45Å; L173-S175 VanDerWaalsContact O-N 3.07Å |
| 174 | V | 32.8 | Very low | 38.1 | Very low | 109 Ų | 109 | 129 Ų | 129 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | | | trans | -37.7 | 111.2 | 152.9 | 171 | 0 | 0 | 0 | 0 | 109.9 | S172 K176 | S172-V174 PolarHBondContact O-N 3.15Å; V174-K176 HydrophobicContact CG1-CB 3.74Å; V174-K176 HydrophobicContact CG1-CD 4.29Å; V174-K176 HydrophobicContact CG1-CG 3.79Å; V174-K176 PolarHBondContact O-N 3.47Å |
| 175 | S | 37.1 | Very low | 39.5 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -81.3 | 78.5 | 158.3 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | L173 T177 | L173-S175 PolarHBondContact O-N 3.45Å; L173-S175 VanDerWaalsContact O-N 3.07Å; S175-T177 PolarHBondContact O-N 3.25Å |
| 176 | K | 43.6 | Very low | 41.5 | Very low | 191 Ų | 191 | 124.8 Ų | 124.8 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | | | trans | -68.1 | 79.8 | 159.5 | -118 | 178.1 | 176.1 | 172.8 | 0 | 106.3 | V174 S178 | V174-K176 HydrophobicContact CG1-CB 3.74Å; V174-K176 HydrophobicContact CG1-CD 4.29Å; V174-K176 HydrophobicContact CG1-CG 3.79Å; V174-K176 PolarHBondContact O-N 3.47Å; K176-S178 VanDerWaalsContact C-N 3.27Å; K176-S178 PolarHBondContact O-N 3.08Å |
| 177 | T | 36.4 | Very low | 43.4 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | -84.7 | 86.6 | 160.8 | 54.7 | 0 | 0 | 0 | 0 | 106.9 | S175 L179 | S175-T177 PolarHBondContact O-N 3.25Å; T177-L179 VanDerWaalsContact C-N 3.27Å; T177-L179 PolarHBondContact O-N 3.24Å |
| 178 | S | 47 | Very low | 44.7 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | trans | -53.2 | 98.5 | 152.2 | 173.5 | 0 | 0 | 0 | 0 | 107 | K176 | K176-S178 VanDerWaalsContact C-N 3.27Å; K176-S178 PolarHBondContact O-N 3.08Å |
| 179 | L | 40.7 | Very low | 45.7 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 70% | 0.699 | S | S | * | * | | | trans | -104.6 | 126.2 | 168.1 | -69.3 | 177.7 | 0 | 0 | 0 | 107.5 | T177 | T177-L179 VanDerWaalsContact C-N 3.27Å; T177-L179 PolarHBondContact O-N 3.24Å |
| 180 | K | 42.8 | Very low | 47.3 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | | | trans | -56.2 | 141.1 | -166.6 | -64 | 168.5 | 179.7 | 174.9 | 0 | 109.6 | T182 E183 | K180-T182 PolarHBondContact O-N 2.8Å; K180-E183 PolarHBondContact O-N 2.72Å |
| 181 | T | 50.2 | Low | 48.8 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 84% | 0.84 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -9.9 | 173.1 | 38.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 182 | T | 47.9 | Very low | 50.2 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 69% | 0.693 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -29.5 | 173.8 | -43.3 | 0 | 0 | 0 | 0 | 114 | K180 | K180-T182 PolarHBondContact O-N 2.8Š|
| 183 | E | 52 | Low | 51.6 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -9.6 | -171 | -144.6 | -170 | -170.8 | 0 | 0 | 113.9 | K180 | K180-E183 PolarHBondContact O-N 2.72Š|
| 184 | L | 51.7 | Low | 52.8 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 3.8 | 176.8 | -65.7 | 176.4 | 0 | 0 | 0 | 113.5 | D186 V190 | L184-D186 PolarHBondContact O-N 2.96Å; L184-V190 HydrophobicContact CD2-CG2 4.34Å |
| 185 | S | 56.3 | Low | 54 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 74% | 0.741 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -76 | -10.4 | -174.6 | -157 | 0 | 0 | 0 | 0 | 114.1 | | |
| 186 | D | 69.6 | Low | 55.2 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | | | trans | -109.2 | 120.9 | 179.3 | -162.5 | -15.1 | 0 | 0 | 0 | 110.2 | L184 E188 S189 V190 | L184-D186 PolarHBondContact O-N 2.96Å; D186-E188 PolarHBondContact O-N 3.29Å; D186-E188 VanDerWaalsContact O-N 3.1Å; D186-E188 PolarHBondContact OD1-N 2.78Å; D186-E188 VanDerWaalsContact OD1-N 3.12Å; D186-S189 WeakPolarHBondContact O-CB 3.44Å; D186-S189 PolarHBondContact O-N 2.96Å; D186-V190 PolarHBondContact O-N 3.22Å |
| 187 | F | 65.8 | Low | 56.4 | Low | 187 Ų | 187 | 110.7 Ų | 110.7 | 82% | 0.82 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.5 | -25.8 | 176.7 | -72.8 | -85.7 | 0 | 0 | 0 | 111.4 | S191 | F187-S191 PolarHBondContact O-N 3.12Å; F187-S191 VanDerWaalsContact O-N 3.15Å |
| 188 | E | 63.9 | Low | 57.9 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -42.7 | 174 | -167.5 | 177.1 | 170.7 | 0 | 0 | 112.4 | D186 V190 S191 K192 | D186-E188 PolarHBondContact O-N 3.29Å; D186-E188 VanDerWaalsContact O-N 3.1Å; D186-E188 PolarHBondContact OD1-N 2.78Å; D186-E188 VanDerWaalsContact OD1-N 3.12Å; E188-V190 VanDerWaalsContact C-N 3.35Å; E188-V190 PolarHBondContact O-N 3.29Å; E188-S191 PolarHBondContact O-N 3.37Å; E188-S191 PolarHBondContact O-OG 3Å; E188-K192 HydrophobicContact CG-CD 4.34Å; E188-K192 WeakPolarHBondContact O-CG 3.45Å; E188-K192 PolarHBondContact O-N 3.45Å; E188-K192 WeakPolarHBondContact OE1-CE 3.24Å; E188-K192 IonicContact OE1-NZ 2.64Å; E188-K192 PolarHBondContact OE1-NZ 3.27Å |
| 189 | S | 63.8 | Low | 59.2 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 34% | 0.343 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -38.5 | 179.4 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | D186 L193 | D186-S189 WeakPolarHBondContact O-CB 3.44Å; D186-S189 PolarHBondContact O-N 2.96Å; S189-L193 PolarHBondContact O-N 3.12Å |
| 190 | V | 60.1 | Low | 60.7 | Low | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -38.6 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 111 | L184 D186 E188 N194 | L184-V190 HydrophobicContact CD2-CG2 4.34Å; D186-V190 PolarHBondContact O-N 3.22Å; E188-V190 VanDerWaalsContact C-N 3.35Å; E188-V190 PolarHBondContact O-N 3.29Å; V190-N194 PolarHBondContact O-N 2.78Å |
