| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.6 | Very low | 46.4 | Very low | 224 Ų | 224 | 153.1 Ų | 153.1 | 100% | 1.103 | 84% | 0.836 | S | S | * | * | 0 | 89 | 0 | -66.6 | -169.1 | -179.2 | 0 | 0 | 110.8 | |||||
| 2 | D | 44 | Very low | 45.7 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | cis | -170.8 | 148.4 | -35.5 | -84 | -35 | 0 | 0 | 0 | 106.8 | ||||
| 3 | S | 45.7 | Very low | 45.7 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 65.6 | 125.2 | 170.6 | -48.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 4 | E | 45.5 | Very low | 45.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | 54.2 | 130.4 | 68.4 | -61.4 | -165.1 | 144.1 | 0 | 0 | 112.3 | |||||
| 5 | V | 48 | Very low | 45.2 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -149.8 | 141.3 | 53 | 167.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 6 | I | 50.2 | Low | 45.4 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -10.2 | 150.3 | 156.5 | -65.2 | 172.1 | 0 | 0 | 0 | 120.8 | ||||
| 7 | P | 49.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | trans | -100.8 | -177.2 | -173.9 | 42.3 | -37.6 | 0 | 0 | 0 | 115.2 | ||||
| 8 | N | 48.6 | Very low | 45 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -146.4 | 130.8 | 160.5 | -81.2 | -50.1 | 0 | 0 | 0 | 111.1 | ||||
| 9 | D | 41.8 | Very low | 45.3 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -99.5 | 123.4 | 171.7 | -84.6 | -51.6 | 0 | 0 | 0 | 110.8 | ||||
| 10 | E | 44.4 | Very low | 44.9 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -151.9 | 113.3 | 162.9 | -111.6 | -166.7 | 157 | 0 | 0 | 110.2 | ||||
| 11 | C | 45.2 | Very low | 45.1 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -153.9 | 110.9 | 155.4 | 52 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 12 | N | 37.2 | Very low | 44.6 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -87.1 | 129.1 | 171.9 | 168.1 | 20.8 | 0 | 0 | 0 | 109.9 | ||||
| 13 | V | 46.7 | Very low | 44.8 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -139.2 | 88.7 | 173.5 | -165.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | N | 45.5 | Very low | 44.4 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 79% | 0.791 | S | S | * | * | 39.6 | 106.7 | 127.9 | -55.6 | -41 | 0 | 0 | 0 | 120.9 | |||||
| 15 | N | 37.9 | Very low | 44.1 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | 44.1 | 117 | 113.4 | -162.6 | 22.7 | 0 | 0 | 0 | 120.3 | |||||
| 16 | A | 48.3 | Very low | 43.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -144.1 | 147.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 17 | T | 44.5 | Very low | 43.4 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | trans | -130.6 | 123.7 | -151.6 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 18 | S | 39.2 | Very low | 42.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 61.9 | 174.8 | 150.9 | -61.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 19 | P | 51 | Low | 42.8 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | cis | -130.3 | 169.4 | 2.4 | 41.1 | -24.3 | 0 | 0 | 0 | 117.8 | ||||
| 20 | T | 37.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 149.3 | 171.8 | -41.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 21 | V | 49.2 | Very low | 43.1 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -145.4 | 123 | 156.5 | -109.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | D | 36.2 | Very low | 43.1 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 149 | 168.6 | -104.7 | -49.5 | 0 | 0 | 0 | 110.8 | ||||
| 23 | S | 49.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -160.6 | 100.6 | 159.5 | -78.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | N | 36.2 | Very low | 43.2 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 174.9 | 155.7 | -90.4 | -75.8 | 0 | 0 | 0 | 110.3 | ||||
| 25 | L | 40.4 | Very low | 43.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 100.9 | 97.4 | 155.8 | -133.6 | 66.9 | 0 | 0 | 0 | 118.4 | ||||
| 26 | V | 43 | Very low | 43.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | 88.4 | 132.7 | 117.4 | 162 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 27 | N | 38.6 | Very low | 43.8 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 71 | 139.2 | 158.1 | -67.2 | -11.4 | 0 | 0 | 0 | 121.2 | ||||
| 28 | G | 40.4 | Very low | 43.7 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 160.1 | 48.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 29 | E | 45.4 | Very low | 44.2 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | 20.4 | 129.1 | 149.6 | -58 | 176.9 | -179 | 0 | 0 | 121.6 | ||||
| 30 | G | 45.6 | Very low | 43.8 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -169.7 | 75.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 31 | M | 47.7 | Very low | 44.3 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -76.4 | 132.2 | 177.3 | -66.6 | -173.3 | 179 | 0 | 0 | 112.4 | ||||
| 32 | Q | 44.5 | Very low | 43.8 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 126.3 | 150.6 | -67.3 | -171.3 | 5.8 | 0 | 0 | 109.1 | ||||
| 33 | T | 42.1 | Very low | 44.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -126.9 | 111.8 | -173.9 | 51.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 34 | E | 45.5 | Very low | 44.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -134 | 115.1 | 175.4 | -67.5 | -165.6 | -172 | 0 | 0 | 113.4 | ||||
| 35 | S | 49.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 44.9 | 102.6 | 149.9 | 57 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 36 | V | 45.5 | Very low | 45.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -22.2 | 133.9 | 142.5 | -169 | 0 | 0 | 0 | 0 | 117.1 | A38 | V36-A38 HydrophobicContact CG1-CB 4.08Š| ||
| 37 | D | 47.8 | Very low | 45 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -132.1 | 129.4 | 138.5 | -179.1 | 11 | 0 | 0 | 0 | 108.6 | S39 | D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-OG 3.21Å | ||
| 38 | A | 43.9 | Very low | 45.5 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | -127.5 | 72.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V36 | V36-A38 HydrophobicContact CG1-CB 4.08Š| ||
| 39 | S | 48 | Very low | 46 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -137 | 48.1 | -166.2 | -58.8 | 0 | 0 | 0 | 0 | 115.5 | D37 | D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-OG 3.21Å | ||
| 40 | K | 43.6 | Very low | 46.6 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -152.6 | 77 | 159 | -153.1 | 138.4 | -163.7 | -67.2 | 0 | 115.1 | E43 | K40-E43 IonicContact NZ-OE2 2.94Å; K40-E43 PolarHBondContact NZ-OE2 3.09Å | ||
| 41 | V | 47.2 | Very low | 47.3 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -83.3 | 148.1 | 160.2 | -119.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 42 | H | 39.1 | Very low | 48 | Very low | 167 Ų | 167 | 138 Ų | 138 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 81.2 | 67.7 | 150.5 | -137.7 | 42 | 0 | 0 | 0 | 120.5 | ||||
| 43 | E | 47.6 | Very low | 49 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -146.6 | 79.7 | 153.8 | -71.5 | -174.5 | 129.7 | 0 | 0 | 110.6 | K40 | K40-E43 IonicContact NZ-OE2 2.94Å; K40-E43 PolarHBondContact NZ-OE2 3.09Å | ||
| 44 | N | 45.2 | Very low | 50.3 | Low | 163 Ų | 163 | 137.1 Ų | 137.1 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -161.3 | 45.2 | 177.2 | -96.7 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 45 | D | 49.1 | Very low | 51.4 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | -135.5 | 18.5 | -178.3 | -96.6 | -41 | 0 | 0 | 0 | 114.7 | ||||
| 46 | S | 47 | Very low | 52.4 | Low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | -116 | 12.9 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 47 | C | 41.3 | Very low | 53.6 | Low | 132 Ų | 132 | 128.5 Ų | 128.5 | 89% | 0.892 | 70% | 0.695 | S | S | * | * | trans | -117.6 | 62 | -177.1 | -146.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 48 | S | 49.9 | Very low | 54.4 | Low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -135.2 | -20.6 | 170.9 | 59.1 | 0 | 0 | 0 | 0 | 114 | ||
| 49 | F | 50.3 | Low | 55.5 | Low | 153 Ų | 153 | 125 Ų | 125 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.3 | -38.1 | -172.3 | -168.2 | -106.1 | 0 | 0 | 0 | 114.2 | E51 E52 | F49-E51 VanDerWaalsContact C-N 3.31Å; F49-E51 PolarHBondContact O-N 2.66Å; F49-E52 PolarHBondContact O-N 3.26Å |
| 50 | I | 58.6 | Low | 56.3 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.1 | -28.7 | -173.6 | -59.1 | 177.5 | 0 | 0 | 0 | 112.3 | R54 | I50-R54 PolarHBondContact O-N 3.42Å |
| 51 | E | 60.4 | Low | 57.2 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.8 | -23.7 | -175.1 | -149.9 | 167.8 | -141.8 | 0 | 0 | 112.8 | F49 N55 | F49-E51 VanDerWaalsContact C-N 3.31Å; F49-E51 PolarHBondContact O-N 2.66Å; E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.38Å |
| 52 | E | 63.1 | Low | 57.9 | Low | 147 Ų | 147 | 116.3 Ų | 116.3 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.1 | -41.2 | 173.5 | -166.6 | 166.4 | -170.5 | 0 | 0 | 111.3 | F49 N55 A56 | F49-E52 PolarHBondContact O-N 3.26Å; E52-N55 PolarHBondContact O-N 3.04Å; E52-A56 PolarHBondContact O-N 2.87Å |
| 53 | E | 65.5 | Low | 58.8 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.6 | -44.1 | 176.1 | -170.4 | 173.1 | -169 | 0 | 0 | 112 | N55 A56 V57 | E53-N55 VanDerWaalsContact C-N 3.32Å; E53-N55 PolarHBondContact O-N 3.4Å; E53-A56 PolarHBondContact O-N 3.37Å; E53-V57 WeakPolarHBondContact O-CG2 3.33Å; E53-V57 PolarHBondContact O-N 3.33Å |
| 54 | R | 68.5 | Low | 59.4 | Low | 177 Ų | 177 | 111.6 Ų | 111.6 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.5 | -42.2 | 175 | -177.9 | 179.9 | 174 | -173.9 | -1.3 | 112.4 | I50 V57 I58 | I50-R54 PolarHBondContact O-N 3.42Å; R54-V57 PolarHBondContact O-N 3.26Å; R54-I58 HydrophobicContact CG-CD1 4.2Å; R54-I58 WeakPolarHBondContact O-CG1 3.4Å; R54-I58 PolarHBondContact O-N 3.47Å |
| 55 | N | 69.2 | Low | 60 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 47% | 0.471 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.2 | -33.3 | 179.1 | -72.8 | -34.3 | 0 | 0 | 0 | 112.2 | E51 E52 E53 I58 A59 | E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.38Å; E52-N55 PolarHBondContact O-N 3.04Å; E53-N55 VanDerWaalsContact C-N 3.32Å; E53-N55 PolarHBondContact O-N 3.4Å; N55-I58 PolarHBondContact O-N 3.48Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.31Å |
| 56 | A | 70 | Confident | 60.6 | Low | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.8 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E52 E53 A59 A60 | E52-A56 PolarHBondContact O-N 2.87Å; E53-A56 PolarHBondContact O-N 3.37Å; A56-A59 PolarHBondContact O-N 2.9Å; A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.29Å |
| 57 | V | 69.6 | Low | 61.1 | Low | 95 Ų | 95 | 111.7 Ų | 111.7 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.2 | -42.5 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | E53 R54 A60 A61 | E53-V57 WeakPolarHBondContact O-CG2 3.33Å; E53-V57 PolarHBondContact O-N 3.33Å; R54-V57 PolarHBondContact O-N 3.26Å; V57-A60 PolarHBondContact O-N 3.38Å; V57-A61 PolarHBondContact O-N 3.25Å |
| 58 | I | 65.7 | Low | 62 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 45% | 0.451 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.4 | -42.7 | 175.7 | -65.2 | 165.3 | 0 | 0 | 0 | 110.8 | R54 N55 A60 A61 V62 | R54-I58 HydrophobicContact CG-CD1 4.2Å; R54-I58 WeakPolarHBondContact O-CG1 3.4Å; R54-I58 PolarHBondContact O-N 3.47Å; N55-I58 PolarHBondContact O-N 3.48Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.3Å; I58-A61 PolarHBondContact O-N 3.39Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.27Å |
| 59 | A | 66.6 | Low | 62.2 | Low | 64 Ų | 64 | 115.3 Ų | 115.3 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66 | -32.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N55 A56 A63 | N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.31Å; A56-A59 PolarHBondContact O-N 2.9Å; A59-A63 PolarHBondContact O-N 3.49Å |
| 60 | A | 65 | Low | 62.5 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 51% | 0.512 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.6 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A56 V57 I58 V62 A63 | A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.29Å; V57-A60 PolarHBondContact O-N 3.38Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.3Å; A60-V62 PolarHBondContact O-N 3.16Å; A60-A63 PolarHBondContact O-N 3.44Å; A60-A63 VanDerWaalsContact O-N 3.09Å |
| 61 | A | 62 | Low | 62.3 | Low | 57 Ų | 57 | 116.2 Ų | 116.2 | 47% | 0.471 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.5 | -27.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V57 I58 F65 | V57-A61 PolarHBondContact O-N 3.25Å; I58-A61 PolarHBondContact O-N 3.39Å; A61-F65 WeakPolarHBondContact O-CD2 3.41Å; A61-F65 VanDerWaalsContact O-CE2 3.28Å; A61-F65 WeakPolarHBondContact O-CE2 3.44Å |
| 62 | V | 61.8 | Low | 62.1 | Low | 110 Ų | 110 | 118.4 Ų | 118.4 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84.4 | -16.6 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | I58 A60 | I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.27Å; A60-V62 PolarHBondContact O-N 3.16Å |
| 63 | A | 59.3 | Low | 61.4 | Low | 74 Ų | 74 | 120.4 Ų | 120.4 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -90.4 | -10.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | A59 A60 | A59-A63 PolarHBondContact O-N 3.49Å; A60-A63 PolarHBondContact O-N 3.44Å; A60-A63 VanDerWaalsContact O-N 3.09Å |
| 64 | D | 60.1 | Low | 61 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 4.5 | -175.1 | -138.1 | 32.9 | 0 | 0 | 0 | 113.3 | ||
| 65 | F | 57.7 | Low | 60.3 | Low | 186 Ų | 186 | 120.3 Ų | 120.3 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11.1 | -177.1 | -75.6 | -77.4 | 0 | 0 | 0 | 114.4 | A61 | A61-F65 WeakPolarHBondContact O-CD2 3.41Å; A61-F65 VanDerWaalsContact O-CE2 3.28Å; A61-F65 WeakPolarHBondContact O-CE2 3.44Å |
| 66 | D | 60.9 | Low | 59.9 | Low | 157 Ų | 157 | 119.2 Ų | 119.2 | 84% | 0.84 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -124.6 | 31.8 | -169 | -151.8 | 22.1 | 0 | 0 | 0 | 112.4 | ||
| 67 | A | 58.5 | Low | 59.5 | Low | 81 Ų | 81 | 124.2 Ų | 124.2 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -150.5 | 139 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 68 | D | 60.2 | Low | 59.3 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | 58 | 113 | -176.2 | -57.8 | -28.3 | 0 | 0 | 0 | 113.8 | ||||
| 69 | D | 52.9 | Low | 59.5 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | -144.6 | 129 | 65.2 | -89.8 | -41.2 | 0 | 0 | 0 | 113.7 | |||||
| 70 | Q | 56.9 | Low | 59.6 | Low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -100.3 | 101.7 | 147.6 | -71.5 | -174.4 | 32.8 | 0 | 0 | 107.1 | ||||
| 71 | C | 54.1 | Low | 59.8 | Low | 106 Ų | 106 | 134.1 Ų | 134.1 | 72% | 0.716 | 75% | 0.754 | S | S | * | * | trans | -117.9 | 110 | 172.7 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 72 | E | 56.4 | Low | 59.9 | Low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -43.4 | 140.4 | 176.5 | -62.7 | -77.6 | 166.9 | 0 | 0 | 114.8 | N74 | E72-N74 PolarHBondContact O-N 3.45Š| ||
| 73 | E | 48.5 | Very low | 60.3 | Low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -41.8 | 119.3 | 157.4 | -178.7 | 174.3 | -126.3 | 0 | 0 | 113.1 | ||||
| 74 | N | 56.8 | Low | 60.7 | Low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -158.4 | 146 | 154.2 | -166.4 | 47.6 | 0 | 0 | 0 | 112.7 | E72 | E72-N74 PolarHBondContact O-N 3.45Š| ||