| 191 | S | 62.3 | Low | 62.3 | Low | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.8 | -44.4 | 177.9 | 77.1 | 0 | 0 | 0 | 0 | 112 | F187 E188 L193 N194 T195 | F187-S191 PolarHBondContact O-N 3.12Å; F187-S191 VanDerWaalsContact O-N 3.15Å; E188-S191 PolarHBondContact O-N 3.37Å; E188-S191 PolarHBondContact O-OG 3Å; S191-L193 PolarHBondContact O-N 3.25Å; S191-N194 PolarHBondContact O-N 3.46Å; S191-T195 WeakPolarHBondContact O-CG2 3.43Å; S191-T195 PolarHBondContact O-N 3.43Å |
| 192 | K | 63.1 | Low | 63 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 50% | 0.496 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -37.7 | 180 | -71.9 | 173.1 | -178.4 | 167.2 | 0 | 112.5 | E188 N194 T195 | E188-K192 HydrophobicContact CG-CD 4.34Å; E188-K192 WeakPolarHBondContact O-CG 3.45Å; E188-K192 PolarHBondContact O-N 3.45Å; E188-K192 WeakPolarHBondContact OE1-CE 3.24Å; E188-K192 IonicContact OE1-NZ 2.64Å; E188-K192 PolarHBondContact OE1-NZ 3.27Å; K192-N194 VanDerWaalsContact C-N 3.25Å; K192-N194 PolarHBondContact O-N 2.82Å; K192-T195 PolarHBondContact O-N 3.31Å; K192-T195 PolarHBondContact O-OG1 3.4Å |
| 193 | L | 61.4 | Low | 63.6 | Low | 119 Ų | 119 | 102.4 Ų | 102.4 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -27 | 178.4 | -162.5 | 110.9 | 0 | 0 | 0 | 113 | S189 S191 | S189-L193 PolarHBondContact O-N 3.12Å; S191-L193 PolarHBondContact O-N 3.25Å |
| 194 | N | 59.5 | Low | 64.1 | Low | 86 Ų | 86 | 106.7 Ų | 106.7 | 46% | 0.46 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -85.6 | -23.8 | 178.9 | -171.8 | -100.5 | 0 | 0 | 0 | 113.2 | V190 S191 K192 N196 | V190-N194 PolarHBondContact O-N 2.78Å; S191-N194 PolarHBondContact O-N 3.46Å; K192-N194 VanDerWaalsContact C-N 3.25Å; K192-N194 PolarHBondContact O-N 2.82Å; N194-N196 PolarHBondContact O-N 3.12Å; N194-N196 VanDerWaalsContact O-N 3.15Å |
| 195 | T | 59.8 | Low | 65 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.6 | -25 | -177.8 | 60 | 0 | 0 | 0 | 0 | 115 | S191 K192 Q212 | S191-T195 WeakPolarHBondContact O-CG2 3.43Å; S191-T195 PolarHBondContact O-N 3.43Å; K192-T195 PolarHBondContact O-N 3.31Å; K192-T195 PolarHBondContact O-OG1 3.4Å; T195-Q212 PolarHBondContact O-NE2 2.64Å |
| 196 | N | 60.4 | Low | 65.8 | Low | 133 Ų | 133 | 102.9 Ų | 102.9 | 71% | 0.711 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 3.4 | -169.1 | -64.2 | -53.3 | 0 | 0 | 0 | 114.9 | N194 P198 | N194-N196 PolarHBondContact O-N 3.12Å; N194-N196 VanDerWaalsContact O-N 3.15Å; N196-P198 WeakPolarHBondContact O-CD 3.43Å |
| 197 | K | 69.1 | Low | 65.7 | Low | 145 Ų | 145 | 107.6 Ų | 107.6 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | | | trans | -96.7 | 109 | 178.3 | -63.6 | -171.8 | -177.3 | -175.3 | 0 | 109.4 | | |
| 198 | P | 68.8 | Low | 66.1 | Low | 119 Ų | 119 | 101.8 Ų | 101.8 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | | | trans | -61.5 | 144 | 169.3 | 26.9 | -32.4 | 0 | 0 | 0 | 108.7 | N196 A200 | N196-P198 WeakPolarHBondContact O-CD 3.43Å; P198-A200 PolarHBondContact O-N 3.1Å |
| 199 | C | 73.7 | Confident | 66.2 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 47% | 0.466 | 60% | 0.604 | S | S | . | * | | | trans | -59.4 | 134.2 | 173.3 | 64 | 0 | 0 | 0 | 0 | 108.9 | C201 C206 C208 | C199-C201 VanDerWaalsContact C-SG 3.58Å; C199-C201 HydrophobicContact CB-CB 3.95Å; C199-C201 WeakPolarHBondContact CB-SG 3.47Å; C199-C201 PolarHBondContact O-N 2.97Å; C199-C201 PolarHBondContact O-SG 3.06Å; C199-C201 WeakPolarHBondContact SG-CB 3.38Å; C199-C201 CovalentContact SG-SG 2.06Å; C199-C201 PolarHBondContact SG-SG 3.45Å; C199-C206 PolarHBondContact SG-SG 3.4Å; C199-C208 HydrophobicContact CB-CB 4.14Å |
| 200 | A | 72.2 | Confident | 66.3 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 93% | 0.926 | 62% | 0.617 | S | S | * | * | | | trans | -74.1 | 26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P198 A202 | P198-A200 PolarHBondContact O-N 3.1Å; A200-A202 PolarHBondContact O-N 2.99Å |
| 201 | C | 77.7 | Confident | 66.3 | Low | 57 Ų | 57 | 116.1 Ų | 116.1 | 39% | 0.385 | 63% | 0.628 | S | S | . | * | | | trans | -83.2 | 108.2 | -171.1 | 54.1 | 0 | 0 | 0 | 0 | 109 | C199 D203 C206 | C199-C201 VanDerWaalsContact C-SG 3.58Å; C199-C201 HydrophobicContact CB-CB 3.95Å; C199-C201 WeakPolarHBondContact CB-SG 3.47Å; C199-C201 PolarHBondContact O-N 2.97Å; C199-C201 PolarHBondContact O-SG 3.06Å; C199-C201 WeakPolarHBondContact SG-CB 3.38Å; C199-C201 CovalentContact SG-SG 2.06Å; C199-C201 PolarHBondContact SG-SG 3.45Å; C201-D203 PolarHBondContact O-N 3.07Å; C201-C206 HydrophobicContact CB-CB 3.85Å; C201-C206 WeakPolarHBondContact CB-SG 3.42Å |
| 202 | A | 64.9 | Low | 66.2 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | | | trans | -82 | 114.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108 | A200 | A200-A202 PolarHBondContact O-N 2.99Š|
| 203 | D | 58.8 | Low | 66.1 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 86.7 | 128.3 | 164.4 | -59.5 | -48.7 | 0 | 0 | 0 | 120.7 | C201 A205 | C201-D203 PolarHBondContact O-N 3.07Å; D203-A205 PolarHBondContact O-N 2.99Å |
| 204 | K | 63.8 | Low | 66.3 | Low | 215 Ų | 215 | 117.6 Ų | 117.6 | 94% | 0.935 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 31.4 | -13.3 | 151.1 | -37.1 | -83.3 | -179.8 | 173.6 | 0 | 122.3 | | |
| 205 | A | 71.1 | Confident | 66.6 | Low | 90 Ų | 90 | 122.8 Ų | 122.8 | 74% | 0.744 | 65% | 0.653 | S | S | * | * | | | trans | -130.2 | 21 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D203 E207 | D203-A205 PolarHBondContact O-N 2.99Å; A205-E207 PolarHBondContact O-N 3.14Å |
| 206 | C | 72.9 | Confident | 67.3 | Low | 56 Ų | 56 | 124.7 Ų | 124.7 | 38% | 0.378 | 67% | 0.665 | S | S | . | * | | | trans | -74.5 | 112 | 172.4 | -140.5 | 0 | 0 | 0 | 0 | 109.3 | C199 C201 C208 | C199-C206 PolarHBondContact SG-SG 3.4Å; C201-C206 HydrophobicContact CB-CB 3.85Å; C201-C206 WeakPolarHBondContact CB-SG 3.42Å; C206-C208 HydrophobicContact CB-CB 3.94Å; C206-C208 WeakPolarHBondContact CB-SG 3.05Å; C206-C208 PolarHBondContact O-N 3.12Å; C206-C208 VanDerWaalsContact O-N 3.07Å; C206-C208 WeakPolarHBondContact SG-CB 3.29Å; C206-C208 CovalentContact SG-SG 2.04Å; C206-C208 PolarHBondContact SG-SG 3.43Å |
| 207 | E | 67.1 | Low | 67.6 | Low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | | | trans | -75.4 | 20.9 | 163.8 | -64.6 | -169.2 | 161 | 0 | 0 | 112.5 | A205 K209 | A205-E207 PolarHBondContact O-N 3.14Å; E207-K209 PolarHBondContact O-N 3.32Å |
| 208 | C | 73.1 | Confident | 67.7 | Low | 65 Ų | 65 | 129 Ų | 129 | 44% | 0.439 | 67% | 0.674 | S | S | . | * | | | trans | -72.3 | 78.8 | -179.7 | -48.7 | 0 | 0 | 0 | 0 | 107.6 | C199 C206 R210 | C199-C208 HydrophobicContact CB-CB 4.14Å; C206-C208 HydrophobicContact CB-CB 3.94Å; C206-C208 WeakPolarHBondContact CB-SG 3.05Å; C206-C208 PolarHBondContact O-N 3.12Å; C206-C208 VanDerWaalsContact O-N 3.07Å; C206-C208 WeakPolarHBondContact SG-CB 3.29Å; C206-C208 CovalentContact SG-SG 2.04Å; C206-C208 PolarHBondContact SG-SG 3.43Å; C208-R210 PolarHBondContact O-N 3.48Å |
| 209 | K | 65.9 | Low | 67.1 | Low | 182 Ų | 182 | 129.6 Ų | 129.6 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | | | trans | -52.6 | 118.1 | 172.3 | -66.1 | -166.2 | 177.9 | -174.6 | 0 | 106.4 | E207 W211 | E207-K209 PolarHBondContact O-N 3.32Å; K209-W211 VanDerWaalsContact O-CD1 3.28Å; K209-W211 PolarHBondContact O-N 3.45Å |
| 210 | R | 66.9 | Low | 66.6 | Low | 166 Ų | 166 | 131.9 Ų | 131.9 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | | | trans | -54.1 | 113.1 | 172.1 | -82.7 | 169.8 | 70.1 | -165.3 | -2.2 | 105.7 | C208 Q212 D213 | C208-R210 PolarHBondContact O-N 3.48Å; R210-Q212 HydrophobicContact CB-CB 4.47Å; R210-Q212 PolarHBondContact O-N 3.17Å; R210-D213 PolarHBondContact O-N 2.83Å |
| 211 | W | 60.5 | Low | 65.8 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -59.2 | -8.1 | 179.7 | -70.7 | 72.7 | 0 | 0 | 0 | 112.7 | K209 M214 | K209-W211 VanDerWaalsContact O-CD1 3.28Å; K209-W211 PolarHBondContact O-N 3.45Å; W211-M214 HydrophobicContact CE3-CE 3.55Å; W211-M214 HydrophobicContact CZ3-CE 3.54Å |
| 212 | Q | 59.5 | Low | 64.8 | Low | 92 Ų | 92 | 133.6 Ų | 133.6 | 43% | 0.43 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -69.1 | -28.8 | 174.9 | -64 | 141.1 | 21.7 | 0 | 0 | 112.8 | T195 R210 | T195-Q212 PolarHBondContact O-NE2 2.64Å; R210-Q212 HydrophobicContact CB-CB 4.47Å; R210-Q212 PolarHBondContact O-N 3.17Å |
| 213 | D | 60.5 | Low | 64.4 | Low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -97.1 | 4.4 | -179.2 | -57.4 | -33.7 | 0 | 0 | 0 | 112.7 | R210 E215 | R210-D213 PolarHBondContact O-N 2.83Å; D213-E215 PolarHBondContact O-N 2.94Å |
| 214 | M | 65.9 | Low | 64.1 | Low | 106 Ų | 106 | 139.1 Ų | 139.1 | 52% | 0.522 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -86.4 | 111.4 | 178.1 | -155.8 | 163.5 | 76.3 | 0 | 0 | 108.8 | W211 V216 | W211-M214 HydrophobicContact CE3-CE 3.55Å; W211-M214 HydrophobicContact CZ3-CE 3.54Å; M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.47Å |
| 215 | E | 65.9 | Low | 63.4 | Low | 195 Ų | 195 | 134.9 Ų | 134.9 | 91% | 0.911 | 69% | 0.688 | S | S | * | * | | | trans | -64.3 | 91.7 | 175 | -71.9 | -177.1 | 173.6 | 0 | 0 | 109.9 | D213 Y217 | D213-E215 PolarHBondContact O-N 2.94Å; E215-Y217 PolarHBondContact O-N 2.97Å |
| 216 | V | 75.1 | Confident | 62.4 | Low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | | | trans | -72.9 | 116.2 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | M214 K218 | M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.47Å; V216-K218 PolarHBondContact O-N 3.33Å |
| 217 | Y | 66.5 | Low | 61.2 | Low | 190 Ų | 190 | 141 Ų | 141 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | | | trans | -55.8 | 104.8 | 173.4 | 177.6 | -106.1 | 0 | 0 | 0 | 109.9 | E215 F219 | E215-Y217 PolarHBondContact O-N 2.97Å; Y217-F219 HydrophobicContact CE1-CB 4.18Å; Y217-F219 AromaticContact CE1-CD2 3.63Å; Y217-F219 HydrophobicContact CE1-CD2 3.63Å; Y217-F219 HydrophobicContact CE1-CG 4.39Å; Y217-F219 AromaticContact CZ-CD2 3.97Å; Y217-F219 PolarHBondContact O-N 3.18Å |
| 218 | K | 70.9 | Confident | 60.2 | Low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | | | trans | -83.9 | 100.1 | 178.3 | -71.1 | -178.8 | -177.2 | 175.7 | 0 | 109.2 | V216 S220 | V216-K218 PolarHBondContact O-N 3.33Å; K218-S220 VanDerWaalsContact C-N 3.31Å; K218-S220 PolarHBondContact O-N 2.86Å; K218-S220 PolarHBondContact O-OG 3.38Å |
| 219 | F | 55.6 | Low | 58.7 | Low | 130 Ų | 130 | 141.2 Ų | 141.2 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | | | trans | -74.8 | 84.6 | 171.2 | -160.4 | -102 | 0 | 0 | 0 | 110 | Y217 G221 L222 | Y217-F219 HydrophobicContact CE1-CB 4.18Å; Y217-F219 AromaticContact CE1-CD2 3.63Å; Y217-F219 HydrophobicContact CE1-CD2 3.63Å; Y217-F219 HydrophobicContact CE1-CG 4.39Å; Y217-F219 AromaticContact CZ-CD2 3.97Å; Y217-F219 PolarHBondContact O-N 3.18Å; F219-G221 PolarHBondContact O-N 2.95Å; F219-L222 HydrophobicContact CD1-CD1 4.34Å; F219-L222 HydrophobicContact CE1-CB 4.35Å; F219-L222 HydrophobicContact CE1-CD1 3.64Å; F219-L222 HydrophobicContact CE1-CG 3.79Å |