| 75 | D | 54.3 | Low | 61.1 | Low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -77.4 | 164.4 | -171.1 | -52.2 | -71.4 | 0 | 0 | 0 | 115.1 | ||||
| 76 | G | 60.2 | Low | 61.4 | Low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 154.5 | 108.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 77 | D | 62.8 | Low | 60.9 | Low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 93.9 | 148 | -52.4 | -23.6 | 0 | 0 | 0 | 120 | ||||
| 78 | D | 64.4 | Low | 60.4 | Low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -92.1 | 92.5 | 168.5 | -177.3 | -11.1 | 0 | 0 | 0 | 111 | T80 | D78-T80 PolarHBondContact O-N 3.5Å; D78-T80 PolarHBondContact OD1-N 3.28Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å | ||
| 79 | D | 70.1 | Confident | 59.9 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -74.9 | 68.9 | 173.8 | -90.8 | -30 | 0 | 0 | 0 | 111.9 | V81 | D79-V81 PolarHBondContact O-N 3.31Š| ||
| 80 | T | 68.9 | Low | 59.9 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 102.2 | 173.1 | -74.9 | 0 | 0 | 0 | 0 | 111.5 | D78 N82 | D78-T80 PolarHBondContact O-N 3.5Å; D78-T80 PolarHBondContact OD1-N 3.28Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å; T80-N82 PolarHBondContact O-N 3.3Å | ||
| 81 | V | 69.3 | Low | 59.4 | Low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -76.9 | 95.5 | 179.4 | -82.8 | 0 | 0 | 0 | 0 | 113.6 | D79 V83 | D79-V81 PolarHBondContact O-N 3.31Å; V81-V83 PolarHBondContact O-N 2.88Å | ||
| 82 | N | 64.3 | Low | 58.9 | Low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 100.9 | 170.9 | -80.3 | 6.9 | 0 | 0 | 0 | 112.5 | T80 I84 | T80-N82 PolarHBondContact O-N 3.3Å; N82-I84 HydrophobicContact CB-CG1 4.49Å; N82-I84 PolarHBondContact O-N 3.22Å; N82-I84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | V | 68.9 | Low | 58.1 | Low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -76.6 | 95.4 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | V81 I85 | V81-V83 PolarHBondContact O-N 2.88Å; V83-I85 HydrophobicContact CG1-CG1 4.13Å | ||
| 84 | I | 68.8 | Low | 57.9 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -97.8 | 98.3 | 176.4 | -55.4 | 175.6 | 0 | 0 | 0 | 110.3 | N82 K86 | N82-I84 HydrophobicContact CB-CG1 4.49Å; N82-I84 PolarHBondContact O-N 3.22Å; N82-I84 VanDerWaalsContact O-N 3.12Å; I84-K86 HydrophobicContact CG2-CG 4.17Å; I84-K86 PolarHBondContact O-N 3.29Å | ||
| 85 | I | 68.8 | Low | 57.4 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -80.7 | 98.4 | 173 | -54.5 | 178.7 | 0 | 0 | 0 | 109.3 | V83 | V83-I85 HydrophobicContact CG1-CG1 4.13Š| ||
| 86 | K | 62.2 | Low | 56.7 | Low | 174 Ų | 174 | 137.5 Ų | 137.5 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -80 | 124.4 | 169.6 | -68.2 | 179.4 | -179.3 | 172.7 | 0 | 109.9 | I84 S88 | I84-K86 HydrophobicContact CG2-CG 4.17Å; I84-K86 PolarHBondContact O-N 3.29Å; K86-S88 PolarHBondContact O-N 3.16Å | ||
| 87 | P | 51.5 | Low | 55.7 | Low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -74.3 | 99.4 | 173.1 | 29.6 | -32.2 | 0 | 0 | 0 | 109.9 | S89 | P87-S89 PolarHBondContact O-N 3.49Š| ||
| 88 | S | 47.6 | Very low | 54.6 | Low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 130.6 | 172 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | K86 | K86-S88 PolarHBondContact O-N 3.16Š| ||
| 89 | S | 50.6 | Low | 53.3 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -75.1 | 163.6 | -179.4 | 66.6 | 0 | 0 | 0 | 0 | 113 | P87 | P87-S89 PolarHBondContact O-N 3.49Š| ||
| 90 | K | 51.9 | Low | 52 | Low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 76.6 | 109.9 | 166.3 | -86.3 | 176.3 | 173.6 | 175.2 | 0 | 119.2 | ||
| 91 | T | 47.9 | Very low | 50.6 | Low | 145 Ų | 145 | 140.7 Ų | 140.7 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | 82.2 | 108.1 | 144.5 | -12.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 92 | G | 43.3 | Very low | 49.5 | Very low | 48 Ų | 48 | 138.9 Ų | 138.9 | 50% | 0.495 | 77% | 0.769 | S | S | . | * | trans | 158.1 | 71.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y94 | G92-Y94 PolarHBondContact O-N 2.88Š| ||
| 93 | I | 38 | Very low | 48.2 | Very low | 173 Ų | 173 | 144 Ų | 144 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -56 | 102.9 | -175.3 | -56.7 | 161.9 | 0 | 0 | 0 | 112.6 | ||||
| 94 | Y | 46.2 | Very low | 47.1 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -134.1 | 129.4 | 151.5 | -4.2 | -80.1 | 0 | 0 | 0 | 109.5 | G92 T96 | G92-Y94 PolarHBondContact O-N 2.88Å; Y94-T96 PolarHBondContact O-N 3.1Å; Y94-T96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | K | 44.9 | Very low | 46.2 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 104.6 | -177.1 | -78.6 | 178.7 | 169.7 | -178.6 | 0 | 111.7 | G97 | K95-G97 PolarHBondContact O-N 3.08Š| ||
| 96 | T | 40.6 | Very low | 44.6 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 92% | 0.92 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -74.1 | 104 | 152.6 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | Y94 | Y94-T96 PolarHBondContact O-N 3.1Å; Y94-T96 VanDerWaalsContact O-N 3.12Å |
| 97 | G | 37.9 | Very low | 43.7 | Very low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 119.7 | 72.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K95 | K95-G97 PolarHBondContact O-N 3.08Š|
| 98 | T | 40.4 | Very low | 42.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -175.3 | 129.2 | 140.3 | 12.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 99 | A | 36.5 | Very low | 42.8 | Very low | 81 Ų | 81 | 141 Ų | 141 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | 41.2 | 99.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120 | Q101 | A99-Q101 HydrophobicContact CB-CG 4.33Å; A99-Q101 PolarHBondContact O-N 3.3Å | ||
| 100 | Y | 43.8 | Very low | 42.2 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 95% | 0.945 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 99.4 | 144.4 | -75.5 | -77.8 | 0 | 0 | 0 | 108.8 | A102 | Y100-A102 VanDerWaalsContact C-N 3.33Å; Y100-A102 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact O-N 3.1Å | ||
| 101 | Q | 40.2 | Very low | 41.9 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 84.1 | 167 | -72.2 | -146.9 | 35.5 | 0 | 0 | 110.2 | A99 | A99-Q101 HydrophobicContact CB-CG 4.33Å; A99-Q101 PolarHBondContact O-N 3.3Å | ||
| 102 | A | 44.7 | Very low | 41.7 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -76.3 | 119.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y100 S104 | Y100-A102 VanDerWaalsContact C-N 3.33Å; Y100-A102 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact O-N 3.1Å; A102-S104 PolarHBondContact O-N 3.3Å | ||
| 103 | R | 37.3 | Very low | 41.3 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -76.9 | 78.2 | -170.3 | -167.8 | 179.2 | -169.1 | -139.8 | 3.3 | 112.2 | V105 | R103-V105 PolarHBondContact O-N 2.78Š| ||
| 104 | S | 45.8 | Very low | 41.6 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 108.4 | 167.6 | 55.7 | 0 | 0 | 0 | 0 | 110 | A102 | A102-S104 PolarHBondContact O-N 3.3Š| ||
| 105 | V | 50.6 | Low | 41.4 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | trans | -57.1 | 137.4 | 168.3 | -94.1 | 0 | 0 | 0 | 0 | 110.3 | R103 H107 | R103-V105 PolarHBondContact O-N 2.78Å; V105-H107 PolarHBondContact O-N 3.47Å | ||
| 106 | A | 34.2 | Very low | 41.4 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 116.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 107 | H | 44.5 | Very low | 41.8 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -119.4 | 126.2 | 156.4 | -67.4 | -62.6 | 0 | 0 | 0 | 108.8 | V105 | V105-H107 PolarHBondContact O-N 3.47Š| ||
| 108 | T | 34 | Very low | 42.3 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -101.9 | 108.2 | -167.3 | 147.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 109 | T | 45.6 | Very low | 43.3 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -143.6 | 143.6 | 156.5 | 36.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 110 | Q | 37.4 | Very low | 44.4 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 117.1 | -162 | -57.3 | 175 | 5.3 | 0 | 0 | 112.3 | ||||
| 111 | H | 47 | Very low | 45.4 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -136 | 134.7 | 163.7 | -71.6 | -73.7 | 0 | 0 | 0 | 111.6 | ||||
| 112 | Q | 43.5 | Very low | 46.7 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -74.5 | 136.2 | -173.3 | -66.2 | -178.2 | -7.3 | 0 | 0 | 111.7 | V114 | Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | K | 34.1 | Very low | 47.8 | Very low | 214 Ų | 214 | 145 Ų | 145 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -81 | 88.3 | -178.2 | -177 | -166 | 176 | -166.9 | 0 | 110.7 | ||||
| 114 | V | 43.6 | Very low | 49.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -73.2 | 140.6 | 165.5 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | Q112 | Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact O-N 3.13Å | ||
| 115 | A | 43.7 | Very low | 50.2 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | trans | -61.7 | 154.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q117 | A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.05Å | ||
| 116 | R | 43.2 | Very low | 51.5 | Low | 252 Ų | 252 | 132.8 Ų | 132.8 | 95% | 0.951 | 72% | 0.717 | S | S | * | * | trans | -71 | 87.1 | 175.6 | -66.3 | -173.9 | 179.6 | -169.4 | -1.3 | 109.6 | ||||
| 117 | Q | 48.8 | Very low | 53.2 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -52.6 | 144.8 | 157.4 | -118.7 | 92.4 | 2.7 | 0 | 0 | 108.2 | A115 | A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.05Å | ||
| 118 | G | 48.6 | Very low | 54.7 | Low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -58.5 | 146.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E120 | G118-E120 PolarHBondContact O-N 3.06Å; G118-E120 VanDerWaalsContact O-N 3.16Å | ||
| 119 | V | 61.4 | Low | 56.6 | Low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -71.4 | 109.5 | 166.9 | -177.6 | 0 | 0 | 0 | 0 | 106 | L121 | V119-L121 HydrophobicContact CB-CD1 4.22Å; V119-L121 HydrophobicContact CG1-CD1 4.1Å; V119-L121 WeakPolarHBondContact O-CD1 3.21Å; V119-L121 PolarHBondContact O-N 3.5Å | ||
| 120 | E | 60.1 | Low | 57.8 | Low | 132 Ų | 132 | 124.4 Ų | 124.4 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | trans | -64.3 | 109.4 | 162.4 | -75.4 | -69.8 | 169.1 | 0 | 0 | 106.8 | G118 D122 D123 | G118-E120 PolarHBondContact O-N 3.06Å; G118-E120 VanDerWaalsContact O-N 3.16Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; E120-D123 HydrophobicContact CB-CB 3.95Å | ||
| 121 | L | 64.5 | Low | 59.6 | Low | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -73 | -22.3 | -178.6 | -91.8 | 68.1 | 0 | 0 | 0 | 112.2 | V119 | V119-L121 HydrophobicContact CB-CD1 4.22Å; V119-L121 HydrophobicContact CG1-CD1 4.1Å; V119-L121 WeakPolarHBondContact O-CD1 3.21Å; V119-L121 PolarHBondContact O-N 3.5Å |
| 122 | D | 67.7 | Low | 60.8 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -87.4 | -30.8 | -174.5 | -63.1 | -51.7 | 0 | 0 | 0 | 112.6 | E120 R178 L267 | E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; D122-R178 PolarHBondContact O-NH1 3.26Å; D122-L267 WeakPolarHBondContact OD1-CD1 3.34Å |
| 123 | D | 67.2 | Low | 62.2 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -66.4 | 123.4 | 177.6 | -105.3 | -9.2 | 0 | 0 | 0 | 110.3 | E120 G125 | E120-D123 HydrophobicContact CB-CB 3.95Å; D123-G125 PolarHBondContact O-N 3.37Å |
| 124 | P | 64.8 | Low | 63.9 | Low | 48 Ų | 48 | 97.2 Ų | 97.2 | 31% | 0.312 | 55% | 0.553 | S | S | . | * | trans | -66.7 | 109.9 | 169.5 | 29.3 | -29.3 | 0 | 0 | 0 | 107.3 | P131 V133 | P124-P131 HydrophobicContact CB-CB 4.48Å; P124-V133 HydrophobicContact CB-CG2 4.45Å | ||
| 125 | G | 69.5 | Low | 65.1 | Low | 40 Ų | 40 | 93.7 Ų | 93.7 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | trans | -49.6 | 155.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D123 P131 T132 | D123-G125 PolarHBondContact O-N 3.37Å; G125-P131 CarbonylContact O-C 3.54Å; G125-P131 WeakPolarHBondContact O-CA 3.38Å; G125-T132 WeakPolarHBondContact O-CB 3.28Å; G125-T132 PolarHBondContact O-N 3.5Å; G125-T132 PolarHBondContact O-OG1 3.29Å | ||
| 126 | N | 77.3 | Confident | 66.2 | Low | 120 Ų | 120 | 93.9 Ų | 93.9 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.7 | -176.5 | 55.4 | 85.6 | 0 | 0 | 0 | 111.8 | I130 | N126-I130 CarbonylContact C-O 3.55Å; N126-I130 WeakPolarHBondContact CA-O 3.36Å |
| 127 | I | 70.4 | Confident | 67.3 | Low | 61 Ų | 61 | 82.9 Ų | 82.9 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 109.8 | 175 | -59.1 | 171.4 | 0 | 0 | 0 | 105.7 | G129 I130 T132 Y135 | I127-G129 PolarHBondContact O-N 3.49Å; I127-G129 VanDerWaalsContact O-N 3.16Å; I127-I130 PolarHBondContact N-O 2.94Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 PolarHBondContact O-N 2.97Å; I127-T132 HydrophobicContact CD1-CG2 4.16Å; I127-Y135 HydrophobicContact CB-CD2 3.91Å; I127-Y135 HydrophobicContact CB-CE2 4.39Å; I127-Y135 HydrophobicContact CB-CG 4.27Å; I127-Y135 HydrophobicContact CD1-CD1 4.16Å; I127-Y135 HydrophobicContact CD1-CD2 4.44Å; I127-Y135 HydrophobicContact CD1-CG 3.96Å; I127-Y135 HydrophobicContact CG2-CD2 3.77Å; I127-Y135 HydrophobicContact CG2-CE2 3.73Å; I127-Y135 HydrophobicContact CG2-CG 4.32Å |
| 128 | N | 76.2 | Confident | 68 | Low | 154 Ų | 154 | 79.3 Ų | 79.3 | 82% | 0.824 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.7 | -177.3 | -56.6 | -19.1 | 0 | 0 | 0 | 113.9 | I130 | N128-I130 VanDerWaalsContact C-N 3.32Š|
| 129 | G | 73.4 | Confident | 68.8 | Low | 64 Ų | 64 | 80.8 Ų | 80.8 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I127 | I127-G129 PolarHBondContact O-N 3.49Å; I127-G129 VanDerWaalsContact O-N 3.16Å |
| 130 | I | 71.1 | Confident | 69 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.5 | 172.9 | -53.1 | 175.7 | 0 | 0 | 0 | 108.2 | N126 I127 N128 T132 E134 Y135 | N126-I130 CarbonylContact C-O 3.55Å; N126-I130 WeakPolarHBondContact CA-O 3.36Å; I127-I130 PolarHBondContact N-O 2.94Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 PolarHBondContact O-N 2.97Å; N128-I130 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3.22Å; I130-E134 HydrophobicContact CG2-CB 3.97Å; I130-Y135 HydrophobicContact CB-CD2 4.4Å; I130-Y135 HydrophobicContact CD1-CD2 4.33Å |
| 131 | P | 75.1 | Confident | 69.2 | Low | 41 Ų | 41 | 71.4 Ų | 71.4 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 139.8 | 173 | -23.9 | 33.3 | 0 | 0 | 0 | 111.3 | P124 G125 V133 E134 Y135 | P124-P131 HydrophobicContact CB-CB 4.48Å; G125-P131 CarbonylContact O-C 3.54Å; G125-P131 WeakPolarHBondContact O-CA 3.38Å; P131-V133 HydrophobicContact CB-CG2 4.05Å; P131-V133 PolarHBondContact O-N 3.13Å; P131-E134 HydrophobicContact CB-CB 4.37Å; P131-E134 HydrophobicContact CB-CG 4.19Å; P131-E134 HydrophobicContact CG-CG 4.33Å; P131-E134 CarbonylContact O-C 3.51Å; P131-E134 WeakPolarHBondContact O-CA 3.37Å; P131-E134 PolarHBondContact O-N 3.24Å; P131-Y135 PolarHBondContact O-N 3.17Å |
| 132 | T | 72.7 | Confident | 69.4 | Low | 36 Ų | 36 | 70.4 Ų | 70.4 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29 | -178.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | G125 I127 I130 E134 W167 | G125-T132 WeakPolarHBondContact O-CB 3.28Å; G125-T132 PolarHBondContact O-N 3.5Å; G125-T132 PolarHBondContact O-OG1 3.29Å; I127-T132 HydrophobicContact CD1-CG2 4.16Å; I130-T132 PolarHBondContact O-N 3.22Å; T132-E134 VanDerWaalsContact C-N 3.33Å; T132-W167 HydrophobicContact CG2-CH2 3.78Å; T132-W167 HydrophobicContact CG2-CZ2 3.66Å |