| 220 | S | 63.7 | Low | 57.9 | Low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -85.8 | 14.9 | 176.8 | 29.3 | 0 | 0 | 0 | 0 | 113 | K218 | K218-S220 VanDerWaalsContact C-N 3.31Å; K218-S220 PolarHBondContact O-N 2.86Å; K218-S220 PolarHBondContact O-OG 3.38Å |
| 221 | G | 55.7 | Low | 56.5 | Low | 60 Ų | 60 | 140 Ų | 140 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | | | trans | -97 | 8.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | F219 | F219-G221 PolarHBondContact O-N 2.95Š|
| 222 | L | 55.9 | Low | 55.5 | Low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -128.1 | 60.2 | -179.7 | -84.3 | 169.7 | 0 | 0 | 0 | 112.3 | F219 | F219-L222 HydrophobicContact CD1-CD1 4.34Å; F219-L222 HydrophobicContact CE1-CB 4.35Å; F219-L222 HydrophobicContact CE1-CD1 3.64Å; F219-L222 HydrophobicContact CE1-CG 3.79Å |
| 223 | Q | 57.6 | Low | 54.7 | Low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -118.4 | 84.7 | 153.3 | -71.7 | -152.8 | 42.9 | 0 | 0 | 108.7 | | |
| 224 | N | 50.9 | Low | 53.5 | Low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -141.4 | 68.2 | 152.9 | -78.8 | -37.5 | 0 | 0 | 0 | 106.1 | L226 | N224-L226 VanDerWaalsContact C-N 3.34Å; N224-L226 PolarHBondContact O-N 3.49Å |
| 225 | T | 49.9 | Very low | 52.5 | Low | 127 Ų | 127 | 151.4 Ų | 151.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -59.9 | 105.1 | 156 | 32.1 | 0 | 0 | 0 | 0 | 106.1 | P227 | T225-P227 WeakPolarHBondContact O-CD 3.13Å; T225-P227 VanDerWaalsContact O-N 3.14Å |
| 226 | L | 51.3 | Low | 51.1 | Low | 154 Ų | 154 | 146.8 Ų | 146.8 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -50.9 | 121.9 | 167.4 | -69.2 | 166.9 | 0 | 0 | 0 | 107 | N224 L228 | N224-L226 VanDerWaalsContact C-N 3.34Å; N224-L226 PolarHBondContact O-N 3.49Å; L226-L228 PolarHBondContact O-N 3.38Å |
| 227 | P | 47.3 | Very low | 49.6 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -58.1 | 118.4 | 171.4 | -19.7 | 31 | 0 | 0 | 0 | 107.4 | T225 A229 | T225-P227 WeakPolarHBondContact O-CD 3.13Å; T225-P227 VanDerWaalsContact O-N 3.14Å; P227-A229 VanDerWaalsContact C-N 3.33Å; P227-A229 PolarHBondContact O-N 2.89Å |
| 228 | L | 46.3 | Very low | 48 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -58.2 | 104.2 | 164.2 | -103.1 | 77.2 | 0 | 0 | 0 | 106.5 | L226 | L226-L228 PolarHBondContact O-N 3.38Š|
| 229 | A | 40.9 | Very low | 46.7 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | | | trans | -63.5 | 136.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | P227 E231 | P227-A229 VanDerWaalsContact C-N 3.33Å; P227-A229 PolarHBondContact O-N 2.89Å; A229-E231 PolarHBondContact O-N 3.43Å |
| 230 | P | 48.6 | Very low | 46 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | | | trans | -74.7 | 92.5 | 175.5 | 27.9 | -29 | 0 | 0 | 0 | 108.8 | | |
| 231 | E | 38.4 | Very low | 45.1 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 133.8 | 169.8 | -163.4 | 165.6 | -175.1 | 0 | 0 | 110.1 | A229 | A229-E231 PolarHBondContact O-N 3.43Š|
| 232 | R | 39.4 | Very low | 44.3 | Very low | 229 Ų | 229 | 151.4 Ų | 151.4 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.1 | -158.7 | -64.4 | 179.5 | 172.2 | 176.8 | -2.9 | 111.5 | T234 | R232-T234 PolarHBondContact O-N 3.4Š|
| 233 | R | 43.4 | Very low | 43.8 | Very low | 246 Ų | 246 | 151.2 Ų | 151.2 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118.4 | 156.2 | -69.8 | 175.3 | 174.4 | 149.8 | -1.8 | 109.4 | | |
| 234 | T | 35.1 | Very low | 43.5 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | | | trans | -144.3 | 120.3 | 141.6 | 33.3 | 0 | 0 | 0 | 0 | 108.5 | R232 | R232-T234 PolarHBondContact O-N 3.4Š|
| 235 | V | 43.5 | Very low | 42.9 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | trans | -59.7 | 131.9 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 236 | A | 37.2 | Very low | 43.3 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | | | trans | -158.6 | 100.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108 | D238 | A236-D238 PolarHBondContact O-N 3.05Š|
| 237 | E | 44.3 | Very low | 42.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | trans | -59.8 | 125.7 | 159.5 | -75.3 | 161.9 | 114.8 | 0 | 0 | 108.6 | | |
| 238 | D | 31.7 | Very low | 43.2 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | -145.8 | 127.6 | 138.1 | -151.8 | -2.9 | 0 | 0 | 0 | 110 | A236 S240 | A236-D238 PolarHBondContact O-N 3.05Å; D238-S240 PolarHBondContact O-N 2.99Å |
| 239 | C | 43 | Very low | 43.1 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 86% | 0.858 | 82% | 0.816 | S | S | * | * | | | trans | -84.7 | 110.1 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 240 | S | 41.6 | Very low | 43.9 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | | | trans | -146.5 | 135.6 | 164.7 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | D238 | D238-S240 PolarHBondContact O-N 2.99Š|
| 241 | Q | 44.6 | Very low | 44.5 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | trans | -53.7 | 154.5 | -165.9 | -56.5 | -155.1 | -42 | 0 | 0 | 116.9 | L243 | Q241-L243 PolarHBondContact O-N 2.8Š|
| 242 | P | 39.8 | Very low | 45.6 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -79.9 | 101 | 169.6 | 30.9 | -27.9 | 0 | 0 | 0 | 110.4 | | |