| 133 | V | 73.2 | Confident | 69.1 | Low | 25 Ų | 25 | 74 Ų | 74 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -14.8 | 175.2 | -62.7 | 0 | 0 | 0 | 0 | 114.1 | P124 P131 Q174 | P124-V133 HydrophobicContact CB-CG2 4.45Å; P131-V133 HydrophobicContact CB-CG2 4.05Å; P131-V133 PolarHBondContact O-N 3.13Å; V133-Q174 HydrophobicContact CB-CB 4.2Å; V133-Q174 HydrophobicContact CG1-CB 3.69Å; V133-Q174 HydrophobicContact CG1-CG 4.19Å |
| 134 | E | 68.4 | Low | 69.2 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -11.5 | 175.2 | -58.4 | -163.2 | 144.3 | 0 | 0 | 112.9 | I130 P131 T132 N136 | I130-E134 HydrophobicContact CG2-CB 3.97Å; P131-E134 HydrophobicContact CB-CB 4.37Å; P131-E134 HydrophobicContact CB-CG 4.19Å; P131-E134 HydrophobicContact CG-CG 4.33Å; P131-E134 CarbonylContact O-C 3.51Å; P131-E134 WeakPolarHBondContact O-CA 3.37Å; P131-E134 PolarHBondContact O-N 3.24Å; T132-E134 VanDerWaalsContact C-N 3.33Å; E134-N136 PolarHBondContact O-N 3.17Å; E134-N136 VanDerWaalsContact O-N 3.16Å |
| 135 | Y | 69.1 | Low | 70 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | trans | -66.6 | 111.9 | 178.6 | -171.5 | -92.1 | 0 | 0 | 0 | 110.9 | I127 I130 P131 L137 L140 | I127-Y135 HydrophobicContact CB-CD2 3.91Å; I127-Y135 HydrophobicContact CB-CE2 4.39Å; I127-Y135 HydrophobicContact CB-CG 4.27Å; I127-Y135 HydrophobicContact CD1-CD1 4.16Å; I127-Y135 HydrophobicContact CD1-CD2 4.44Å; I127-Y135 HydrophobicContact CD1-CG 3.96Å; I127-Y135 HydrophobicContact CG2-CD2 3.77Å; I127-Y135 HydrophobicContact CG2-CE2 3.73Å; I127-Y135 HydrophobicContact CG2-CG 4.32Å; I130-Y135 HydrophobicContact CB-CD2 4.4Å; I130-Y135 HydrophobicContact CD1-CD2 4.33Å; P131-Y135 PolarHBondContact O-N 3.17Å; Y135-L137 HydrophobicContact CD1-CD2 4.16Å; Y135-L137 HydrophobicContact CE1-CD2 4.18Å; Y135-L137 PolarHBondContact O-N 3.41Å; Y135-L140 HydrophobicContact CE1-CD1 4.12Å; Y135-L140 HydrophobicContact CE1-CD2 4.36Å; Y135-L140 HydrophobicContact CE1-CG 4.11Å; Y135-L140 WeakPolarHBondContact OH-CD2 3.43Å | ||
| 136 | N | 67.9 | Low | 70.5 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | trans | -83 | 106 | -176.2 | -174.8 | 0.2 | 0 | 0 | 0 | 110.7 | E134 S138 T139 | E134-N136 PolarHBondContact O-N 3.17Å; E134-N136 VanDerWaalsContact O-N 3.16Å; N136-S138 PolarHBondContact O-N 3.01Å; N136-S138 WeakPolarHBondContact OD1-CB 3.4Å; N136-S138 PolarHBondContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-OG 3.02Å; N136-T139 HydrophobicContact CB-CG2 4.35Å; N136-T139 PolarHBondContact O-N 3.35Å; N136-T139 PolarHBondContact O-OG1 3.35Å | ||
| 137 | L | 66.3 | Low | 70.9 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -56.9 | -18.1 | 174.2 | -65.1 | -174.5 | 0 | 0 | 0 | 113.4 | Y135 T139 L140 K145 E164 W167 | Y135-L137 HydrophobicContact CD1-CD2 4.16Å; Y135-L137 HydrophobicContact CE1-CD2 4.18Å; Y135-L137 PolarHBondContact O-N 3.41Å; L137-T139 PolarHBondContact O-N 3.29Å; L137-L140 HydrophobicContact CD2-CD1 3.65Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.19Å; L137-K145 WeakPolarHBondContact O-CE 3.4Å; L137-K145 PolarHBondContact O-NZ 3.44Å; L137-E164 HydrophobicContact CD1-CG 3.88Å; L137-W167 HydrophobicContact CD1-CG 4.25Å |
| 138 | S | 64 | Low | 71.4 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -71.2 | -13.7 | 175.5 | -36.6 | 0 | 0 | 0 | 0 | 113.9 | N136 | N136-S138 PolarHBondContact O-N 3.01Å; N136-S138 WeakPolarHBondContact OD1-CB 3.4Å; N136-S138 PolarHBondContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-OG 3.02Å |
| 139 | T | 64.4 | Low | 71.7 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -86.7 | -15.7 | 173.5 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | N136 L137 | N136-T139 HydrophobicContact CB-CG2 4.35Å; N136-T139 PolarHBondContact O-N 3.35Å; N136-T139 PolarHBondContact O-OG1 3.35Å; L137-T139 PolarHBondContact O-N 3.29Å |
| 140 | L | 65 | Low | 72.1 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -71.3 | 124 | 165.2 | -60.4 | 166.8 | 0 | 0 | 0 | 107.6 | Y135 L137 E144 K145 | Y135-L140 HydrophobicContact CE1-CD1 4.12Å; Y135-L140 HydrophobicContact CE1-CD2 4.36Å; Y135-L140 HydrophobicContact CE1-CG 4.11Å; Y135-L140 WeakPolarHBondContact OH-CD2 3.43Å; L137-L140 HydrophobicContact CD2-CD1 3.65Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.19Å; L140-E144 HydrophobicContact CB-CB 4.43Å; L140-E144 HydrophobicContact CD2-CG 3.9Å; L140-E144 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.45Å; L140-K145 HydrophobicContact CB-CG 4.12Å; L140-K145 VanDerWaalsContact O-CE 3.3Å; L140-K145 WeakPolarHBondContact O-CE 3.26Å |
| 141 | G | 65.6 | Low | 72.6 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | trans | -66 | 156.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E143 E144 K145 | G141-E143 PolarHBondContact O-N 3.47Å; G141-E144 WeakPolarHBondContact O-CA 3.28Å; G141-E144 WeakPolarHBondContact O-CB 3.43Å; G141-E144 PolarHBondContact O-N 3.21Å; G141-K145 PolarHBondContact O-N 3.37Å | ||
| 142 | D | 67.2 | Low | 73 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.4 | 179.3 | -64.3 | -40.1 | 0 | 0 | 0 | 112.9 | E144 K145 | D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.97Å; D142-K145 PolarHBondContact O-N 2.93Å |
| 143 | E | 62.5 | Low | 73.6 | Confident | 170 Ų | 170 | 74.7 Ų | 74.7 | 79% | 0.794 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.4 | 172.6 | -60 | -166 | 169.1 | 0 | 0 | 113.4 | G141 R149 | G141-E143 PolarHBondContact O-N 3.47Å; E143-R149 PolarHBondContact O-NH2 3.35Å |
| 144 | E | 69.4 | Low | 74 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.1 | -179.4 | -163 | 174.8 | -171.5 | 0 | 0 | 112.4 | L140 G141 D142 P146 | L140-E144 HydrophobicContact CB-CB 4.43Å; L140-E144 HydrophobicContact CD2-CG 3.9Å; L140-E144 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.45Å; G141-E144 WeakPolarHBondContact O-CA 3.28Å; G141-E144 WeakPolarHBondContact O-CB 3.43Å; G141-E144 PolarHBondContact O-N 3.21Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.97Å; E144-P146 WeakPolarHBondContact O-CD 3.48Å |
| 145 | K | 80.8 | Confident | 74.8 | Confident | 12 Ų | 12 | 73.4 Ų | 73.4 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | trans | -96.2 | 86 | 172.6 | -62.1 | -178.2 | -172.5 | 178.3 | 0 | 110.1 | L137 L140 G141 D142 W147 K148 E164 | L137-K145 WeakPolarHBondContact O-CE 3.4Å; L137-K145 PolarHBondContact O-NZ 3.44Å; L140-K145 HydrophobicContact CB-CG 4.12Å; L140-K145 VanDerWaalsContact O-CE 3.3Å; L140-K145 WeakPolarHBondContact O-CE 3.26Å; G141-K145 PolarHBondContact O-N 3.37Å; D142-K145 PolarHBondContact O-N 2.93Å; K145-W147 HydrophobicContact CB-CD2 4.14Å; K145-W147 HydrophobicContact CB-CH2 4.34Å; K145-W147 HydrophobicContact CB-CZ2 3.86Å; K145-W147 HydrophobicContact CD-CZ2 4.01Å; K145-W147 HydrophobicContact CG-CH2 4.15Å; K145-W147 HydrophobicContact CG-CZ2 3.62Å; K145-W147 PolarHBondContact O-N 3.49Å; K145-K148 HydrophobicContact CB-CB 4.13Å; K145-K148 HydrophobicContact CB-CG 4Å; K145-K148 HydrophobicContact CD-CG 4.08Å; K145-K148 PolarHBondContact O-N 3.49Å; K145-E164 WeakPolarHBondContact CE-OE1 3.19Å; K145-E164 IonicContact NZ-OE1 2.72Å; K145-E164 PolarHBondContact NZ-OE1 3.18Å | ||
| 146 | P | 80.2 | Confident | 75.7 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -59.4 | -24.8 | -176.4 | 26.6 | -37.6 | 0 | 0 | 0 | 113.2 | E144 K148 R149 A152 Y157 | E144-P146 WeakPolarHBondContact O-CD 3.48Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.36Å; P146-R149 WeakPolarHBondContact O-CB 3.37Å; P146-R149 WeakPolarHBondContact O-CG 3.23Å; P146-R149 PolarHBondContact O-N 2.97Å; P146-A152 WeakPolarHBondContact O-CB 3.36Å; P146-Y157 HydrophobicContact CB-CE1 3.95Å; P146-Y157 HydrophobicContact CG-CD1 4.21Å; P146-Y157 HydrophobicContact CG-CE1 3.51Å |
| 147 | W | 85.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 17% | 0.174 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -72 | -13.4 | 173.6 | 61.7 | 88 | 0 | 0 | 0 | 115.7 | K145 I154 Y157 F158 E164 | K145-W147 HydrophobicContact CB-CD2 4.14Å; K145-W147 HydrophobicContact CB-CH2 4.34Å; K145-W147 HydrophobicContact CB-CZ2 3.86Å; K145-W147 HydrophobicContact CD-CZ2 4.01Å; K145-W147 HydrophobicContact CG-CH2 4.15Å; K145-W147 HydrophobicContact CG-CZ2 3.62Å; K145-W147 PolarHBondContact O-N 3.49Å; W147-I154 HydrophobicContact CB-CD1 4.17Å; W147-I154 HydrophobicContact CG-CD1 4.35Å; W147-Y157 HydrophobicContact CB-CD1 4.41Å; W147-Y157 HydrophobicContact CB-CD2 3.38Å; W147-Y157 HydrophobicContact CB-CE2 3.9Å; W147-Y157 HydrophobicContact CB-CG 3.67Å; W147-Y157 HydrophobicContact CE3-CD1 4.02Å; W147-Y157 HydrophobicContact CE3-CG 4.19Å; W147-F158 HydrophobicContact CB-CE2 4.39Å; W147-F158 AromaticContact CD1-CE2 3.87Å; W147-F158 AromaticContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CZ 4.47Å; W147-F158 AromaticContact CG-CE2 3.84Å; W147-F158 HydrophobicContact CG-CE2 3.84Å; W147-E164 PolarHBondContact NE1-OE2 3.02Å |
| 148 | K | 82.2 | Confident | 77.5 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -94.3 | -0.7 | 174.3 | -68.6 | -69.4 | 179.4 | 179.8 | 0 | 112.8 | K145 P146 E164 E165 | K145-K148 HydrophobicContact CB-CB 4.13Å; K145-K148 HydrophobicContact CB-CG 4Å; K145-K148 HydrophobicContact CD-CG 4.08Å; K145-K148 PolarHBondContact O-N 3.49Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.36Å; K148-E164 WeakPolarHBondContact CE-OE2 3.41Å; K148-E164 IonicContact NZ-OE2 3.67Å; K148-E165 IonicContact NZ-OE1 2.91Å; K148-E165 PolarHBondContact NZ-OE1 3.44Å |
| 149 | R | 82 | Confident | 78.3 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 53% | 0.532 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -70.1 | 144.4 | 178.5 | -65.7 | 179.1 | -179 | 172.7 | 2.1 | 111.1 | E143 P146 G151 A152 | E143-R149 PolarHBondContact O-NH2 3.35Å; P146-R149 WeakPolarHBondContact O-CB 3.37Å; P146-R149 WeakPolarHBondContact O-CG 3.23Å; P146-R149 PolarHBondContact O-N 2.97Å; R149-G151 PolarHBondContact O-N 3.01Å; R149-G151 VanDerWaalsContact O-N 3.16Å; R149-A152 HydrophobicContact CB-CB 4.32Å; R149-A152 WeakPolarHBondContact O-CB 3.41Å; R149-A152 PolarHBondContact O-N 2.96Å |
| 150 | P | 81.7 | Confident | 79.2 | Confident | 138 Ų | 138 | 79.7 Ų | 79.7 | 90% | 0.896 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 120.2 | 178.9 | 25.7 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 151 | G | 82.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 90% | 0.897 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 3.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R149 | R149-G151 PolarHBondContact O-N 3.01Å; R149-G151 VanDerWaalsContact O-N 3.16Å |
| 152 | A | 83.7 | Confident | 80.5 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | trans | -73 | 138 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | P146 R149 Y157 | P146-A152 WeakPolarHBondContact O-CB 3.36Å; R149-A152 HydrophobicContact CB-CB 4.32Å; R149-A152 WeakPolarHBondContact O-CB 3.41Å; R149-A152 PolarHBondContact O-N 2.96Å; A152-Y157 HydrophobicContact CB-CE2 4.49Å | ||
| 153 | D | 84.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | trans | -83.4 | 130.6 | 169.3 | -165.6 | -32.4 | 0 | 0 | 0 | 108.7 | T155 D156 Y157 | D153-T155 PolarHBondContact O-N 2.96Å; D153-T155 WeakPolarHBondContact OD1-CB 3.41Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.27Å; D153-T155 PolarHBondContact OD1-N 3.36Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å; D153-D156 PolarHBondContact O-N 3.46Å; D153-Y157 WeakPolarHBondContact O-CD2 3.46Å | ||
| 154 | I | 81.7 | Confident | 82.5 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.2 | 175 | -168.1 | 64.5 | 0 | 0 | 0 | 111.1 | W147 D156 Y157 F158 T163 | W147-I154 HydrophobicContact CB-CD1 4.17Å; W147-I154 HydrophobicContact CG-CD1 4.35Å; I154-D156 VanDerWaalsContact C-N 3.32Å; I154-D156 PolarHBondContact O-N 3.11Å; I154-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 VanDerWaalsContact O-N 3.17Å; I154-F158 HydrophobicContact CD1-CD2 3.42Å; I154-F158 VanDerWaalsContact CD1-CD2 3.42Å; I154-F158 HydrophobicContact CD1-CE2 3.65Å; I154-F158 HydrophobicContact CD1-CG 4.34Å; I154-F158 HydrophobicContact CG1-CD2 3.9Å; I154-F158 HydrophobicContact CG1-CG 4.45Å; I154-F158 PolarHBondContact O-N 3.35Å; I154-T163 HydrophobicContact CG1-CG2 4.5Å |
| 155 | T | 85.3 | Confident | 83.2 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -75.2 | -17.2 | -176.4 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | D153 Y157 F158 F294 | D153-T155 PolarHBondContact O-N 2.96Å; D153-T155 WeakPolarHBondContact OD1-CB 3.41Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.27Å; D153-T155 PolarHBondContact OD1-N 3.36Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å; T155-Y157 PolarHBondContact O-N 3.23Å; T155-F158 WeakPolarHBondContact CA-O 3.43Å; T155-F294 VanDerWaalsContact CB-CZ 3.47Å; T155-F294 HydrophobicContact CG2-CE1 3.74Å; T155-F294 HydrophobicContact CG2-CE2 4.28Å; T155-F294 HydrophobicContact CG2-CZ 3.59Å |
| 156 | D | 87.4 | Confident | 83.3 | Confident | 123 Ų | 123 | 70.3 Ų | 70.3 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -66.5 | -19 | 169.2 | -73.7 | -30.3 | 0 | 0 | 0 | 112.2 | D153 I154 | D153-D156 PolarHBondContact O-N 3.46Å; I154-D156 VanDerWaalsContact C-N 3.32Å; I154-D156 PolarHBondContact O-N 3.11Å |
| 157 | Y | 86.6 | Confident | 83.5 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -31.1 | -173.9 | -56.5 | -85.7 | 0 | 0 | 0 | 113.1 | P146 W147 A152 D153 I154 T155 | P146-Y157 HydrophobicContact CB-CE1 3.95Å; P146-Y157 HydrophobicContact CG-CD1 4.21Å; P146-Y157 HydrophobicContact CG-CE1 3.51Å; W147-Y157 HydrophobicContact CB-CD1 4.41Å; W147-Y157 HydrophobicContact CB-CD2 3.38Å; W147-Y157 HydrophobicContact CB-CE2 3.9Å; W147-Y157 HydrophobicContact CB-CG 3.67Å; W147-Y157 HydrophobicContact CE3-CD1 4.02Å; W147-Y157 HydrophobicContact CE3-CG 4.19Å; A152-Y157 HydrophobicContact CB-CE2 4.49Å; D153-Y157 WeakPolarHBondContact O-CD2 3.46Å; I154-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 VanDerWaalsContact O-N 3.17Å; T155-Y157 PolarHBondContact O-N 3.23Å |
| 158 | F | 84.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | trans | -124.1 | 124.8 | -177.9 | -61.7 | -103.3 | 0 | 0 | 0 | 111.5 | W147 I154 T155 F162 E164 | W147-F158 HydrophobicContact CB-CE2 4.39Å; W147-F158 AromaticContact CD1-CE2 3.87Å; W147-F158 AromaticContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CZ 4.47Å; W147-F158 AromaticContact CG-CE2 3.84Å; W147-F158 HydrophobicContact CG-CE2 3.84Å; I154-F158 HydrophobicContact CD1-CD2 3.42Å; I154-F158 VanDerWaalsContact CD1-CD2 3.42Å; I154-F158 HydrophobicContact CD1-CE2 3.65Å; I154-F158 HydrophobicContact CD1-CG 4.34Å; I154-F158 HydrophobicContact CG1-CD2 3.9Å; I154-F158 HydrophobicContact CG1-CG 4.45Å; I154-F158 PolarHBondContact O-N 3.35Å; T155-F158 WeakPolarHBondContact CA-O 3.43Å; F158-F162 HydrophobicContact CB-CB 4.33Å; F158-F162 WeakPolarHBondContact CB-O 3.49Å; F158-F162 AromaticContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CE1 4.34Å; F158-F162 HydrophobicContact CD1-CG 4.4Å; F158-F162 HydrophobicContact CE1-CD1 4.38Å; F158-E164 HydrophobicContact CE1-CB 4.45Å; F158-E164 VanDerWaalsContact CE1-N 3.31Å; F158-E164 HydrophobicContact CZ-CB 3.96Å | ||