| 243 | L | 44.2 | Very low | 46.9 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -86.9 | 133.1 | 160.6 | -69.8 | 173.9 | 0 | 0 | 0 | 109.1 | Q241 S245 | Q241-L243 PolarHBondContact O-N 2.8Å; L243-S245 PolarHBondContact O-N 3.49Å |
| 244 | P | 51.3 | Low | 48.5 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -73 | 94.8 | 171.5 | 29.5 | -30.9 | 0 | 0 | 0 | 108.7 | R246 | P244-R246 VanDerWaalsContact C-N 3.34Å; P244-R246 PolarHBondContact O-N 2.89Å |
| 245 | S | 39.5 | Very low | 50.2 | Low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -73.4 | 90.2 | 172.9 | 16.4 | 0 | 0 | 0 | 0 | 108.9 | L243 T247 | L243-S245 PolarHBondContact O-N 3.49Å; S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.22Å; S245-T247 VanDerWaalsContact O-N 3.11Å |
| 246 | R | 58.3 | Low | 51.5 | Low | 246 Ų | 246 | 126.7 Ų | 126.7 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | | | trans | -76.9 | 84.4 | 165.1 | -168.5 | 178.9 | -175.4 | -131.4 | 3.3 | 108.4 | P244 | P244-R246 VanDerWaalsContact C-N 3.34Å; P244-R246 PolarHBondContact O-N 2.89Å |
| 247 | T | 43.3 | Very low | 53.2 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | trans | -120.8 | 122.6 | 165.9 | 32.4 | 0 | 0 | 0 | 0 | 109.6 | S245 S249 | S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.22Å; S245-T247 VanDerWaalsContact O-N 3.11Å; T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 3.46Å |
| 248 | P | 51.8 | Low | 54.6 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | | | trans | -78.3 | 83.7 | 172 | 32.3 | -30.3 | 0 | 0 | 0 | 108.3 | S250 | P248-S250 PolarHBondContact O-N 2.78Š|
| 249 | S | 44.9 | Very low | 56.3 | Low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | | | trans | -74.7 | 100.9 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | T247 S251 | T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 3.46Å; S249-S251 PolarHBondContact O-N 3.02Å |
| 250 | S | 57.8 | Low | 57.5 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 70% | 0.695 | S | S | * | * | | | trans | -70.7 | 76.4 | 178.2 | 57 | 0 | 0 | 0 | 0 | 110.7 | P248 | P248-S250 PolarHBondContact O-N 2.78Š|
| 251 | S | 60.5 | Low | 58.6 | Low | 87 Ų | 87 | 119.3 Ų | 119.3 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | | | trans | -113.9 | 128.4 | 150.9 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | S249 R253 | S249-S251 PolarHBondContact O-N 3.02Å; S251-R253 VanDerWaalsContact C-N 3.3Å; S251-R253 PolarHBondContact O-N 3.07Å |
| 252 | P | 61.6 | Low | 59.5 | Low | 121 Ų | 121 | 117.7 Ų | 117.7 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | | | trans | -67.4 | 95.5 | -178.8 | 27.8 | -31.2 | 0 | 0 | 0 | 107.8 | S254 | P252-S254 PolarHBondContact O-N 3.11Š|
| 253 | R | 67.4 | Low | 60.5 | Low | 142 Ų | 142 | 115.9 Ų | 115.9 | 54% | 0.536 | 66% | 0.657 | S | S | . | * | | | trans | -43.4 | 128.7 | 167.5 | -76.7 | -169.4 | 161.6 | 153 | 5.4 | 108 | S251 E257 Q258 | S251-R253 VanDerWaalsContact C-N 3.3Å; S251-R253 PolarHBondContact O-N 3.07Å; R253-E257 HydrophobicContact CB-CB 4.2Å; R253-E257 HydrophobicContact CB-CG 4.36Å; R253-E257 WeakPolarHBondContact CD-OE1 3.45Å; R253-E257 HydrophobicContact CG-CG 4.3Å; R253-E257 IonicContact CZ-OE1 3.86Å; R253-E257 IonicContact NE-OE1 2.95Å; R253-E257 PolarHBondContact NE-OE1 3.11Å; R253-Q258 HydrophobicContact CB-CG 3.92Å |
| 254 | S | 76.6 | Confident | 61.6 | Low | 67 Ų | 67 | 116 Ų | 116 | 47% | 0.469 | 66% | 0.659 | S | S | . | * | | | trans | -52.5 | 147.8 | 176 | 173.6 | 0 | 0 | 0 | 0 | 109.4 | P252 S256 E257 Q258 | P252-S254 PolarHBondContact O-N 3.11Å; S254-S256 PolarHBondContact O-N 3.46Å; S254-S256 PolarHBondContact OG-N 3.42Å; S254-S256 PolarHBondContact OG-OG 3.23Å; S254-E257 WeakPolarHBondContact O-CA 2.95Å; S254-E257 WeakPolarHBondContact O-CB 3.31Å; S254-E257 PolarHBondContact O-N 3.44Å; S254-Q258 PolarHBondContact O-N 3.19Å; S254-Q258 VanDerWaalsContact O-N 3.11Å |
| 255 | C | 71 | Confident | 62.7 | Low | 105 Ų | 105 | 115.2 Ų | 115.2 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -49.7 | -34.2 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | E257 A259 | C255-E257 PolarHBondContact O-N 3.15Å; C255-A259 WeakPolarHBondContact O-CB 3.49Å; C255-A259 PolarHBondContact O-N 3.28Å; C255-A259 VanDerWaalsContact O-N 3.07Å |
| 256 | S | 71.4 | Confident | 64.7 | Low | 74 Ų | 74 | 114.3 Ų | 114.3 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.1 | -28.8 | 175.1 | 59 | 0 | 0 | 0 | 0 | 114.7 | S254 R260 | S254-S256 PolarHBondContact O-N 3.46Å; S254-S256 PolarHBondContact OG-N 3.42Å; S254-S256 PolarHBondContact OG-OG 3.23Å; S256-R260 WeakPolarHBondContact O-CG 3.32Å |
| 257 | E | 72.1 | Confident | 66.1 | Low | 92 Ų | 92 | 105.9 Ų | 105.9 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -84.3 | -36.4 | 179.2 | -167.8 | -174.7 | 162.4 | 0 | 0 | 111 | R253 S254 C255 R260 A261 | R253-E257 HydrophobicContact CB-CB 4.2Å; R253-E257 HydrophobicContact CB-CG 4.36Å; R253-E257 WeakPolarHBondContact CD-OE1 3.45Å; R253-E257 HydrophobicContact CG-CG 4.3Å; R253-E257 IonicContact CZ-OE1 3.86Å; R253-E257 IonicContact NE-OE1 2.95Å; R253-E257 PolarHBondContact NE-OE1 3.11Å; S254-E257 WeakPolarHBondContact O-CA 2.95Å; S254-E257 WeakPolarHBondContact O-CB 3.31Å; S254-E257 PolarHBondContact O-N 3.44Å; C255-E257 PolarHBondContact O-N 3.15Å; E257-R260 PolarHBondContact O-N 2.67Å; E257-A261 PolarHBondContact O-N 3.47Å; E257-A261 VanDerWaalsContact O-N 3.15Å |
| 258 | Q | 74.5 | Confident | 68 | Low | 103 Ų | 103 | 107.7 Ų | 107.7 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.8 | -41.2 | 171.6 | -66.4 | 179.9 | -16.1 | 0 | 0 | 111.5 | R253 S254 R260 A261 F262 | R253-Q258 HydrophobicContact CB-CG 3.92Å; S254-Q258 PolarHBondContact O-N 3.19Å; S254-Q258 VanDerWaalsContact O-N 3.11Å; Q258-R260 PolarHBondContact O-N 3.16Å; Q258-A261 PolarHBondContact O-N 3.23Å; Q258-F262 WeakPolarHBondContact O-CD2 3.47Å; Q258-F262 PolarHBondContact O-N 3.06Å |
| 259 | A | 67.1 | Low | 69.8 | Low | 64 Ų | 64 | 108.6 Ų | 108.6 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.1 | -26.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | C255 V263 | C255-A259 WeakPolarHBondContact O-CB 3.49Å; C255-A259 PolarHBondContact O-N 3.28Å; C255-A259 VanDerWaalsContact O-N 3.07Å; A259-V263 WeakPolarHBondContact O-CG2 3.4Å |
| 260 | R | 68 | Low | 71.9 | Confident | 205 Ų | 205 | 107.2 Ų | 107.2 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -86.7 | -25 | 177.6 | -69.8 | 179.5 | -179.3 | -168 | -0.1 | 113.4 | S256 E257 Q258 F262 | S256-R260 WeakPolarHBondContact O-CG 3.32Å; E257-R260 PolarHBondContact O-N 2.67Å; Q258-R260 PolarHBondContact O-N 3.16Å; R260-F262 VanDerWaalsContact C-N 3.34Å |
| 261 | A | 65.9 | Low | 73.4 | Confident | 55 Ų | 55 | 105.8 Ų | 105.8 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.4 | -20.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E257 Q258 | E257-A261 PolarHBondContact O-N 3.47Å; E257-A261 VanDerWaalsContact O-N 3.15Å; Q258-A261 PolarHBondContact O-N 3.23Å |
| 262 | F | 61.9 | Low | 74.5 | Confident | 138 Ų | 138 | 104.1 Ų | 104.1 | 61% | 0.605 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 9.1 | -179.8 | -83.5 | -89.4 | 0 | 0 | 0 | 113.6 | Q258 R260 D264 D265 | Q258-F262 WeakPolarHBondContact O-CD2 3.47Å; Q258-F262 PolarHBondContact O-N 3.06Å; R260-F262 VanDerWaalsContact C-N 3.34Å; F262-D264 VanDerWaalsContact C-N 3.26Å; F262-D264 PolarHBondContact O-N 3.2Å; F262-D265 WeakPolarHBondContact CD1-OD2 3.45Å; F262-D265 WeakPolarHBondContact CE1-OD2 3.46Å; F262-D265 PolarHBondContact O-N 2.93Å |
| 263 | V | 61.3 | Low | 75.8 | Confident | 91 Ų | 91 | 100 Ų | 100 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -72.5 | -23.1 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | A259 | A259-V263 WeakPolarHBondContact O-CG2 3.4Š|
| 264 | D | 66.6 | Low | 76.6 | Confident | 145 Ų | 145 | 99.9 Ų | 99.9 | 78% | 0.775 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -87.1 | -6.5 | -179.9 | -62.6 | -30.3 | 0 | 0 | 0 | 113.6 | F262 V266 | F262-D264 VanDerWaalsContact C-N 3.26Å; F262-D264 PolarHBondContact O-N 3.2Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.09Å |
| 265 | D | 75.4 | Confident | 76.9 | Confident | 108 Ų | 108 | 101.2 Ų | 101.2 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -80.2 | -9.4 | 178.5 | -75.7 | -5.2 | 0 | 0 | 0 | 112.6 | F262 | F262-D265 WeakPolarHBondContact CD1-OD2 3.45Å; F262-D265 WeakPolarHBondContact CE1-OD2 3.46Å; F262-D265 PolarHBondContact O-N 2.93Å |
| 266 | V | 81.9 | Confident | 77.2 | Confident | 86 Ų | 86 | 104 Ų | 104 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -102.4 | 101.1 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | D264 D270 L271 | D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.09Å; V266-D270 HydrophobicContact CG1-CB 4.33Å; V266-L271 HydrophobicContact CG1-CB 4.39Å |
| 267 | T | 87.9 | Confident | 77.4 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | | | trans | -70.1 | 156.2 | 175.3 | 70.1 | 0 | 0 | 0 | 0 | 109.9 | E269 D270 L271 | T267-E269 PolarHBondContact O-N 3.38Å; T267-E269 VanDerWaalsContact O-N 3.16Å; T267-D270 WeakPolarHBondContact CB-OD2 3.18Å; T267-D270 PolarHBondContact N-OD2 3.05Å; T267-D270 VanDerWaalsContact N-OD2 3.15Å; T267-D270 PolarHBondContact O-N 3.15Å; T267-D270 PolarHBondContact OG1-N 2.98Å; T267-D270 PolarHBondContact OG1-OD2 3.44Å; T267-L271 PolarHBondContact O-N 2.79Å; T267-L271 VanDerWaalsContact O-N 3.11Å |
| 268 | I | 83.6 | Confident | 77.4 | Confident | 150 Ų | 150 | 112.9 Ų | 112.9 | 77% | 0.769 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.1 | -29.5 | 174 | -63.2 | 168.8 | 0 | 0 | 0 | 110.6 | S272 | I268-S272 WeakPolarHBondContact O-CB 3.38Å; I268-S272 PolarHBondContact O-N 3.05Å; I268-S272 PolarHBondContact O-OG 3.4Å |
| 269 | E | 88.4 | Confident | 77.4 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 69% | 0.687 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70 | -38.3 | 176.6 | -158.5 | 68.4 | -163.5 | 0 | 0 | 112.6 | T267 S272 G273 | T267-E269 PolarHBondContact O-N 3.38Å; T267-E269 VanDerWaalsContact O-N 3.16Å; E269-S272 WeakPolarHBondContact CA-OG 3.01Å; E269-S272 PolarHBondContact O-OG 2.96Å; E269-G273 PolarHBondContact O-N 2.79Å |
| 270 | D | 89.9 | Confident | 77.6 | Confident | 79 Ų | 79 | 119 Ų | 119 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.4 | -44.5 | 174.8 | -61.5 | -52.4 | 0 | 0 | 0 | 110.1 | V266 T267 G273 Y274 | V266-D270 HydrophobicContact CG1-CB 4.33Å; T267-D270 WeakPolarHBondContact CB-OD2 3.18Å; T267-D270 PolarHBondContact N-OD2 3.05Å; T267-D270 VanDerWaalsContact N-OD2 3.15Å; T267-D270 PolarHBondContact O-N 3.15Å; T267-D270 PolarHBondContact OG1-N 2.98Å; T267-D270 PolarHBondContact OG1-OD2 3.44Å; D270-G273 PolarHBondContact O-N 2.95Å; D270-Y274 WeakPolarHBondContact O-CD2 3.33Å; D270-Y274 PolarHBondContact O-N 3.15Å |
| 271 | L | 88.8 | Confident | 77.8 | Confident | 94 Ų | 94 | 115.4 Ų | 115.4 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.5 | -42.1 | 177.5 | -173.8 | 62.9 | 0 | 0 | 0 | 112 | V266 T267 Y274 M275 | V266-L271 HydrophobicContact CG1-CB 4.39Å; T267-L271 PolarHBondContact O-N 2.79Å; T267-L271 VanDerWaalsContact O-N 3.11Å; L271-Y274 PolarHBondContact O-N 3.06Å; L271-M275 HydrophobicContact CD1-CE 4.29Å; L271-M275 VanDerWaalsContact O-CG 3.31Å; L271-M275 WeakPolarHBondContact O-CG 3.32Å; L271-M275 PolarHBondContact O-N 3.23Å |