| 159 | N | 82 | Confident | 83.5 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | trans | -91.3 | 163.6 | -179.4 | -70.9 | -77.7 | 0 | 0 | 0 | 112.1 | G161 F162 | N159-G161 VanDerWaalsContact C-N 3.29Å; N159-G161 PolarHBondContact O-N 3.28Å; N159-F162 WeakPolarHBondContact O-CB 3.35Å; N159-F162 PolarHBondContact O-N 3.29Å | ||
| 160 | Y | 83.4 | Confident | 83.5 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.7 | 169.2 | -49.3 | -73.2 | 0 | 0 | 0 | 115 | F162 Y277 I296 | Y160-F162 PolarHBondContact O-N 3.41Å; Y160-F162 VanDerWaalsContact O-N 3.16Å; Y160-Y277 WeakPolarHBondContact CB-OH 3.43Å; Y160-Y277 WeakPolarHBondContact O-CE2 3.42Å; Y160-Y277 PolarHBondContact O-OH 3.29Å; Y160-I296 WeakPolarHBondContact CE1-O 3.35Å |
| 161 | G | 77.3 | Confident | 83.5 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 10.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N159 | N159-G161 VanDerWaalsContact C-N 3.29Å; N159-G161 PolarHBondContact O-N 3.28Å |
| 162 | F | 80.4 | Confident | 83.6 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 25% | 0.254 | 33% | 0.331 | S | S | . | . | trans | -66.2 | 152 | 169.6 | -158.4 | -126.1 | 0 | 0 | 0 | 109.7 | F158 N159 Y160 T166 W167 P274 | F158-F162 HydrophobicContact CB-CB 4.33Å; F158-F162 WeakPolarHBondContact CB-O 3.49Å; F158-F162 AromaticContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CE1 4.34Å; F158-F162 HydrophobicContact CD1-CG 4.4Å; F158-F162 HydrophobicContact CE1-CD1 4.38Å; N159-F162 WeakPolarHBondContact O-CB 3.35Å; N159-F162 PolarHBondContact O-N 3.29Å; Y160-F162 PolarHBondContact O-N 3.41Å; Y160-F162 VanDerWaalsContact O-N 3.16Å; F162-T166 WeakPolarHBondContact CD2-OG1 3.44Å; F162-T166 VanDerWaalsContact CE2-OG1 3.3Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.41Å; F162-W167 HydrophobicContact CE1-CB 3.78Å; F162-W167 HydrophobicContact CE1-CD2 4.36Å; F162-W167 AromaticContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CG 4.45Å; F162-W167 HydrophobicContact CZ-CB 3.72Å; F162-W167 HydrophobicContact CZ-CD2 4.43Å; F162-W167 AromaticContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CG 4.47Å; F162-P274 HydrophobicContact CE2-CG 3.84Å | ||
| 163 | T | 86.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | trans | -146.2 | 168.8 | 177 | 77.3 | 0 | 0 | 0 | 0 | 110.9 | I154 E165 T166 W167 | I154-T163 HydrophobicContact CG1-CG2 4.5Å; T163-E165 WeakPolarHBondContact CB-OE2 3.42Å; T163-E165 PolarHBondContact O-N 3.32Å; T163-E165 PolarHBondContact OG1-N 3.18Å; T163-E165 PolarHBondContact OG1-OE2 3.05Å; T163-T166 PolarHBondContact N-OG1 3.18Å; T163-T166 PolarHBondContact O-N 2.88Å; T163-T166 VanDerWaalsContact O-N 3.12Å; T163-T166 PolarHBondContact O-OG1 2.71Å; T163-T166 PolarHBondContact OG1-N 3.46Å; T163-W167 PolarHBondContact O-N 2.94Å | ||
| 164 | E | 85.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.7 | -40.9 | 173.7 | 178.1 | 169.9 | 178 | 0 | 0 | 112.1 | L137 K145 W147 K148 F158 T166 W167 I168 | L137-E164 HydrophobicContact CD1-CG 3.88Å; K145-E164 WeakPolarHBondContact CE-OE1 3.19Å; K145-E164 IonicContact NZ-OE1 2.72Å; K145-E164 PolarHBondContact NZ-OE1 3.18Å; W147-E164 PolarHBondContact NE1-OE2 3.02Å; K148-E164 WeakPolarHBondContact CE-OE2 3.41Å; K148-E164 IonicContact NZ-OE2 3.67Å; F158-E164 HydrophobicContact CE1-CB 4.45Å; F158-E164 VanDerWaalsContact CE1-N 3.31Å; F158-E164 HydrophobicContact CZ-CB 3.96Å; E164-T166 PolarHBondContact O-N 3.21Å; E164-W167 PolarHBondContact O-N 2.78Å; E164-I168 HydrophobicContact CG-CD1 3.97Å; E164-I168 VanDerWaalsContact O-CG1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 3.22Å |
| 165 | E | 83.4 | Confident | 83.2 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 179.8 | -57.7 | 72.9 | -155.8 | 0 | 0 | 111.4 | K148 T163 Q169 | K148-E165 IonicContact NZ-OE1 2.91Å; K148-E165 PolarHBondContact NZ-OE1 3.44Å; T163-E165 WeakPolarHBondContact CB-OE2 3.42Å; T163-E165 PolarHBondContact O-N 3.32Å; T163-E165 PolarHBondContact OG1-N 3.18Å; T163-E165 PolarHBondContact OG1-OE2 3.05Å; E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.21Å |
| 166 | T | 83.2 | Confident | 83 | Confident | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72 | -30.2 | 175.2 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | F162 T163 E164 Y170 | F162-T166 WeakPolarHBondContact CD2-OG1 3.44Å; F162-T166 VanDerWaalsContact CE2-OG1 3.3Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.41Å; T163-T166 PolarHBondContact N-OG1 3.18Å; T163-T166 PolarHBondContact O-N 2.88Å; T163-T166 VanDerWaalsContact O-N 3.12Å; T163-T166 PolarHBondContact O-OG1 2.71Å; T163-T166 PolarHBondContact OG1-N 3.46Å; E164-T166 PolarHBondContact O-N 3.21Å; T166-Y170 WeakPolarHBondContact O-CB 3.31Å; T166-Y170 PolarHBondContact O-N 3.46Å |
| 167 | W | 83.4 | Confident | 82.6 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 173.7 | 171.6 | -91.8 | 0 | 0 | 0 | 111.7 | T132 L137 F162 T163 E164 Q169 Y170 C171 | T132-W167 HydrophobicContact CG2-CH2 3.78Å; T132-W167 HydrophobicContact CG2-CZ2 3.66Å; L137-W167 HydrophobicContact CD1-CG 4.25Å; F162-W167 HydrophobicContact CE1-CB 3.78Å; F162-W167 HydrophobicContact CE1-CD2 4.36Å; F162-W167 AromaticContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CG 4.45Å; F162-W167 HydrophobicContact CZ-CB 3.72Å; F162-W167 HydrophobicContact CZ-CD2 4.43Å; F162-W167 AromaticContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CG 4.47Å; T163-W167 PolarHBondContact O-N 2.94Å; E164-W167 PolarHBondContact O-N 2.78Å; W167-Q169 VanDerWaalsContact C-N 3.33Å; W167-Q169 PolarHBondContact O-N 2.86Å; W167-Y170 HydrophobicContact CE3-CD1 4.33Å; W167-Y170 HydrophobicContact CZ3-CD1 4.32Å; W167-Y170 WeakPolarHBondContact O-CB 3.39Å; W167-Y170 PolarHBondContact O-N 2.95Å; W167-Y170 VanDerWaalsContact O-N 3.13Å; W167-C171 PolarHBondContact O-N 3.17Å |
| 168 | I | 84.7 | Confident | 82.1 | Confident | 72 Ų | 72 | 59 Ų | 59 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.3 | -68 | 162.8 | 0 | 0 | 0 | 110.4 | E164 Y170 C171 E172 | E164-I168 HydrophobicContact CG-CD1 3.97Å; E164-I168 VanDerWaalsContact O-CG1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 3.22Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.87Å; I168-C171 PolarHBondContact O-N 3.37Å; I168-E172 PolarHBondContact O-N 3.49Å |
| 169 | Q | 83.3 | Confident | 81.7 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 174.6 | -69.3 | 173.9 | 4.2 | 0 | 0 | 112.7 | E165 W167 K173 | E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.21Å; W167-Q169 VanDerWaalsContact C-N 3.33Å; W167-Q169 PolarHBondContact O-N 2.86Å; Q169-K173 WeakPolarHBondContact O-CB 3.5Å; Q169-K173 PolarHBondContact O-N 3.48Å |
| 170 | Y | 81.1 | Confident | 81.4 | Confident | 47 Ų | 47 | 63 Ų | 63 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 174.8 | 177.9 | -103.1 | 0 | 0 | 0 | 111.6 | T166 W167 I168 E172 K173 Q174 F270 Q272 | T166-Y170 WeakPolarHBondContact O-CB 3.31Å; T166-Y170 PolarHBondContact O-N 3.46Å; W167-Y170 HydrophobicContact CE3-CD1 4.33Å; W167-Y170 HydrophobicContact CZ3-CD1 4.32Å; W167-Y170 WeakPolarHBondContact O-CB 3.39Å; W167-Y170 PolarHBondContact O-N 2.95Å; W167-Y170 VanDerWaalsContact O-N 3.13Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.2Å; Y170-K173 PolarHBondContact O-N 3.05Å; Y170-Q174 HydrophobicContact CD1-CG 4.04Å; Y170-Q174 HydrophobicContact CD2-CG 4.34Å; Y170-Q174 HydrophobicContact CE1-CG 3.63Å; Y170-Q174 HydrophobicContact CE2-CG 3.95Å; Y170-Q174 VanDerWaalsContact CE2-NE2 3.27Å; Y170-Q174 HydrophobicContact CG-CG 4.39Å; Y170-Q174 WeakPolarHBondContact O-CB 3.42Å; Y170-Q174 VanDerWaalsContact O-CG 3.3Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.74Å; Y170-Q174 PolarHBondContact OH-NE2 3.13Å; Y170-F270 PolarHBondContact OH-O 3.33Å; Y170-Q272 WeakPolarHBondContact CE2-O 3.4Å |
| 171 | C | 83.7 | Confident | 80.7 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.3 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | W167 I168 Q174 K175 | W167-C171 PolarHBondContact O-N 3.17Å; I168-C171 PolarHBondContact O-N 3.37Å; C171-Q174 PolarHBondContact O-N 2.79Å; C171-K175 VanDerWaalsContact O-CB 3.32Å; C171-K175 WeakPolarHBondContact O-CB 3.32Å; C171-K175 PolarHBondContact O-N 2.98Å |
| 172 | E | 83.1 | Confident | 80.3 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.8 | -48.7 | 173.5 | -174.5 | 175 | -159.3 | 0 | 0 | 111.8 | I168 Y170 Q174 K175 I176 | I168-E172 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.2Å; E172-Q174 PolarHBondContact O-N 3.35Å; E172-K175 PolarHBondContact O-N 3.05Å; E172-I176 HydrophobicContact CG-CD1 4.22Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 2.94Å |
| 173 | K | 80.7 | Confident | 79.5 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 174.5 | -176 | -169.2 | 176.5 | -163.7 | 0 | 111.5 | Q169 Y170 I176 L177 | Q169-K173 WeakPolarHBondContact O-CB 3.5Å; Q169-K173 PolarHBondContact O-N 3.48Å; Y170-K173 PolarHBondContact O-N 3.05Å; K173-I176 PolarHBondContact O-N 3.1Å; K173-L177 HydrophobicContact CG-CD1 4.03Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.02Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.02Å; K173-L177 PolarHBondContact O-N 3.4Å |
| 174 | Q | 80.4 | Confident | 78.3 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.9 | -73 | -58.2 | -45.8 | 0 | 0 | 112.2 | V133 Y170 C171 E172 L177 R178 F270 | V133-Q174 HydrophobicContact CB-CB 4.2Å; V133-Q174 HydrophobicContact CG1-CB 3.69Å; V133-Q174 HydrophobicContact CG1-CG 4.19Å; Y170-Q174 HydrophobicContact CD1-CG 4.04Å; Y170-Q174 HydrophobicContact CD2-CG 4.34Å; Y170-Q174 HydrophobicContact CE1-CG 3.63Å; Y170-Q174 HydrophobicContact CE2-CG 3.95Å; Y170-Q174 VanDerWaalsContact CE2-NE2 3.27Å; Y170-Q174 HydrophobicContact CG-CG 4.39Å; Y170-Q174 WeakPolarHBondContact O-CB 3.42Å; Y170-Q174 VanDerWaalsContact O-CG 3.3Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.74Å; Y170-Q174 PolarHBondContact OH-NE2 3.13Å; C171-Q174 PolarHBondContact O-N 2.79Å; E172-Q174 PolarHBondContact O-N 3.35Å; Q174-L177 PolarHBondContact O-N 2.82Å; Q174-R178 WeakPolarHBondContact O-CB 3.43Å; Q174-R178 WeakPolarHBondContact O-CG 3.14Å; Q174-R178 PolarHBondContact O-N 2.94Å; Q174-F270 PolarHBondContact NE2-O 2.94Å |
| 175 | K | 81.7 | Confident | 76.9 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.5 | -172.1 | 172.8 | -170.5 | 172.1 | 0 | 111.1 | C171 E172 Q179 | C171-K175 VanDerWaalsContact O-CB 3.32Å; C171-K175 WeakPolarHBondContact O-CB 3.32Å; C171-K175 PolarHBondContact O-N 2.98Å; E172-K175 PolarHBondContact O-N 3.05Å; K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 VanDerWaalsContact O-CG 3.22Å; K175-Q179 WeakPolarHBondContact O-CG 3.34Å; K175-Q179 PolarHBondContact O-N 3.13Å |
| 176 | I | 79.9 | Confident | 75.3 | Confident | 79 Ų | 79 | 74 Ų | 74 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -53.9 | 174.9 | -65.5 | 164.9 | 0 | 0 | 0 | 110.5 | E172 K173 R178 Q179 E180 | E172-I176 HydrophobicContact CG-CD1 4.22Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 2.94Å; K173-I176 PolarHBondContact O-N 3.1Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 2.62Å; I176-Q179 PolarHBondContact O-N 3.47Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.05Å; I176-E180 PolarHBondContact O-N 2.97Å |
| 177 | L | 79.5 | Confident | 73.4 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | -178.4 | -70.6 | 172 | 0 | 0 | 0 | 112.8 | K173 Q174 Y181 Q269 F270 | K173-L177 HydrophobicContact CG-CD1 4.03Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.02Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.02Å; K173-L177 PolarHBondContact O-N 3.4Å; Q174-L177 PolarHBondContact O-N 2.82Å; L177-Y181 WeakPolarHBondContact O-CB 3.3Å; L177-Y181 PolarHBondContact O-N 3.13Å; L177-Q269 HydrophobicContact CD1-CG 3.92Å; L177-Q269 HydrophobicContact CD2-CG 3.77Å; L177-F270 HydrophobicContact CB-CD1 3.95Å; L177-F270 HydrophobicContact CB-CE1 3.51Å; L177-F270 HydrophobicContact CB-CZ 4.39Å; L177-F270 HydrophobicContact CD1-CD1 4.36Å |
| 178 | R | 76.7 | Confident | 71.6 | Confident | 79 Ų | 79 | 81.9 Ų | 81.9 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.4 | -34.8 | 178.4 | -71.2 | -177.3 | -179.9 | -107 | 2.7 | 111.8 | D122 Q174 I176 A182 F270 | D122-R178 PolarHBondContact O-NH1 3.26Å; Q174-R178 WeakPolarHBondContact O-CB 3.43Å; Q174-R178 WeakPolarHBondContact O-CG 3.14Å; Q174-R178 PolarHBondContact O-N 2.94Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 2.62Å; R178-A182 WeakPolarHBondContact O-CB 3.16Å; R178-A182 PolarHBondContact O-N 3.35Å; R178-F270 HydrophobicContact CB-CE1 4.47Å; R178-F270 HydrophobicContact CG-CD1 4.16Å; R178-F270 HydrophobicContact CG-CE1 3.59Å; R178-F270 HydrophobicContact CG-CZ 4.4Å |
| 179 | Q | 75.6 | Confident | 69.7 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 171.2 | -73.6 | 175.6 | 8 | 0 | 0 | 111.9 | K175 I176 Y181 A182 N183 | K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 VanDerWaalsContact O-CG 3.22Å; K175-Q179 WeakPolarHBondContact O-CG 3.34Å; K175-Q179 PolarHBondContact O-N 3.13Å; I176-Q179 PolarHBondContact O-N 3.47Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 3.02Å; Q179-A182 PolarHBondContact O-N 3.07Å; Q179-N183 VanDerWaalsContact O-CB 3.32Å; Q179-N183 WeakPolarHBondContact O-CB 3.31Å; Q179-N183 PolarHBondContact O-N 3.44Å; Q179-N183 PolarHBondContact O-ND2 3.48Å |
| 180 | E | 75.2 | Confident | 67.9 | Low | 109 Ų | 109 | 88.8 Ų | 88.8 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.1 | -72.8 | 179.1 | 167.5 | 0 | 0 | 111.4 | I176 N183 T184 | I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.05Å; I176-E180 PolarHBondContact O-N 2.97Å; E180-N183 PolarHBondContact O-N 2.84Å; E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 2.84Å |
| 181 | Y | 69.4 | Low | 66 | Low | 117 Ų | 117 | 92.3 Ų | 92.3 | 46% | 0.459 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 177.4 | -173 | -101.8 | 0 | 0 | 0 | 112.7 | L177 Q179 N183 T184 T185 L266 F270 | L177-Y181 WeakPolarHBondContact O-CB 3.3Å; L177-Y181 PolarHBondContact O-N 3.13Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 3.02Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 3.14Å; Y181-T184 PolarHBondContact O-N 3.25Å; Y181-T184 VanDerWaalsContact O-N 3.1Å; Y181-T185 HydrophobicContact CD1-CG2 4.3Å; Y181-T185 HydrophobicContact CE1-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 4.18Å; Y181-T185 PolarHBondContact O-N 2.81Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; Y181-T185 VanDerWaalsContact O-OG1 3.06Å; Y181-L266 HydrophobicContact CD2-CD1 4.36Å; Y181-L266 HydrophobicContact CE2-CD1 4.28Å; Y181-F270 HydrophobicContact CG-CZ 4.22Å |
| 182 | A | 69.8 | Low | 63.9 | Low | 44 Ų | 44 | 97.6 Ų | 97.6 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R178 Q179 T184 T185 L186 | R178-A182 WeakPolarHBondContact O-CB 3.16Å; R178-A182 PolarHBondContact O-N 3.35Å; Q179-A182 PolarHBondContact O-N 3.07Å; A182-T184 PolarHBondContact O-N 2.94Å; A182-T185 PolarHBondContact O-OG1 3.46Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.02Å |
| 183 | N | 63.3 | Low | 61.5 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -18.4 | 176.5 | -70.3 | -30.6 | 0 | 0 | 0 | 113.5 | Q179 E180 Y181 | Q179-N183 VanDerWaalsContact O-CB 3.32Å; Q179-N183 WeakPolarHBondContact O-CB 3.31Å; Q179-N183 PolarHBondContact O-N 3.44Å; Q179-N183 PolarHBondContact O-ND2 3.48Å; E180-N183 PolarHBondContact O-N 2.84Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 3.14Å |
| 184 | T | 60.5 | Low | 59.4 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -91.9 | -37.2 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | E180 Y181 A182 | E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 2.84Å; Y181-T184 PolarHBondContact O-N 3.25Å; Y181-T184 VanDerWaalsContact O-N 3.1Å; A182-T184 PolarHBondContact O-N 2.94Å |