| 272 | S | 83.6 | Confident | 78.2 | Confident | 51 Ų | 51 | 117.2 Ų | 117.2 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.1 | -39.9 | 176.6 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | I268 E269 Y274 M275 E276 | I268-S272 WeakPolarHBondContact O-CB 3.38Å; I268-S272 PolarHBondContact O-N 3.05Å; I268-S272 PolarHBondContact O-OG 3.4Å; E269-S272 WeakPolarHBondContact CA-OG 3.01Å; E269-S272 PolarHBondContact O-OG 2.96Å; S272-Y274 PolarHBondContact O-N 3.42Å; S272-M275 CarbonylContact O-C 3.58Å; S272-M275 PolarHBondContact O-N 3.08Å; S272-M275 VanDerWaalsContact O-N 3.14Å; S272-E276 PolarHBondContact O-N 2.89Å |
| 273 | G | 89.3 | Confident | 79.1 | Confident | 35 Ų | 35 | 119.5 Ų | 119.5 | 36% | 0.361 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -38.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E269 D270 E276 Y277 | E269-G273 PolarHBondContact O-N 2.79Å; D270-G273 PolarHBondContact O-N 2.95Å; G273-E276 PolarHBondContact O-N 2.89Å; G273-Y277 PolarHBondContact O-N 3.17Å; G273-Y277 VanDerWaalsContact O-N 3.17Å |
| 274 | Y | 83.9 | Confident | 80.1 | Confident | 140 Ų | 140 | 124.1 Ų | 124.1 | 55% | 0.549 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.7 | -44.8 | 170.4 | -76.8 | -63.2 | 0 | 0 | 0 | 111.3 | D270 L271 S272 E276 Y277 Y278 | D270-Y274 WeakPolarHBondContact O-CD2 3.33Å; D270-Y274 PolarHBondContact O-N 3.15Å; L271-Y274 PolarHBondContact O-N 3.06Å; S272-Y274 PolarHBondContact O-N 3.42Å; Y274-E276 PolarHBondContact O-N 3.38Å; Y274-Y277 PolarHBondContact O-N 3.27Å; Y274-Y278 HydrophobicContact CD1-CE2 4.15Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.09Å; Y274-Y278 PolarHBondContact O-N 3.09Å; Y274-Y278 VanDerWaalsContact O-N 3.12Å |
| 275 | M | 82.7 | Confident | 80.8 | Confident | 95 Ų | 95 | 122 Ų | 122 | 47% | 0.468 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.8 | -38 | 178.6 | -67.3 | -63.4 | 124.5 | 0 | 0 | 112.4 | L271 S272 Y277 Y278 L279 | L271-M275 HydrophobicContact CD1-CE 4.29Å; L271-M275 VanDerWaalsContact O-CG 3.31Å; L271-M275 WeakPolarHBondContact O-CG 3.32Å; L271-M275 PolarHBondContact O-N 3.23Å; S272-M275 CarbonylContact O-C 3.58Å; S272-M275 PolarHBondContact O-N 3.08Å; S272-M275 VanDerWaalsContact O-N 3.14Å; M275-Y277 VanDerWaalsContact C-N 3.32Å; M275-Y277 PolarHBondContact O-N 2.98Å; M275-Y278 PolarHBondContact O-N 3.37Å; M275-L279 HydrophobicContact CB-CD1 4.27Å; M275-L279 WeakPolarHBondContact O-CA 3.43Å; M275-L279 WeakPolarHBondContact O-CB 3.36Å; M275-L279 VanDerWaalsContact O-CG 3.29Å; M275-L279 WeakPolarHBondContact O-CG 3.45Å; M275-L279 PolarHBondContact O-N 3.07Å |
| 276 | E | 77.9 | Confident | 81.5 | Confident | 162 Ų | 162 | 120.4 Ų | 120.4 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -33.7 | 176.8 | -172.3 | 173 | -160.8 | 0 | 0 | 112.4 | S272 G273 Y274 | S272-E276 PolarHBondContact O-N 2.89Å; G273-E276 PolarHBondContact O-N 2.89Å; Y274-E276 PolarHBondContact O-N 3.38Å |
| 277 | Y | 73.9 | Confident | 81.8 | Confident | 191 Ų | 191 | 123.1 Ų | 123.1 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.9 | -38.1 | 176.9 | -173.7 | -101 | 0 | 0 | 0 | 113.2 | G273 Y274 M275 | G273-Y277 PolarHBondContact O-N 3.17Å; G273-Y277 VanDerWaalsContact O-N 3.17Å; Y274-Y277 PolarHBondContact O-N 3.27Å; M275-Y277 VanDerWaalsContact C-N 3.32Å; M275-Y277 PolarHBondContact O-N 2.98Å |
| 278 | Y | 72.1 | Confident | 82 | Confident | 163 Ų | 163 | 127.2 Ų | 127.2 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -88.3 | -30.4 | -178 | -70 | -66.3 | 0 | 0 | 0 | 113.4 | Y274 M275 Y280 | Y274-Y278 HydrophobicContact CD1-CE2 4.15Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.09Å; Y274-Y278 PolarHBondContact O-N 3.09Å; Y274-Y278 VanDerWaalsContact O-N 3.12Å; M275-Y278 PolarHBondContact O-N 3.37Å; Y278-Y280 PolarHBondContact O-N 3.34Å |
| 279 | L | 75.7 | Confident | 82.1 | Confident | 100 Ų | 100 | 121 Ų | 121 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | | | trans | -89.9 | 80.4 | 171.5 | -56.1 | 174.5 | 0 | 0 | 0 | 107.6 | M275 I281 | M275-L279 HydrophobicContact CB-CD1 4.27Å; M275-L279 WeakPolarHBondContact O-CA 3.43Å; M275-L279 WeakPolarHBondContact O-CB 3.36Å; M275-L279 VanDerWaalsContact O-CG 3.29Å; M275-L279 WeakPolarHBondContact O-CG 3.45Å; M275-L279 PolarHBondContact O-N 3.07Å; L279-I281 HydrophobicContact CB-CD1 4.36Å; L279-I281 HydrophobicContact CB-CG1 4.08Å; L279-I281 PolarHBondContact O-N 2.97Å |
| 280 | Y | 71 | Confident | 82 | Confident | 194 Ų | 194 | 118.6 Ų | 118.6 | 76% | 0.761 | 57% | 0.573 | S | S | * | * | | | trans | -64 | 81.8 | 161 | -177.8 | -101.6 | 0 | 0 | 0 | 107.9 | Y278 P282 | Y278-Y280 PolarHBondContact O-N 3.34Å; Y280-P282 HydrophobicContact CD1-CG 4.16Å; Y280-P282 HydrophobicContact CE1-CB 4.23Å; Y280-P282 HydrophobicContact CE1-CG 3.94Å; Y280-P282 VanDerWaalsContact O-CD 3.24Å; Y280-P282 WeakPolarHBondContact O-CD 3.37Å |
| 281 | I | 73.1 | Confident | 82.1 | Confident | 130 Ų | 130 | 120 Ų | 120 | 67% | 0.667 | 58% | 0.578 | S | S | * | * | | | trans | -79.5 | 110 | 168.4 | -60.5 | 174.7 | 0 | 0 | 0 | 103.9 | L279 K283 | L279-I281 HydrophobicContact CB-CD1 4.36Å; L279-I281 HydrophobicContact CB-CG1 4.08Å; L279-I281 PolarHBondContact O-N 2.97Å; I281-K283 PolarHBondContact O-N 3.11Å |
| 282 | P | 72.8 | Confident | 82 | Confident | 93 Ų | 93 | 122.5 Ų | 122.5 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | | | trans | -60.5 | 104 | 179.4 | -17.8 | 31.1 | 0 | 0 | 0 | 107.7 | Y280 K284 | Y280-P282 HydrophobicContact CD1-CG 4.16Å; Y280-P282 HydrophobicContact CE1-CB 4.23Å; Y280-P282 HydrophobicContact CE1-CG 3.94Å; Y280-P282 VanDerWaalsContact O-CD 3.24Å; Y280-P282 WeakPolarHBondContact O-CD 3.37Å; P282-K284 PolarHBondContact O-N 3.05Å |
| 283 | K | 80.9 | Confident | 81.7 | Confident | 187 Ų | 187 | 129.2 Ų | 129.2 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | | | trans | -64.3 | 126.8 | 174.7 | -169.3 | 169.2 | -177 | 166.7 | 0 | 106.2 | I281 M285 | I281-K283 PolarHBondContact O-N 3.11Å; K283-M285 PolarHBondContact O-N 2.97Å |
| 284 | K | 82.5 | Confident | 80.7 | Confident | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | | | trans | -53.4 | 114.5 | 167.2 | -75.2 | -75.5 | -174.6 | 171 | 0 | 106.7 | P282 | P282-K284 PolarHBondContact O-N 3.05Š|
| 285 | M | 82.7 | Confident | 80.6 | Confident | 100 Ų | 100 | 135 Ų | 135 | 49% | 0.493 | 64% | 0.643 | S | S | . | * | | | trans | -61.2 | 146.1 | 177.1 | -74.3 | -76.7 | -85.5 | 0 | 0 | 107.4 | K283 A289 E290 Y293 | K283-M285 PolarHBondContact O-N 2.97Å; M285-A289 HydrophobicContact CB-CB 4.25Å; M285-A289 HydrophobicContact CE-CB 3.63Å; M285-A289 HydrophobicContact SD-CB 4.4Å; M285-E290 HydrophobicContact CB-CG 3.86Å; M285-Y293 HydrophobicContact CE-CD2 4.24Å; M285-Y293 HydrophobicContact CE-CE2 4.04Å |
| 286 | S | 88.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 137.1 Ų | 137.1 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | | | trans | -60.3 | 150.3 | 174.1 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | M288 A289 E290 | S286-M288 PolarHBondContact O-N 2.81Å; S286-M288 VanDerWaalsContact O-N 3.12Å; S286-A289 WeakPolarHBondContact O-CA 3.49Å; S286-A289 WeakPolarHBondContact O-CB 3.47Å; S286-A289 PolarHBondContact O-N 3.19Å; S286-A289 PolarHBondContact OG-N 3.17Å; S286-E290 PolarHBondContact O-N 2.94Å |
| 287 | H | 90 | Very high | 80.6 | Confident | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -51.7 | -37.9 | 176.4 | 179 | -77.9 | 0 | 0 | 0 | 112.3 | A289 E290 M291 | H287-A289 VanDerWaalsContact C-N 3.33Å; H287-A289 PolarHBondContact O-N 3.42Å; H287-E290 PolarHBondContact O-N 3.21Å; H287-M291 WeakPolarHBondContact O-CG 3.39Å; H287-M291 PolarHBondContact O-N 3.42Å |
| 288 | M | 91.2 | Very high | 81 | Confident | 155 Ų | 155 | 132.4 Ų | 132.4 | 76% | 0.764 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.7 | -40.3 | 173.6 | -82.4 | -172.7 | 71 | 0 | 0 | 112.8 | S286 M292 | S286-M288 PolarHBondContact O-N 2.81Å; S286-M288 VanDerWaalsContact O-N 3.12Å; M288-M292 WeakPolarHBondContact O-CG 3.39Å |
| 289 | A | 85.9 | Confident | 81.5 | Confident | 21 Ų | 21 | 130.5 Ų | 130.5 | 17% | 0.174 | 64% | 0.64 | C | S | . | * | H | α-helix | trans | -72.8 | -39 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M285 S286 H287 M291 M292 Y293 | M285-A289 HydrophobicContact CB-CB 4.25Å; M285-A289 HydrophobicContact CE-CB 3.63Å; M285-A289 HydrophobicContact SD-CB 4.4Å; S286-A289 WeakPolarHBondContact O-CA 3.49Å; S286-A289 WeakPolarHBondContact O-CB 3.47Å; S286-A289 PolarHBondContact O-N 3.19Å; S286-A289 PolarHBondContact OG-N 3.17Å; H287-A289 VanDerWaalsContact C-N 3.33Å; H287-A289 PolarHBondContact O-N 3.42Å; A289-M291 VanDerWaalsContact C-N 3.29Å; A289-M291 PolarHBondContact O-N 3.35Å; A289-M292 PolarHBondContact O-N 3.21Å; A289-M292 VanDerWaalsContact O-N 3.12Å; A289-Y293 WeakPolarHBondContact O-CD2 3.5Å |
| 290 | E | 85.5 | Confident | 81.9 | Confident | 95 Ų | 95 | 132.5 Ų | 132.5 | 44% | 0.444 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -56.4 | -44.9 | 174.8 | -66.7 | -179.2 | 169 | 0 | 0 | 111.3 | M285 S286 H287 M292 Y293 T294 | M285-E290 HydrophobicContact CB-CG 3.86Å; S286-E290 PolarHBondContact O-N 2.94Å; H287-E290 PolarHBondContact O-N 3.21Å; E290-M292 PolarHBondContact O-N 3.38Å; E290-Y293 PolarHBondContact O-N 3.48Å; E290-T294 WeakPolarHBondContact O-CG2 3.37Å; E290-T294 PolarHBondContact O-N 3.49Å |
| 291 | M | 91.4 | Very high | 82.7 | Confident | 108 Ų | 108 | 128.1 Ų | 128.1 | 53% | 0.532 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.5 | -13.4 | 178.5 | -70 | -64.9 | -54.6 | 0 | 0 | 115.5 | H287 A289 | H287-M291 WeakPolarHBondContact O-CG 3.39Å; H287-M291 PolarHBondContact O-N 3.42Å; A289-M291 VanDerWaalsContact C-N 3.29Å; A289-M291 PolarHBondContact O-N 3.35Å |
| 292 | M | 87.6 | Confident | 83.4 | Confident | 147 Ų | 147 | 128 Ų | 128 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90.9 | -17.1 | 177.1 | -67.1 | -71.8 | 88.8 | 0 | 0 | 113.1 | M288 A289 E290 | M288-M292 WeakPolarHBondContact O-CG 3.39Å; A289-M292 PolarHBondContact O-N 3.21Å; A289-M292 VanDerWaalsContact O-N 3.12Å; E290-M292 PolarHBondContact O-N 3.38Å |
| 293 | Y | 77.9 | Confident | 84.3 | Confident | 192 Ų | 192 | 130.9 Ų | 130.9 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -114 | 4.5 | -174.8 | -67.9 | -74.6 | 0 | 0 | 0 | 113.8 | M285 A289 E290 | M285-Y293 HydrophobicContact CE-CD2 4.24Å; M285-Y293 HydrophobicContact CE-CE2 4.04Å; A289-Y293 WeakPolarHBondContact O-CD2 3.5Å; E290-Y293 PolarHBondContact O-N 3.48Å |
| 294 | T | 68.1 | Low | 84.7 | Confident | 161 Ų | 161 | 125.8 Ų | 125.8 | 99% | 0.988 | 63% | 0.625 | S | S | * | * | | | trans | -92.9 | 0 | 168.8 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | E290 | E290-T294 WeakPolarHBondContact O-CG2 3.37Å; E290-T294 PolarHBondContact O-N 3.49Å |