| 185 | T | 56.9 | Low | 57.3 | Low | 83 Ų | 83 | 101.4 Ų | 101.4 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.6 | -20.2 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | Y181 A182 | Y181-T185 HydrophobicContact CD1-CG2 4.3Å; Y181-T185 HydrophobicContact CE1-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 4.18Å; Y181-T185 PolarHBondContact O-N 2.81Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; Y181-T185 VanDerWaalsContact O-OG1 3.06Å; A182-T185 PolarHBondContact O-OG1 3.46Å |
| 186 | L | 50 | Low | 55.2 | Low | 139 Ų | 139 | 105 Ų | 105 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 14.9 | 176 | -62.2 | -177.2 | 0 | 0 | 0 | 114.8 | A182 P188 | A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.02Å; L186-P188 WeakPolarHBondContact O-CD 3.3Å |
| 187 | K | 43.8 | Very low | 53.4 | Low | 169 Ų | 169 | 108.9 Ų | 108.9 | 74% | 0.735 | 64% | 0.643 | S | S | * | * | trans | -98.9 | 92.5 | 166.3 | -74.7 | -179.1 | -177.5 | 173.7 | 0 | 110.2 | ||||
| 188 | P | 43.8 | Very low | 51.6 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | trans | -58.9 | 151.3 | 168.4 | 27 | -34.5 | 0 | 0 | 0 | 110.1 | L186 L190 | L186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 HydrophobicContact CG-CD1 4.47Å; P188-L190 PolarHBondContact O-N 2.87Å | ||
| 189 | V | 45.5 | Very low | 49.9 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -57.6 | 88.4 | -177.2 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 190 | L | 44.7 | Very low | 48 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -136.1 | 47.2 | 176.4 | -87.5 | 156.6 | 0 | 0 | 0 | 109.5 | P188 | P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 HydrophobicContact CG-CD1 4.47Å; P188-L190 PolarHBondContact O-N 2.87Å | ||
| 191 | S | 42.9 | Very low | 46.5 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -130.7 | 74.3 | 170.8 | -165.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 192 | S | 39.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -175.9 | 134.6 | 152.9 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 193 | G | 33 | Very low | 43.7 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -73 | 135.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 194 | G | 35.8 | Very low | 42.5 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -179.3 | 118 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | A | 37 | Very low | 41.4 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 139.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L197 | A195-L197 PolarHBondContact O-N 3.43Š| ||
| 196 | N | 36.1 | Very low | 40.3 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 47.7 | 67.1 | 138.9 | -57.6 | -22.9 | 0 | 0 | 0 | 118.1 | ||||
| 197 | L | 43.3 | Very low | 39.7 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -133.1 | 83.4 | 168.1 | -73.5 | 172 | 0 | 0 | 0 | 111.6 | A195 | A195-L197 PolarHBondContact O-N 3.43Š| ||
| 198 | L | 41 | Very low | 39.6 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 164.5 | 49.8 | 144.1 | -87.9 | 166.2 | 0 | 0 | 0 | 113.2 | ||
| 199 | Q | 40.5 | Very low | 39.2 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -139.5 | 83.9 | 156.4 | -165.7 | 164.4 | -1.8 | 0 | 0 | 111.1 | ||||
| 200 | R | 37.3 | Very low | 39.1 | Very low | 230 Ų | 230 | 140.1 Ų | 140.1 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -149.4 | 147.6 | 163.3 | -164 | 176.1 | -68.7 | -167.9 | 1.1 | 109.4 | ||||
| 201 | I | 42.6 | Very low | 38.5 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 77% | 0.774 | 83% | 0.832 | S | S | * | * | trans | 100.3 | 129.8 | 177 | -49.6 | 153.8 | 0 | 0 | 0 | 112.6 | ||||
| 202 | R | 42.3 | Very low | 38.3 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | 80.8 | 83.2 | -172.4 | -50.3 | 177.1 | -164.5 | -103.7 | -0.9 | 112.5 | ||||
| 203 | S | 38.7 | Very low | 38 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | 85.5 | 108.8 | 48.2 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 204 | G | 37.9 | Very low | 38.1 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | 73.3 | 154.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 205 | T | 36.3 | Very low | 38 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | cis | -162.4 | 155 | -6.4 | 2.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 206 | V | 34.8 | Very low | 38.3 | Very low | 131 Ų | 131 | 150 Ų | 150 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -18.3 | 129.3 | 167.9 | -76.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 207 | S | 38.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | 172.3 | 140.6 | 110 | -75.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 208 | S | 41.6 | Very low | 38.2 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | 37.5 | 120.4 | 148.1 | 62.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 209 | N | 34.7 | Very low | 38.2 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -16.7 | 124.7 | 146.2 | -76.5 | -21.7 | 0 | 0 | 0 | 117.2 | ||||
| 210 | T | 42.7 | Very low | 38.1 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -139.8 | 143.7 | 130.2 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 211 | R | 33.3 | Very low | 38.3 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 137 | 175.5 | -64.4 | 175.8 | 176.6 | -170.8 | -2.8 | 108.9 | ||||
| 212 | S | 37.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 122.5 | 164.9 | -67.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 213 | F | 33.6 | Very low | 38.3 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -72.8 | 133.6 | 172 | -80.5 | -116.2 | 0 | 0 | 0 | 109.2 | ||||
| 214 | D | 34.6 | Very low | 38.6 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -135 | 124.1 | 142.8 | -171.9 | 9.4 | 0 | 0 | 0 | 108.8 | ||||
| 215 | G | 33.8 | Very low | 38.6 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -106.2 | 48.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K217 | G215-K217 PolarHBondContact O-N 2.78Š| ||
| 216 | S | 43.1 | Very low | 38.8 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 106 | 172.3 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | Q218 | S216-Q218 PolarHBondContact O-N 3.38Š| ||
| 217 | K | 40.3 | Very low | 38.7 | Very low | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -69 | 89 | -179.9 | -64.3 | 176.9 | -178.3 | 177.1 | 0 | 110.6 | G215 A219 | G215-K217 PolarHBondContact O-N 2.78Å; K217-A219 PolarHBondContact O-N 2.99Å; K217-A219 VanDerWaalsContact O-N 3.13Å | ||
| 218 | Q | 38.5 | Very low | 38.5 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -65.3 | 110.7 | 160.9 | -70.4 | -170.1 | 15.8 | 0 | 0 | 108.3 | S216 S220 | S216-Q218 PolarHBondContact O-N 3.38Å; Q218-S220 PolarHBondContact O-N 3.4Å; Q218-S220 VanDerWaalsContact O-N 3.09Å | ||
| 219 | A | 39.4 | Very low | 38.3 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 105 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | K217 I221 | K217-A219 PolarHBondContact O-N 2.99Å; K217-A219 VanDerWaalsContact O-N 3.13Å; A219-I221 VanDerWaalsContact C-N 3.32Å; A219-I221 PolarHBondContact O-N 2.73Å | ||
| 220 | S | 38.7 | Very low | 38.3 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 91.4 | 166.9 | 40.9 | 0 | 0 | 0 | 0 | 109.4 | Q218 N222 | Q218-S220 PolarHBondContact O-N 3.4Å; Q218-S220 VanDerWaalsContact O-N 3.09Å; S220-N222 PolarHBondContact O-N 3.3Å; S220-N222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | I | 41.1 | Very low | 38 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -70 | 109 | 172.4 | -66.6 | 173.4 | 0 | 0 | 0 | 107.7 | A219 V223 | A219-I221 VanDerWaalsContact C-N 3.32Å; A219-I221 PolarHBondContact O-N 2.73Å; I221-V223 PolarHBondContact O-N 3.12Å | ||
| 222 | N | 42.8 | Very low | 38 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 123.2 | 176.7 | -66.4 | -49.4 | 0 | 0 | 0 | 110 | S220 I224 | S220-N222 PolarHBondContact O-N 3.3Å; S220-N222 VanDerWaalsContact O-N 3.1Å; N222-I224 PolarHBondContact O-N 2.91Å | ||
| 223 | V | 42 | Very low | 38 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -64.3 | 101.9 | 174.2 | -133 | 0 | 0 | 0 | 0 | 108.2 | I221 N225 | I221-V223 PolarHBondContact O-N 3.12Å; V223-N225 PolarHBondContact O-N 3.26Å; V223-N225 VanDerWaalsContact O-N 3.07Å | ||
| 224 | I | 45.8 | Very low | 38 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 112.1 | 172.4 | -54.5 | -177.7 | 0 | 0 | 0 | 106.4 | N222 L226 | N222-I224 PolarHBondContact O-N 2.91Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 HydrophobicContact CB-CD1 3.99Å; I224-L226 HydrophobicContact CG2-CD1 3.65Å; I224-L226 WeakPolarHBondContact O-CD1 3.32Å; I224-L226 PolarHBondContact O-N 3.11Å | ||
| 225 | N | 37.1 | Very low | 38 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -78.4 | 81.8 | -173.4 | -165.2 | -13.9 | 0 | 0 | 0 | 109.4 | V223 S227 | V223-N225 PolarHBondContact O-N 3.26Å; V223-N225 VanDerWaalsContact O-N 3.07Å; N225-S227 PolarHBondContact O-N 3.18Å; N225-S227 PolarHBondContact O-OG 3.12Å; N225-S227 PolarHBondContact OD1-OG 3.19Å | ||
| 226 | L | 40.8 | Very low | 38.1 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -73.8 | 55.3 | 173.8 | -80.7 | 89.1 | 0 | 0 | 0 | 111.6 | I224 G228 | I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 HydrophobicContact CB-CD1 3.99Å; I224-L226 HydrophobicContact CG2-CD1 3.65Å; I224-L226 WeakPolarHBondContact O-CD1 3.32Å; I224-L226 PolarHBondContact O-N 3.11Å; L226-G228 PolarHBondContact O-N 3.22Å | ||
| 227 | S | 32.2 | Very low | 37.5 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 71.6 | 166.3 | 26.3 | 0 | 0 | 0 | 0 | 110.2 | N225 | N225-S227 PolarHBondContact O-N 3.18Å; N225-S227 PolarHBondContact O-OG 3.12Å; N225-S227 PolarHBondContact OD1-OG 3.19Å | ||
| 228 | G | 35.8 | Very low | 37.2 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | -60.5 | 132.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L226 G230 | L226-G228 PolarHBondContact O-N 3.22Å; G228-G230 PolarHBondContact O-N 3.35Å | ||
| 229 | P | 37.1 | Very low | 37 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -78.4 | 88.6 | -169.6 | 30.9 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 230 | G | 33.5 | Very low | 36.7 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -123 | -42.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | G228 | G228-G230 PolarHBondContact O-N 3.35Š| ||
| 231 | L | 36.1 | Very low | 36.3 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -137.4 | 87.6 | -166.3 | -67 | 174.2 | 0 | 0 | 0 | 113.3 | T233 | L231-T233 PolarHBondContact O-N 2.97Š| ||
| 232 | N | 35 | Very low | 36.1 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -92.2 | 85.4 | 168.7 | -93 | -80 | 0 | 0 | 0 | 111.2 | R234 | N232-R234 VanDerWaalsContact C-N 3.33Å; N232-R234 PolarHBondContact O-N 3.07Å | ||
| 233 | T | 37.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -88.1 | 72.6 | 167.3 | -51.7 | 0 | 0 | 0 | 0 | 109.8 | L231 | L231-T233 PolarHBondContact O-N 2.97Š| ||
| 234 | R | 33.1 | Very low | 35.5 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -135.3 | 68.6 | 173.8 | -78 | -163.5 | -66.5 | 172.5 | -5.1 | 112.3 | N232 | N232-R234 VanDerWaalsContact C-N 3.33Å; N232-R234 PolarHBondContact O-N 3.07Å | ||
| 235 | Y | 35.2 | Very low | 34.8 | Very low | 230 Ų | 230 | 133.3 Ų | 133.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -156.9 | 109.8 | 154.6 | -81 | -69.4 | 0 | 0 | 0 | 109.5 | ||||
| 236 | L | 34.1 | Very low | 34.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | 179.7 | 106.1 | 121.7 | -95.4 | 164.4 | 0 | 0 | 0 | 109.1 | |||||
| 237 | N | 32.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -96.6 | 147.3 | 167.8 | -172 | 18.6 | 0 | 0 | 0 | 108.8 | ||||
| 238 | S | 32.6 | Very low | 34.5 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | 77.3 | 147.4 | 162.7 | 81.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 239 | I | 34.3 | Very low | 34.6 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 123.1 | 164.3 | -50.8 | 161.9 | 0 | 0 | 0 | 116 | ||||
| 240 | S | 32.7 | Very low | 34.6 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -159.9 | 137.3 | -19.1 | -100.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 241 | S | 30.6 | Very low | 35 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 11.5 | 107.7 | 152.8 | 58.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 242 | S | 38 | Very low | 35.3 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | -170 | 120.1 | 126.7 | 54 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 243 | K | 37.5 | Very low | 35.5 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | 45.1 | 129.7 | 149.8 | -66.9 | 177.7 | 174.7 | 178.8 | 0 | 120.8 | ||||
| 244 | S | 35.2 | Very low | 35.6 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | 54.7 | 121.8 | 166.8 | 52.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 245 | G | 29.8 | Very low | 36.1 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | 138.9 | 65 | 13.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 246 | N | 35.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | -164.9 | 120.9 | 166.5 | -93.5 | -21.3 | 0 | 0 | 0 | 107.5 | ||||
| 247 | S | 31 | Very low | 36.4 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | -89.7 | 136.8 | -172.5 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | S249 | S247-S249 PolarHBondContact O-N 3.11Š| ||
| 248 | P | 37.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -83.4 | 62.3 | 174.1 | 35.4 | -35.2 | 0 | 0 | 0 | 111.1 | ||
| 249 | S | 36.6 | Very low | 36.4 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 42% | 0.42 | 74% | 0.74 | S | S | . | * | trans | -100 | -14.1 | -178.7 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | S247 | S247-S249 PolarHBondContact O-N 3.11Š| ||
| 250 | D | 37 | Very low | 36.4 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 54% | 0.54 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -103.2 | 10.1 | -154.6 | -57.7 | -9.4 | 0 | 0 | 0 | 114.2 | R254 | D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-NE 2.79Å |
| 251 | V | 43.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99.7 | -31.4 | -176.7 | -147.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 252 | S | 41 | Very low | 36.9 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -96.6 | -15.3 | -174.7 | -53.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 253 | N | 39.1 | Very low | 37.1 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -98 | -4.7 | -176.1 | -71.8 | -22 | 0 | 0 | 0 | 114.4 | L255 L256 N257 | N253-L255 PolarHBondContact O-N 2.75Å; N253-L256 PolarHBondContact O-N 3.1Å; N253-N257 PolarHBondContact O-N 3.39Å; N253-N257 VanDerWaalsContact O-N 3.1Å |
| 254 | R | 41.6 | Very low | 37.4 | Very low | 193 Ų | 193 | 114.2 Ų | 114.2 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -18.1 | -176.6 | -66.9 | -172.9 | -170 | -163.5 | -0.6 | 114.7 | D250 | D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-NE 2.79Å |
| 255 | L | 43.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 113.1 Ų | 113.1 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -10.2 | 173.3 | -76.1 | 93.7 | 0 | 0 | 0 | 113.9 | N253 | N253-L255 PolarHBondContact O-N 2.75Š|
| 256 | L | 42.1 | Very low | 39.1 | Very low | 149 Ų | 149 | 114.3 Ų | 114.3 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -17.5 | -166.5 | -75.9 | 163.7 | 0 | 0 | 0 | 115 | N253 | N253-L256 PolarHBondContact O-N 3.1Š|
| 257 | N | 32.2 | Very low | 39.7 | Very low | 144 Ų | 144 | 110 Ų | 110 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -147.6 | 69 | 177.1 | -161.4 | 62.2 | 0 | 0 | 0 | 111.6 | N253 | N253-N257 PolarHBondContact O-N 3.39Å; N253-N257 VanDerWaalsContact O-N 3.1Å |
| 258 | G | 34.7 | Very low | 41 | Very low | 62 Ų | 62 | 107.9 Ų | 107.9 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | trans | -129.1 | 92.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 259 | T | 31.3 | Very low | 42.1 | Very low | 145 Ų | 145 | 105.1 Ų | 105.1 | 89% | 0.89 | 60% | 0.603 | S | S | * | * | trans | -54.7 | 138.8 | 171.2 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 260 | A | 34.1 | Very low | 43.2 | Very low | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | S | Bend | trans | 86.1 | 104.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118 | N262 | A260-N262 PolarHBondContact O-N 3.47Å; A260-N262 PolarHBondContact O-ND2 3.49Å |
| 261 | N | 36 | Very low | 44.6 | Very low | 154 Ų | 154 | 103.2 Ų | 103.2 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | 61.5 | 38 | 126.2 | -49.2 | -4.8 | 0 | 0 | 0 | 119.3 | |||||
| 262 | N | 37.6 | Very low | 45.4 | Very low | 101 Ų | 101 | 101.3 Ų | 101.3 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | trans | -103.4 | 33.5 | -179.5 | -86.3 | -81.9 | 0 | 0 | 0 | 115.3 | A260 S264 N265 | A260-N262 PolarHBondContact O-N 3.47Å; A260-N262 PolarHBondContact O-ND2 3.49Å; N262-S264 PolarHBondContact O-N 3.12Å; N262-N265 PolarHBondContact O-N 3.46Å; N262-N265 PolarHBondContact OD1-ND2 3.31Å | ||
| 263 | S | 41.2 | Very low | 46.3 | Very low | 91 Ų | 91 | 99.7 Ų | 99.7 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -27.3 | 175.5 | 38.9 | 0 | 0 | 0 | 0 | 113.6 | N265 L266 L267 | S263-N265 PolarHBondContact O-N 3.39Å; S263-L266 PolarHBondContact O-N 3.47Å; S263-L267 PolarHBondContact O-N 3.32Å; S263-L267 VanDerWaalsContact O-N 3.12Å |
| 264 | S | 45.2 | Very low | 47.1 | Very low | 70 Ų | 70 | 95.5 Ų | 95.5 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.9 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | N262 L266 L267 S268 | N262-S264 PolarHBondContact O-N 3.12Å; S264-L266 PolarHBondContact O-N 3.37Å; S264-L267 PolarHBondContact O-N 3.07Å; S264-S268 PolarHBondContact O-N 3.39Å; S264-S268 VanDerWaalsContact O-N 3.07Å; S264-S268 PolarHBondContact O-OG 2.76Å; S264-S268 VanDerWaalsContact O-OG 3.12Å |
| 265 | N | 51.5 | Low | 47.8 | Very low | 104 Ų | 104 | 91 Ų | 91 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -31.6 | -177 | -75.1 | -47 | 0 | 0 | 0 | 112.8 | N262 S263 Q269 | N262-N265 PolarHBondContact O-N 3.46Å; N262-N265 PolarHBondContact OD1-ND2 3.31Å; S263-N265 PolarHBondContact O-N 3.39Å; N265-Q269 PolarHBondContact O-N 2.94Å |
| 266 | L | 49.5 | Very low | 48.3 | Very low | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.5 | -37.3 | 173.4 | -67.8 | 174.3 | 0 | 0 | 0 | 111.6 | Y181 S263 S264 S268 Q269 F270 | Y181-L266 HydrophobicContact CD2-CD1 4.36Å; Y181-L266 HydrophobicContact CE2-CD1 4.28Å; S263-L266 PolarHBondContact O-N 3.47Å; S264-L266 PolarHBondContact O-N 3.37Å; L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.47Å; L266-Q269 VanDerWaalsContact O-CB 3.27Å; L266-Q269 WeakPolarHBondContact O-CB 3.35Å; L266-Q269 PolarHBondContact O-N 3.07Å; L266-F270 WeakPolarHBondContact O-CD2 3.22Å; L266-F270 PolarHBondContact O-N 3.44Å |
| 267 | L | 48 | Very low | 48.8 | Very low | 77 Ų | 77 | 86.2 Ų | 86.2 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 174.7 | -165.9 | 61.8 | 0 | 0 | 0 | 111.8 | D122 S263 S264 Q269 F270 N271 | D122-L267 WeakPolarHBondContact OD1-CD1 3.34Å; S263-L267 PolarHBondContact O-N 3.32Å; S263-L267 VanDerWaalsContact O-N 3.12Å; S264-L267 PolarHBondContact O-N 3.07Å; L267-Q269 VanDerWaalsContact C-N 3.27Å; L267-Q269 PolarHBondContact O-N 3.37Å; L267-F270 PolarHBondContact O-N 2.79Å; L267-N271 PolarHBondContact O-N 3.16Å |
| 268 | S | 58.9 | Low | 49.5 | Very low | 50 Ų | 50 | 86.7 Ų | 86.7 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -30.2 | 171 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | S264 L266 N271 Q272 | S264-S268 PolarHBondContact O-N 3.39Å; S264-S268 VanDerWaalsContact O-N 3.07Å; S264-S268 PolarHBondContact O-OG 2.76Å; S264-S268 VanDerWaalsContact O-OG 3.12Å; L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.47Å; S268-N271 PolarHBondContact O-N 2.98Å; S268-Q272 WeakPolarHBondContact O-CG 3.4Å; S268-Q272 PolarHBondContact O-N 3.43Å |
| 269 | Q | 60.2 | Low | 49.7 | Very low | 73 Ų | 73 | 87.4 Ų | 87.4 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.3 | -37 | 178.2 | -169.6 | 75 | -15.3 | 0 | 0 | 112.1 | L177 N265 L266 L267 N271 | L177-Q269 HydrophobicContact CD1-CG 3.92Å; L177-Q269 HydrophobicContact CD2-CG 3.77Å; N265-Q269 PolarHBondContact O-N 2.94Å; L266-Q269 VanDerWaalsContact O-CB 3.27Å; L266-Q269 WeakPolarHBondContact O-CB 3.35Å; L266-Q269 PolarHBondContact O-N 3.07Å; L267-Q269 VanDerWaalsContact C-N 3.27Å; L267-Q269 PolarHBondContact O-N 3.37Å; Q269-N271 VanDerWaalsContact C-N 3.33Å |
| 270 | F | 59.8 | Low | 50.2 | Low | 26 Ų | 26 | 84 Ų | 84 | 11% | 0.114 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68 | -30.5 | 175.3 | -66.9 | -67.2 | 0 | 0 | 0 | 112.7 | Y170 Q174 L177 R178 Y181 L266 L267 | Y170-F270 PolarHBondContact OH-O 3.33Å; Q174-F270 PolarHBondContact NE2-O 2.94Å; L177-F270 HydrophobicContact CB-CD1 3.95Å; L177-F270 HydrophobicContact CB-CE1 3.51Å; L177-F270 HydrophobicContact CB-CZ 4.39Å; L177-F270 HydrophobicContact CD1-CD1 4.36Å; R178-F270 HydrophobicContact CB-CE1 4.47Å; R178-F270 HydrophobicContact CG-CD1 4.16Å; R178-F270 HydrophobicContact CG-CE1 3.59Å; R178-F270 HydrophobicContact CG-CZ 4.4Å; Y181-F270 HydrophobicContact CG-CZ 4.22Å; L266-F270 WeakPolarHBondContact O-CD2 3.22Å; L266-F270 PolarHBondContact O-N 3.44Å; L267-F270 PolarHBondContact O-N 2.79Å |
| 271 | N | 66.3 | Low | 50.3 | Low | 95 Ų | 95 | 88 Ų | 88 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8.8 | -177.1 | -68.9 | -24.5 | 0 | 0 | 0 | 114.7 | L267 S268 Q269 | L267-N271 PolarHBondContact O-N 3.16Å; S268-N271 PolarHBondContact O-N 2.98Å; Q269-N271 VanDerWaalsContact C-N 3.33Å |
| 272 | Q | 61.2 | Low | 50.3 | Low | 80 Ų | 80 | 88.6 Ų | 88.6 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -79.5 | 134.3 | 175.4 | -83.9 | 165.8 | 32.1 | 0 | 0 | 112.4 | Y170 S268 | Y170-Q272 WeakPolarHBondContact CE2-O 3.4Å; S268-Q272 WeakPolarHBondContact O-CG 3.4Å; S268-Q272 PolarHBondContact O-N 3.43Å |
| 273 | P | 59.1 | Low | 50.5 | Low | 68 Ų | 68 | 92.9 Ų | 92.9 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 158.2 | 170.9 | 26.4 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 274 | P | 54.8 | Low | 50 | Low | 12 Ų | 12 | 93.4 Ų | 93.4 | 8% | 0.078 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 141.9 | -177.9 | 25.1 | -33.6 | 0 | 0 | 0 | 112.1 | F162 G276 | F162-P274 HydrophobicContact CE2-CG 3.84Å; P274-G276 PolarHBondContact O-N 3.14Å |
| 275 | P | 56.4 | Low | 49.7 | Very low | 99 Ų | 99 | 98.1 Ų | 98.1 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 128.2 | 171 | -17.8 | 31.1 | 0 | 0 | 0 | 110.3 | ||
| 276 | G | 54 | Low | 48.9 | Very low | 59 Ų | 59 | 96.4 Ų | 96.4 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.8 | -7.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P274 L278 | P274-G276 PolarHBondContact O-N 3.14Å; G276-L278 PolarHBondContact O-N 3.21Å |
| 277 | Y | 52.4 | Low | 47.9 | Very low | 152 Ų | 152 | 97.9 Ų | 97.9 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | trans | -65.6 | 68.8 | 174.4 | -139 | -87.2 | 0 | 0 | 0 | 112.7 | Y160 | Y160-Y277 WeakPolarHBondContact CB-OH 3.43Å; Y160-Y277 WeakPolarHBondContact O-CE2 3.42Å; Y160-Y277 PolarHBondContact O-OH 3.29Å | ||
| 278 | L | 47.4 | Very low | 47.4 | Very low | 154 Ų | 154 | 99.7 Ų | 99.7 | 81% | 0.806 | 61% | 0.607 | S | S | * | * | trans | -100.6 | 128.6 | 166.1 | -66.8 | 172.3 | 0 | 0 | 0 | 107.1 | G276 G280 | G276-L278 PolarHBondContact O-N 3.21Å; L278-G280 PolarHBondContact O-N 3.07Å | ||
| 279 | G | 40 | Very low | 46.1 | Very low | 78 Ų | 78 | 105 Ų | 105 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | -57.5 | 96 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T281 | G279-T281 PolarHBondContact O-N 3.49Š| ||
| 280 | G | 40.4 | Very low | 45.2 | Very low | 73 Ų | 73 | 104.5 Ų | 104.5 | 75% | 0.753 | 65% | 0.652 | S | S | * | * | trans | -78.5 | 116.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | L278 Q282 | L278-G280 PolarHBondContact O-N 3.07Å; G280-Q282 PolarHBondContact O-N 3.13Å | ||
| 281 | T | 36.2 | Very low | 44.2 | Very low | 137 Ų | 137 | 109.3 Ų | 109.3 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | -59.1 | 126.6 | 179.8 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | G279 | G279-T281 PolarHBondContact O-N 3.49Š| ||
| 282 | Q | 37 | Very low | 42.9 | Very low | 167 Ų | 167 | 108.7 Ų | 108.7 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | trans | 8.2 | 109.4 | 166.7 | -65.1 | -162.2 | 85.6 | 0 | 0 | 117.6 | G280 T284 | G280-Q282 PolarHBondContact O-N 3.13Å; Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 HydrophobicContact CB-CG2 3.96Å; Q282-T284 PolarHBondContact O-N 2.95Å; Q282-T284 VanDerWaalsContact O-N 3.1Å | ||
| 283 | Q | 41.5 | Very low | 42.6 | Very low | 191 Ų | 191 | 109 Ų | 109 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | -70.6 | 95.3 | 146.3 | -81.6 | -171.5 | -8.3 | 0 | 0 | 108.7 | N285 | Q283-N285 PolarHBondContact O-N 3.19Å; Q283-N285 VanDerWaalsContact O-N 3.13Å | ||
| 284 | T | 31.1 | Very low | 42.2 | Very low | 103 Ų | 103 | 110 Ų | 110 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | trans | -76.4 | 94.1 | 170.9 | 53.6 | 0 | 0 | 0 | 0 | 110 | Q282 | Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 HydrophobicContact CB-CG2 3.96Å; Q282-T284 PolarHBondContact O-N 2.95Å; Q282-T284 VanDerWaalsContact O-N 3.1Å | ||
| 285 | N | 37.7 | Very low | 42.2 | Very low | 168 Ų | 168 | 117 Ų | 117 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -157 | 119.9 | 161.3 | -96.6 | -28.1 | 0 | 0 | 0 | 110.8 | Q283 | Q283-N285 PolarHBondContact O-N 3.19Å; Q283-N285 VanDerWaalsContact O-N 3.13Å | ||
| 286 | G | 34.5 | Very low | 42 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 86.1 | 59.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | T288 | G286-T288 PolarHBondContact O-N 3.16Š|
| 287 | S | 28.3 | Very low | 41.9 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 88% | 0.881 | 73% | 0.734 | S | S | * | * | trans | 43.7 | 72.1 | 139.7 | -175.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 288 | T | 38.2 | Very low | 41.7 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -133.5 | 120.3 | 155.2 | 40 | 0 | 0 | 0 | 0 | 111.1 | G286 G290 | G286-T288 PolarHBondContact O-N 3.16Å; T288-G290 PolarHBondContact O-N 3.36Å | ||
| 289 | T | 31.7 | Very low | 42.1 | Very low | 162 Ų | 162 | 113 Ų | 113 | 99% | 0.994 | 73% | 0.725 | S | S | * | * | trans | -76.2 | 85.4 | 172.7 | 41.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 290 | G | 40.7 | Very low | 42.6 | Very low | 62 Ų | 62 | 113.2 Ų | 113.2 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | -124.6 | 116.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T288 G292 | T288-G290 PolarHBondContact O-N 3.36Å; G290-G292 PolarHBondContact O-N 3.34Å | ||
| 291 | T | 40.2 | Very low | 43.1 | Very low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -39 | 127.3 | 179.1 | 46.9 | 0 | 0 | 0 | 0 | 115.4 | V293 | T291-V293 VanDerWaalsContact O-CG2 3.23Å; T291-V293 WeakPolarHBondContact O-CG2 3.2Å; T291-V293 PolarHBondContact O-N 3.37Å | ||
| 292 | G | 38.9 | Very low | 43.4 | Very low | 82 Ų | 82 | 112.1 Ų | 112.1 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -72.2 | 106.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G290 | G290-G292 PolarHBondContact O-N 3.34Š| ||
| 293 | V | 53.3 | Low | 43.7 | Very low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.515 | 71% | 0.707 | S | S | . | * | trans | -118.2 | -8 | 177.5 | -132.3 | 0 | 0 | 0 | 0 | 114 | T291 N295 I296 | T291-V293 VanDerWaalsContact O-CG2 3.23Å; T291-V293 WeakPolarHBondContact O-CG2 3.2Å; T291-V293 PolarHBondContact O-N 3.37Å; V293-N295 PolarHBondContact O-N 3.21Å; V293-I296 HydrophobicContact CG1-CD1 4.19Å; V293-I296 PolarHBondContact O-N 2.73Å | ||
| 294 | F | 51.4 | Low | 43.5 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 40% | 0.399 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | -13.6 | -169.1 | -72.1 | -80.7 | 0 | 0 | 0 | 116.7 | T155 | T155-F294 VanDerWaalsContact CB-CZ 3.47Å; T155-F294 HydrophobicContact CG2-CE1 3.74Å; T155-F294 HydrophobicContact CG2-CE2 4.28Å; T155-F294 HydrophobicContact CG2-CZ 3.59Å |
| 295 | N | 54.5 | Low | 44.1 | Very low | 157 Ų | 157 | 109 Ų | 109 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 5.1 | -177 | -101.8 | 29 | 0 | 0 | 0 | 114.5 | V293 | V293-N295 PolarHBondContact O-N 3.21Š|
| 296 | I | 52.7 | Low | 43.8 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 56% | 0.564 | 70% | 0.704 | S | S | * | * | trans | -99.7 | 113 | -179.3 | -60.7 | 168.6 | 0 | 0 | 0 | 108.6 | Y160 V293 | Y160-I296 WeakPolarHBondContact CE1-O 3.35Å; V293-I296 HydrophobicContact CG1-CD1 4.19Å; V293-I296 PolarHBondContact O-N 2.73Å | ||
| 297 | P | 52.7 | Low | 43.9 | Very low | 83 Ų | 83 | 106.6 Ų | 106.6 | 54% | 0.539 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 146.4 | 171.8 | 28.5 | -33.8 | 0 | 0 | 0 | 110 | ||
| 298 | P | 46.4 | Very low | 44.2 | Very low | 48 Ų | 48 | 108.1 Ų | 108.1 | 31% | 0.312 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 143.6 | 179.7 | 22.6 | -30.1 | 0 | 0 | 0 | 111.1 | G300 F301 | P298-G300 PolarHBondContact O-N 3.22Å; P298-G300 VanDerWaalsContact O-N 3.11Å; P298-F301 HydrophobicContact CG-CB 4.11Å; P298-F301 HydrophobicContact CG-CD2 4.26Å; P298-F301 HydrophobicContact CG-CG 4.43Å; P298-F301 PolarHBondContact O-N 3.3Å |
| 299 | P | 56.2 | Low | 44.2 | Very low | 141 Ų | 141 | 110.6 Ų | 110.6 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 119.3 | 178 | -25.4 | 34.1 | 0 | 0 | 0 | 111.3 | ||
| 300 | G | 51.3 | Low | 44.3 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.7 | -20.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P298 G302 | P298-G300 PolarHBondContact O-N 3.22Å; P298-G300 VanDerWaalsContact O-N 3.11Å; G300-G302 PolarHBondContact O-N 3.31Å |
| 301 | F | 50.5 | Low | 44.1 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 58% | 0.575 | 70% | 0.704 | S | S | * | * | trans | -85 | 46.7 | 171.7 | -106.3 | -93.9 | 0 | 0 | 0 | 112.2 | P298 | P298-F301 HydrophobicContact CG-CB 4.11Å; P298-F301 HydrophobicContact CG-CD2 4.26Å; P298-F301 HydrophobicContact CG-CG 4.43Å; P298-F301 PolarHBondContact O-N 3.3Å | ||
| 302 | G | 42.4 | Very low | 44 | Very low | 56 Ų | 56 | 114.2 Ų | 114.2 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | trans | -64.9 | 143.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G300 L304 | G300-G302 PolarHBondContact O-N 3.31Å; G302-L304 PolarHBondContact O-N 3.12Å; G302-L304 VanDerWaalsContact O-N 3.09Å | ||
| 303 | T | 43.3 | Very low | 43.9 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -55.5 | 116.7 | 177 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | T305 | T303-T305 PolarHBondContact O-N 3.09Š| ||
| 304 | L | 37.9 | Very low | 42.9 | Very low | 155 Ų | 155 | 122 Ų | 122 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -69.8 | 79.4 | 170.1 | -68.4 | 176.8 | 0 | 0 | 0 | 109.3 | G302 P306 | G302-L304 PolarHBondContact O-N 3.12Å; G302-L304 VanDerWaalsContact O-N 3.09Å; L304-P306 WeakPolarHBondContact O-CD 2.8Å | ||
| 305 | T | 42.9 | Very low | 42.1 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | -62 | 121.8 | 168.3 | -52.9 | 0 | 0 | 0 | 0 | 107.8 | T303 G307 | T303-T305 PolarHBondContact O-N 3.09Å; T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 2.97Å | ||
| 306 | P | 32.7 | Very low | 41 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -76.2 | 84.2 | -176.6 | 30.3 | -34.4 | 0 | 0 | 0 | 110.4 | L304 | L304-P306 WeakPolarHBondContact O-CD 2.8Š|
| 307 | G | 35.5 | Very low | 40.3 | Very low | 52 Ų | 52 | 120.8 Ų | 120.8 | 54% | 0.536 | 75% | 0.748 | S | S | . | * | trans | -161.6 | 128.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T305 | T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 2.97Å | ||
| 308 | N | 34.7 | Very low | 39.5 | Very low | 157 Ų | 157 | 123 Ų | 123 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | 60.4 | 90 | 162.5 | -54.5 | -10.2 | 0 | 0 | 0 | 117.2 | ||||
| 309 | N | 37.6 | Very low | 39.1 | Very low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -161.8 | 91.8 | 139.2 | -97.2 | -38.7 | 0 | 0 | 0 | 110.5 | ||||
| 310 | S | 35 | Very low | 38.1 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -130.8 | 125.2 | 168.8 | -79.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 311 | Q | 36.9 | Very low | 37.3 | Very low | 184 Ų | 184 | 123.8 Ų | 123.8 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 134.3 | -171.4 | -41.7 | -167 | 4.3 | 0 | 0 | 111 | ||||
| 312 | V | 36.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -137.3 | 143.6 | 44.8 | -156.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 313 | L | 37.5 | Very low | 36.3 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | -170.7 | 86.4 | 124.8 | -98.3 | 176.2 | 0 | 0 | 0 | 109 | |||||
| 314 | N | 32.8 | Very low | 36 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 96 | 165.3 | 177.2 | 42.6 | 0 | 0 | 0 | 108.1 | ||||
| 315 | A | 34.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -151.3 | 114.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 316 | A | 31.4 | Very low | 35.3 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -58.5 | 133.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 317 | N | 38.7 | Very low | 35.7 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -155.5 | 105.8 | 144.2 | -154.1 | -10.6 | 0 | 0 | 0 | 112.5 | A319 | N317-A319 PolarHBondContact O-N 3.24Š| ||
| 318 | P | 35.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 76.7 | -174.9 | 35.8 | -33.7 | 0 | 0 | 0 | 112.1 | ||
| 319 | A | 36.4 | Very low | 36 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | -14.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | N317 | N317-A319 PolarHBondContact O-N 3.24Š|
| 320 | A | 36 | Very low | 35.9 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -121 | -0.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A322 | A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 2.94Å; A320-A322 VanDerWaalsContact O-N 3.14Å |
| 321 | A | 34.3 | Very low | 35.9 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 22.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 322 | A | 36 | Very low | 36 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -0.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A320 | A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 2.94Å; A320-A322 VanDerWaalsContact O-N 3.14Å |
| 323 | A | 37.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -117.9 | -0.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 324 | A | 36.1 | Very low | 36.6 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -115.9 | 3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A326 | A324-A326 PolarHBondContact O-N 3.42Š|
| 325 | A | 32.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -95.5 | 62.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 326 | A | 35 | Very low | 37.5 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -153.6 | 66.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A324 | A324-A326 PolarHBondContact O-N 3.42Š| ||
| 327 | L | 39.3 | Very low | 37.8 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -164.9 | 12.4 | 163.3 | -110.4 | 163.7 | 0 | 0 | 0 | 116.6 | ||
| 328 | F | 36.3 | Very low | 38 | Very low | 206 Ų | 206 | 122.8 Ų | 122.8 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -135.9 | 116.5 | 177.2 | -63.3 | -75.3 | 0 | 0 | 0 | 112.5 | ||||
| 329 | P | 40.5 | Very low | 37.9 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -94.5 | 142.7 | 165.9 | 33.9 | -28.9 | 0 | 0 | 0 | 112.1 | ||||
| 330 | N | 35.9 | Very low | 37.6 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 65.4 | 102.2 | 165.2 | -77.3 | -46 | 0 | 0 | 0 | 119.3 | ||||
| 331 | L | 36.3 | Very low | 37.6 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | 166.3 | 84.4 | 109 | -88.4 | 158.5 | 0 | 0 | 0 | 111.2 | |||||
| 332 | A | 37.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -151.9 | 77.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 333 | V | 46.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -136.5 | 113.3 | 167.1 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 334 | P | 41.3 | Very low | 37 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.5 | 174.8 | 32.8 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 335 | P | 42.5 | Very low | 37 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 150.7 | 169.9 | 31.7 | -33.1 | 0 | 0 | 0 | 111.6 | ||
| 336 | P | 42.6 | Very low | 36.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 152.3 | -171.7 | 32.1 | -36.4 | 0 | 0 | 0 | 114.1 | ||
| 337 | V | 38.1 | Very low | 36.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 130 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | ||
| 338 | V | 43.9 | Very low | 36.5 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -118.6 | 133.7 | 164.9 | -72.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 339 | N | 32.8 | Very low | 36.6 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -107.1 | 147.2 | -168.1 | -154 | 63.2 | 0 | 0 | 0 | 110.5 | ||||
| 340 | N | 31.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 56.8 | 113 | 168.2 | -64.4 | -8.8 | 0 | 0 | 0 | 119.1 | ||||
| 341 | L | 34.1 | Very low | 36 | Very low | 177 Ų | 177 | 136 Ų | 136 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | -149.9 | 138.6 | 114.9 | -166.6 | 57.1 | 0 | 0 | 0 | 110.5 | |||||
| 342 | A | 32.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -92.6 | 151.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 343 | G | 32.1 | Very low | 35.6 | Very low | 60 Ų | 60 | 133.9 Ų | 133.9 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | trans | 144.2 | 143.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 344 | W | 31 | Very low | 35 | Very low | 251 Ų | 251 | 135.7 Ų | 135.7 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | 85.8 | 143.6 | 159.5 | -56 | 93.2 | 0 | 0 | 0 | 117.7 | ||||
| 345 | P | 35.4 | Very low | 35 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | -123.5 | 171.9 | -123.7 | 41.2 | -30.4 | 0 | 0 | 0 | 115.6 | |||||
| 346 | T | 31 | Very low | 34.8 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -48.1 | 128.7 | 172.3 | 48 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 347 | G | 35.1 | Very low | 34.5 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -151.6 | 110.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M349 | G347-M349 PolarHBondContact O-N 3.38Š| ||
| 348 | N | 30.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 133 Ų | 133 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 122 | 174.4 | -96.4 | 0.1 | 0 | 0 | 0 | 110.6 | ||||
| 349 | M | 37.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -138 | 106.7 | 159.3 | -70.8 | -64.2 | -79.9 | 0 | 0 | 109.2 | G347 | G347-M349 PolarHBondContact O-N 3.38Š| ||
| 350 | T | 32.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 122.7 | 172.4 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 351 | L | 33 | Very low | 35.9 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -133.4 | 112.3 | 167.8 | -79.6 | 176.2 | 0 | 0 | 0 | 111.6 | ||||
| 352 | S | 30.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 177.7 | 162.4 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 353 | S | 33 | Very low | 37.7 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 85.8 | 69.6 | 171.8 | -173 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 354 | L | 35 | Very low | 39 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | trans | -151.4 | 81.5 | 141.6 | -76.7 | -171.7 | 0 | 0 | 0 | 109.9 | ||||
| 355 | I | 41.4 | Very low | 40.3 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -132.4 | 123.8 | 162.3 | -63 | -178.6 | 0 | 0 | 0 | 107.2 | ||||
| 356 | A | 38.2 | Very low | 41.8 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | -83 | 153.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G358 | A356-G358 PolarHBondContact O-N 2.95Å; A356-G358 VanDerWaalsContact O-N 3.16Å | ||
| 357 | S | 35.6 | Very low | 43.1 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 96% | 0.958 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 112.4 | -176.5 | -42.4 | 0 | 0 | 0 | 0 | 112 | ||
| 358 | G | 42.6 | Very low | 43.9 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.5 | -26.9 | 168 | 0 | 0 | 0 | 0 | 0 | 116.5 | A356 | A356-G358 PolarHBondContact O-N 2.95Å; A356-G358 VanDerWaalsContact O-N 3.16Å |
| 359 | D | 37.2 | Very low | 44.8 | Very low | 136 Ų | 136 | 116 Ų | 116 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -87.1 | 128.8 | -168.1 | -71.5 | -33.4 | 0 | 0 | 0 | 114.2 | I361 | D359-I361 PolarHBondContact O-N 3.14Š| ||
| 360 | A | 49.7 | Very low | 45.2 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | -70.5 | 116.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | I362 | A360-I362 PolarHBondContact O-N 2.84Š| ||
| 361 | I | 47 | Very low | 45.7 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 61% | 0.605 | 68% | 0.682 | S | S | * | * | trans | -76.2 | 111.3 | 178.9 | -57.1 | 175.4 | 0 | 0 | 0 | 109.3 | D359 | D359-I361 PolarHBondContact O-N 3.14Š| ||
| 362 | I | 52.2 | Low | 46.1 | Very low | 117 Ų | 117 | 108 Ų | 108 | 60% | 0.6 | 68% | 0.681 | S | S | * | * | B | Isolated β-bridge | trans | -79.1 | 118.5 | 168.7 | -58.9 | 173.2 | 0 | 0 | 0 | 108.1 | A360 P364 | A360-I362 PolarHBondContact O-N 2.84Å; I362-P364 WeakPolarHBondContact O-CD 3.45Å |
| 363 | D | 51.4 | Low | 46.6 | Very low | 53 Ų | 53 | 108.3 Ų | 108.3 | 28% | 0.283 | 67% | 0.672 | S | S | . | * | trans | -71.1 | 116.1 | 169.9 | 170.1 | 9.2 | 0 | 0 | 0 | 109.8 | T365 T366 G367 | D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 WeakPolarHBondContact OD1-CB 3.41Å; D363-T365 PolarHBondContact OD1-N 3.05Å; D363-T365 PolarHBondContact OD1-OG1 3.39Å; D363-T365 PolarHBondContact OD2-OG1 2.93Å; D363-T366 VanDerWaalsContact CG-OG1 3.26Å; D363-T366 PolarHBondContact O-N 2.69Å; D363-T366 WeakPolarHBondContact OD2-CB 3.11Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.35Å; D363-T366 PolarHBondContact OD2-OG1 3.1Å; D363-G367 PolarHBondContact O-N 3.02Å | ||
| 364 | P | 59.6 | Low | 46.9 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 81% | 0.805 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -11.5 | -177.6 | 30 | -36.5 | 0 | 0 | 0 | 113.6 | I362 | I362-P364 WeakPolarHBondContact O-CD 3.45Š|
| 365 | T | 57.4 | Low | 47 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 74% | 0.736 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -24.1 | -178.4 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | D363 | D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 WeakPolarHBondContact OD1-CB 3.41Å; D363-T365 PolarHBondContact OD1-N 3.05Å; D363-T365 PolarHBondContact OD1-OG1 3.39Å; D363-T365 PolarHBondContact OD2-OG1 2.93Å |
| 366 | T | 67.6 | Low | 46.7 | Very low | 79 Ų | 79 | 105.1 Ų | 105.1 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | -19.6 | -177.2 | 64 | 0 | 0 | 0 | 0 | 114.6 | D363 Q368 | D363-T366 VanDerWaalsContact CG-OG1 3.26Å; D363-T366 PolarHBondContact O-N 2.69Å; D363-T366 WeakPolarHBondContact OD2-CB 3.11Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.35Å; D363-T366 PolarHBondContact OD2-OG1 3.1Å; T366-Q368 PolarHBondContact O-N 3.37Å; T366-Q368 VanDerWaalsContact O-N 3.13Å; T366-Q368 PolarHBondContact OG1-N 3.42Å |
| 367 | G | 57.7 | Low | 46.8 | Very low | 53 Ų | 53 | 109.4 Ų | 109.4 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | trans | 62.5 | 13.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D363 | D363-G367 PolarHBondContact O-N 3.02Š| ||
| 368 | Q | 52.7 | Low | 46.7 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 66% | 0.663 | S | S | * | * | trans | -78.5 | 126.9 | 176.8 | -67.3 | -74.2 | -65.3 | 0 | 0 | 109.3 | T366 S370 | T366-Q368 PolarHBondContact O-N 3.37Å; T366-Q368 VanDerWaalsContact O-N 3.13Å; T366-Q368 PolarHBondContact OG1-N 3.42Å; Q368-S370 PolarHBondContact O-N 3.06Å; Q368-S370 VanDerWaalsContact O-N 3.12Å | ||
| 369 | I | 50.5 | Low | 46.5 | Very low | 132 Ų | 132 | 116.7 Ų | 116.7 | 68% | 0.677 | 66% | 0.664 | S | S | * | * | B | Isolated β-bridge | trans | -80 | 91.3 | 167 | -56.4 | 173.7 | 0 | 0 | 0 | 106.7 | G371 | I369-G371 PolarHBondContact O-N 3.36Å |
| 370 | S | 45.1 | Very low | 46.5 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | -73.1 | 81.2 | 170.1 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | Q368 I372 | Q368-S370 PolarHBondContact O-N 3.06Å; Q368-S370 VanDerWaalsContact O-N 3.12Å; S370-I372 PolarHBondContact O-N 2.96Å; S370-I372 VanDerWaalsContact O-N 3.11Å | ||
| 371 | G | 41.8 | Very low | 45.9 | Very low | 54 Ų | 54 | 116.1 Ų | 116.1 | 56% | 0.557 | 68% | 0.675 | S | S | * | * | trans | -59.4 | 113.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I369 I373 | I369-G371 PolarHBondContact O-N 3.36Å; G371-I373 VanDerWaalsContact C-N 3.35Å; G371-I373 PolarHBondContact O-N 3.28Å | ||
| 372 | I | 41.7 | Very low | 45.5 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | trans | -67.3 | 99.6 | 172.3 | -63.5 | 172.9 | 0 | 0 | 0 | 106.4 | S370 D374 | S370-I372 PolarHBondContact O-N 2.96Å; S370-I372 VanDerWaalsContact O-N 3.11Å; I372-D374 PolarHBondContact O-N 3.24Å; I372-D374 VanDerWaalsContact O-N 3.14Å | ||
| 373 | I | 41.9 | Very low | 44.7 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 64% | 0.641 | 69% | 0.692 | S | S | * | * | trans | -69.4 | 107.5 | 168.3 | -60.6 | 171.9 | 0 | 0 | 0 | 105.8 | G371 H375 | G371-I373 VanDerWaalsContact C-N 3.35Å; G371-I373 PolarHBondContact O-N 3.28Å; I373-H375 WeakPolarHBondContact CG2-CE1 3.33Å; I373-H375 PolarHBondContact O-N 2.95Å | ||
| 374 | D | 38.3 | Very low | 44.1 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | trans | -67.4 | 120.6 | 176 | -157.2 | -7.7 | 0 | 0 | 0 | 109.1 | I372 | I372-D374 PolarHBondContact O-N 3.24Å; I372-D374 VanDerWaalsContact O-N 3.14Å | ||
| 375 | H | 38.2 | Very low | 43.1 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -113.7 | 49.1 | -176.9 | -75.7 | -49 | 0 | 0 | 0 | 110.7 | I373 | I373-H375 WeakPolarHBondContact CG2-CE1 3.33Å; I373-H375 PolarHBondContact O-N 2.95Å | ||
| 376 | G | 34.8 | Very low | 42 | Very low | 43 Ų | 43 | 125.9 Ų | 125.9 | 44% | 0.443 | 72% | 0.719 | S | S | . | * | trans | -134.2 | 132.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 377 | D | 39.7 | Very low | 40.8 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | cis | -127.8 | 149.3 | 36.3 | -72.3 | -51.1 | 0 | 0 | 0 | 115.3 | ||||
| 378 | R | 33.7 | Very low | 40.1 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 74% | 0.737 | S | S | * | * | trans | -77.7 | 129.5 | 168.1 | -76.9 | 170.8 | 162.8 | 171.5 | -6.1 | 110.5 | ||||
| 379 | S | 37.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -134.5 | 121.4 | 152.5 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 380 | P | 37.7 | Very low | 38.9 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -97 | 133.9 | -172.1 | 35.3 | -31.9 | 0 | 0 | 0 | 112.9 | ||||
| 381 | G | 37.7 | Very low | 38.7 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -172.8 | 129.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | S | 37.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 61.1 | 99.1 | -179 | -132.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 383 | M | 36.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | cis | 55.9 | 128.5 | 38.7 | -66.2 | -73.5 | 105.3 | 0 | 0 | 114 | ||||
| 384 | Y | 38 | Very low | 38.2 | Very low | 217 Ų | 217 | 145.5 Ų | 145.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 106.5 | -179 | -48.7 | -75.5 | 0 | 0 | 0 | 114.9 | ||||
| 385 | S | 39 | Very low | 38.2 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | -157.1 | 151.1 | 37.8 | -63.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 386 | N | 34.9 | Very low | 38.2 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 162.7 | 160.3 | -49.6 | -66.6 | 0 | 0 | 0 | 108.5 | ||||
| 387 | E | 42.6 | Very low | 38.7 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | -152.4 | 155.7 | 67.8 | -59.5 | -55.7 | 141.5 | 0 | 0 | 113.4 | |||||
| 388 | D | 41.9 | Very low | 38.8 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 66% | 0.658 | 80% | 0.796 | S | S | * | * | trans | 61.2 | 97.4 | 150.4 | -66.4 | -23.1 | 0 | 0 | 0 | 124.1 | I390 | D388-I390 PolarHBondContact O-N 3.03Š| ||
| 389 | P | 37.1 | Very low | 39.2 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -95.5 | 49.1 | 163.3 | 38.9 | -34.5 | 0 | 0 | 0 | 113.8 | ||
| 390 | I | 41.1 | Very low | 39.9 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | -115.5 | -18.7 | -177.3 | -64.1 | -177.8 | 0 | 0 | 0 | 114.6 | D388 R392 | D388-I390 PolarHBondContact O-N 3.03Å; I390-R392 PolarHBondContact O-N 3.2Å | ||
| 391 | S | 41.7 | Very low | 40.8 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.6 | -170.1 | 66.5 | 0 | 0 | 0 | 0 | 117.1 | R393 | S391-R393 PolarHBondContact O-N 3.14Š|
| 392 | R | 41.8 | Very low | 41.2 | Very low | 248 Ų | 248 | 157 Ų | 157 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 20.4 | -173.8 | -63.8 | -161.6 | -175.9 | -152.7 | 3.6 | 115.9 | I390 G394 | I390-R392 PolarHBondContact O-N 3.2Å; R392-G394 PolarHBondContact O-N 3.41Å |
| 393 | R | 39.1 | Very low | 41.8 | Very low | 249 Ų | 249 | 155.4 Ų | 155.4 | 94% | 0.94 | 75% | 0.754 | S | S | * | * | trans | -94 | 76.1 | 164 | -80.1 | -169 | 177.6 | -166.6 | 2.3 | 110.9 | S391 | S391-R393 PolarHBondContact O-N 3.14Š| ||
| 394 | G | 33.6 | Very low | 42.3 | Very low | 64 Ų | 64 | 150.5 Ų | 150.5 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -173.4 | 130.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R392 | R392-G394 PolarHBondContact O-N 3.41Š|
| 395 | R | 38.6 | Very low | 42.7 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | 61.4 | 70.5 | 155.5 | -162.3 | 178.2 | -77.7 | -120.5 | -0.7 | 117 | H397 | R395-H397 VanDerWaalsContact CG-CD2 3.41Å; R395-H397 WeakPolarHBondContact CG-CD2 3.45Å; R395-H397 PolarHBondContact NH1-NE2 2.79Å; R395-H397 PolarHBondContact O-N 3.2Å | ||
| 396 | R | 38.7 | Very low | 43.1 | Very low | 226 Ų | 226 | 155.2 Ų | 155.2 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -79 | 95.8 | 146 | -67.8 | -168.1 | -158.8 | -149.4 | 5.1 | 108.5 | ||||
| 397 | H | 43.8 | Very low | 44.1 | Very low | 142 Ų | 142 | 153.4 Ų | 153.4 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -81 | 128.4 | 159.5 | -79.9 | -46.7 | 0 | 0 | 0 | 108 | R395 H399 | R395-H397 VanDerWaalsContact CG-CD2 3.41Å; R395-H397 WeakPolarHBondContact CG-CD2 3.45Å; R395-H397 PolarHBondContact NH1-NE2 2.79Å; R395-H397 PolarHBondContact O-N 3.2Å; H397-H399 PolarHBondContact O-N 3.01Å | ||
| 398 | Y | 42.7 | Very low | 44.5 | Very low | 213 Ų | 213 | 152.5 Ų | 152.5 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -78.8 | 105.4 | 178.7 | -71.2 | -94.7 | 0 | 0 | 0 | 109.2 | ||||
| 399 | H | 42.2 | Very low | 45 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -74.2 | 127.9 | 160.7 | -132.3 | -66.6 | 0 | 0 | 0 | 107.5 | H397 D401 | H397-H399 PolarHBondContact O-N 3.01Å; H399-D401 VanDerWaalsContact C-N 3.29Å; H399-D401 IonicContact CE1-OD2 3.4Å; H399-D401 PolarHBondContact CE1-OD2 2.76Å; H399-D401 IonicContact CG-OD2 3.9Å; H399-D401 IonicContact ND1-OD2 2.73Å; H399-D401 PolarHBondContact ND1-OD2 2.64Å; H399-D401 PolarHBondContact O-N 2.86Å | ||
| 400 | A | 52.1 | Low | 46.3 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -86.3 | 0.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 401 | D | 56.3 | Low | 46.9 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -116.4 | -4.3 | -149.8 | -43.7 | -65.9 | 0 | 0 | 0 | 113.6 | H399 | H399-D401 VanDerWaalsContact C-N 3.29Å; H399-D401 IonicContact CE1-OD2 3.4Å; H399-D401 PolarHBondContact CE1-OD2 2.76Å; H399-D401 IonicContact CG-OD2 3.9Å; H399-D401 IonicContact ND1-OD2 2.73Å; H399-D401 PolarHBondContact ND1-OD2 2.64Å; H399-D401 PolarHBondContact O-N 2.86Å |
| 402 | E | 46.1 | Very low | 47.8 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -105.4 | 11.7 | -176 | -136.3 | 173.7 | -146 | 0 | 0 | 113.6 | G404 | E402-G404 PolarHBondContact O-N 3.49Š| ||
| 403 | I | 50.7 | Low | 48.3 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 43% | 0.426 | 64% | 0.643 | S | S | . | * | trans | -76.7 | 91.4 | 176.3 | -56.1 | 178.2 | 0 | 0 | 0 | 109.1 | E407 | I403-E407 HydrophobicContact CG2-CB 3.6Š| ||
| 404 | G | 45.9 | Very low | 49.1 | Very low | 45 Ų | 45 | 135 Ų | 135 | 46% | 0.464 | 63% | 0.626 | S | S | . | * | trans | -53 | 151.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E402 Y406 E407 | E402-G404 PolarHBondContact O-N 3.49Å; G404-Y406 PolarHBondContact O-N 3.43Å; G404-E407 PolarHBondContact O-N 3.12Å | ||
| 405 | Y | 46.8 | Very low | 50.1 | Low | 210 Ų | 210 | 141.7 Ų | 141.7 | 82% | 0.824 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -44.1 | -34.3 | -172 | -79.6 | -95.2 | 0 | 0 | 0 | 114.9 | ||
| 406 | Y | 47.5 | Very low | 51 | Low | 221 Ų | 221 | 140.4 Ų | 140.4 | 87% | 0.867 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -27.6 | -177.5 | -62 | -72.7 | 0 | 0 | 0 | 115.6 | G404 | G404-Y406 PolarHBondContact O-N 3.43Å |
| 407 | E | 56.1 | Low | 51.6 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 48% | 0.477 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -78.5 | -35.4 | 177.4 | -103 | -161.2 | 127.1 | 0 | 0 | 112.5 | I403 G404 E409 G410 Y411 | I403-E407 HydrophobicContact CG2-CB 3.6Å; G404-E407 PolarHBondContact O-N 3.12Å; E407-E409 VanDerWaalsContact C-N 3.31Å; E407-E409 PolarHBondContact O-N 3.32Å; E407-G410 WeakPolarHBondContact O-CA 3.49Å; E407-G410 PolarHBondContact O-N 3.25Å; E407-Y411 HydrophobicContact CB-CE2 4.49Å; E407-Y411 VanDerWaalsContact O-CD2 3.23Å; E407-Y411 WeakPolarHBondContact O-CD2 3.32Å; E407-Y411 PolarHBondContact O-N 2.98Å; E407-Y411 VanDerWaalsContact O-N 3.13Å |
| 408 | R | 51 | Low | 52.1 | Low | 140 Ų | 140 | 135.6 Ų | 135.6 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.8 | -39.8 | -177.7 | -171 | 170.6 | -70.9 | -115.9 | 0.7 | 112 | R412 | R408-R412 PolarHBondContact O-N 3.26Å |
| 409 | E | 52.9 | Low | 52.7 | Low | 98 Ų | 98 | 128.5 Ų | 128.5 | 46% | 0.458 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.7 | -31.2 | 174.6 | -114.3 | 45.3 | -114 | 0 | 0 | 113.1 | E407 R412 S413 | E407-E409 VanDerWaalsContact C-N 3.31Å; E407-E409 PolarHBondContact O-N 3.32Å; E409-R412 PolarHBondContact O-N 2.93Å; E409-R412 WeakPolarHBondContact OE1-CD 3.49Å; E409-S413 VanDerWaalsContact O-CB 3.26Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-OG 3.04Å |
| 410 | G | 63.9 | Low | 53.1 | Low | 29 Ų | 29 | 123.1 Ų | 123.1 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E407 R414 | E407-G410 WeakPolarHBondContact O-CA 3.49Å; E407-G410 PolarHBondContact O-N 3.25Å; G410-R414 WeakPolarHBondContact O-CB 2.93Å; G410-R414 VanDerWaalsContact O-CG 3.28Å; G410-R414 WeakPolarHBondContact O-CG 3.46Å; G410-R414 PolarHBondContact O-N 3.16Å |
| 411 | Y | 54.6 | Low | 53.2 | Low | 138 Ų | 138 | 122.9 Ų | 122.9 | 54% | 0.541 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.6 | -38.8 | 176.2 | -73.6 | -76.2 | 0 | 0 | 0 | 112.6 | E407 R415 | E407-Y411 HydrophobicContact CB-CE2 4.49Å; E407-Y411 VanDerWaalsContact O-CD2 3.23Å; E407-Y411 WeakPolarHBondContact O-CD2 3.32Å; E407-Y411 PolarHBondContact O-N 2.98Å; E407-Y411 VanDerWaalsContact O-N 3.13Å; Y411-R415 PolarHBondContact O-N 3.26Å |
| 412 | R | 59.1 | Low | 53.2 | Low | 150 Ų | 150 | 126.1 Ų | 126.1 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.1 | -48.3 | 174.1 | -78.8 | 179.9 | 161.7 | 147 | -4.9 | 112.1 | R408 E409 R414 R415 R416 | R408-R412 PolarHBondContact O-N 3.26Å; E409-R412 PolarHBondContact O-N 2.93Å; E409-R412 WeakPolarHBondContact OE1-CD 3.49Å; R412-R414 PolarHBondContact O-N 2.91Å; R412-R415 PolarHBondContact O-N 3.43Å; R412-R416 PolarHBondContact O-N 3.44Å |
| 413 | S | 52.2 | Low | 53.6 | Low | 66 Ų | 66 | 122.9 Ų | 122.9 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.5 | -43.8 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | E409 R415 R416 S417 | E409-S413 VanDerWaalsContact O-CB 3.26Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-OG 3.04Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.13Å; S413-R416 PolarHBondContact O-N 2.97Å; S413-S417 PolarHBondContact O-N 2.87Å; S413-S417 PolarHBondContact O-OG 2.83Å |
| 414 | R | 55.8 | Low | 53.9 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.6 | -29.7 | 176.8 | -75 | 174.1 | -171.9 | 166.9 | 5.8 | 113.8 | G410 R412 R418 | G410-R414 WeakPolarHBondContact O-CB 2.93Å; G410-R414 VanDerWaalsContact O-CG 3.28Å; G410-R414 WeakPolarHBondContact O-CG 3.46Å; G410-R414 PolarHBondContact O-N 3.16Å; R412-R414 PolarHBondContact O-N 2.91Å; R414-R418 WeakPolarHBondContact O-CB 3.46Å; R414-R418 WeakPolarHBondContact O-CG 3.49Å; R414-R418 PolarHBondContact O-N 3.42Å |
| 415 | R | 56.2 | Low | 54.2 | Low | 203 Ų | 203 | 132.5 Ų | 132.5 | 77% | 0.766 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.2 | -46.7 | 170.3 | -81.3 | -166.9 | 175 | -129.2 | 3.2 | 111.3 | Y411 R412 S413 S417 R418 S419 | Y411-R415 PolarHBondContact O-N 3.26Å; R412-R415 PolarHBondContact O-N 3.43Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.13Å; R415-S417 PolarHBondContact O-N 3.35Å; R415-R418 PolarHBondContact O-N 3.43Å; R415-R418 VanDerWaalsContact O-N 3.11Å; R415-S419 PolarHBondContact O-N 3.23Å; R415-S419 PolarHBondContact O-OG 3.01Å |
| 416 | R | 57 | Low | 54.7 | Low | 185 Ų | 185 | 128.6 Ų | 128.6 | 70% | 0.698 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.1 | -42.2 | -178.1 | -138.6 | 168.7 | -168.1 | 144 | 4.6 | 112.5 | R412 S413 R418 S419 S420 | R412-R416 PolarHBondContact O-N 3.44Å; S413-R416 PolarHBondContact O-N 2.97Å; R416-R418 PolarHBondContact O-N 3.29Å; R416-S419 PolarHBondContact O-N 2.9Å; R416-S420 PolarHBondContact O-N 2.98Å |
| 417 | S | 50.3 | Low | 55 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 57% | 0.573 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -32.7 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | S413 R415 S421 | S413-S417 PolarHBondContact O-N 2.87Å; S413-S417 PolarHBondContact O-OG 2.83Å; R415-S417 PolarHBondContact O-N 3.35Å; S417-S421 WeakPolarHBondContact O-CB 3Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 VanDerWaalsContact O-N 3.13Å |
| 418 | R | 54.7 | Low | 54.7 | Low | 185 Ų | 185 | 124.6 Ų | 124.6 | 70% | 0.698 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.9 | -36.1 | 174.9 | -81.5 | -179.8 | 162.5 | 120.9 | -4.4 | 112.5 | R414 R415 R416 R422 | R414-R418 WeakPolarHBondContact O-CB 3.46Å; R414-R418 WeakPolarHBondContact O-CG 3.49Å; R414-R418 PolarHBondContact O-N 3.42Å; R415-R418 PolarHBondContact O-N 3.43Å; R415-R418 VanDerWaalsContact O-N 3.11Å; R416-R418 PolarHBondContact O-N 3.29Å; R418-R422 PolarHBondContact O-N 2.87Å |
| 419 | S | 54.7 | Low | 54.8 | Low | 63 Ų | 63 | 125.1 Ų | 125.1 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.4 | -51.9 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | R415 R416 S421 R422 E423 | R415-S419 PolarHBondContact O-N 3.23Å; R415-S419 PolarHBondContact O-OG 3.01Å; R416-S419 PolarHBondContact O-N 2.9Å; S419-S421 VanDerWaalsContact C-N 3.26Å; S419-S421 PolarHBondContact O-N 3.29Å; S419-R422 WeakPolarHBondContact O-CA 3.45Å; S419-R422 WeakPolarHBondContact O-CB 3.45Å; S419-R422 PolarHBondContact O-N 3Å; S419-E423 PolarHBondContact O-N 3.1Å |
| 420 | S | 51.6 | Low | 54.7 | Low | 51 Ų | 51 | 129.3 Ų | 129.3 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.4 | -35.9 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | R416 R424 | R416-S420 PolarHBondContact O-N 2.98Å; S420-R424 WeakPolarHBondContact O-CB 3.35Å; S420-R424 PolarHBondContact O-N 3.47Å |
| 421 | S | 53 | Low | 54.2 | Low | 63 Ų | 63 | 137.6 Ų | 137.6 | 44% | 0.441 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -43.9 | 173.5 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | S417 S419 E423 R424 Y425 | S417-S421 WeakPolarHBondContact O-CB 3Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 VanDerWaalsContact O-N 3.13Å; S419-S421 VanDerWaalsContact C-N 3.26Å; S419-S421 PolarHBondContact O-N 3.29Å; S421-E423 PolarHBondContact O-N 2.92Å; S421-R424 PolarHBondContact O-N 3.06Å; S421-Y425 WeakPolarHBondContact O-CD2 3.33Å; S421-Y425 PolarHBondContact O-N 3.29Å |
| 422 | R | 57.2 | Low | 54 | Low | 192 Ų | 192 | 137.6 Ų | 137.6 | 73% | 0.725 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.6 | -45.3 | 174.6 | -86.1 | -178.6 | 166.7 | 174.8 | -4.7 | 112 | R418 S419 R424 Y425 H426 | R418-R422 PolarHBondContact O-N 2.87Å; S419-R422 WeakPolarHBondContact O-CA 3.45Å; S419-R422 WeakPolarHBondContact O-CB 3.45Å; S419-R422 PolarHBondContact O-N 3Å; R422-R424 PolarHBondContact O-N 2.81Å; R422-Y425 PolarHBondContact O-N 3.17Å; R422-H426 PolarHBondContact O-N 3.36Å; R422-H426 VanDerWaalsContact O-N 3.08Å; R422-H426 PolarHBondContact O-ND1 3.19Å |
| 423 | E | 55.1 | Low | 53.5 | Low | 119 Ų | 119 | 139.9 Ų | 139.9 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -41.4 | 178.2 | -73.8 | 159.7 | 159.9 | 0 | 0 | 112.1 | S419 S421 Y425 H426 S427 | S419-E423 PolarHBondContact O-N 3.1Å; S421-E423 PolarHBondContact O-N 2.92Å; E423-Y425 VanDerWaalsContact C-N 3.27Å; E423-Y425 PolarHBondContact O-N 3.44Å; E423-H426 PolarHBondContact O-N 3.26Å; E423-H426 VanDerWaalsContact O-N 3.1Å; E423-S427 WeakPolarHBondContact O-CB 3.19Å; E423-S427 PolarHBondContact O-N 3.28Å; E423-S427 PolarHBondContact O-OG 2.89Å |
| 424 | R | 56.3 | Low | 53.4 | Low | 166 Ų | 166 | 141.8 Ų | 141.8 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.8 | -32.5 | 178.4 | -158.1 | 176.5 | -67.2 | -174.5 | -2.4 | 112.5 | S420 S421 R422 | S420-R424 WeakPolarHBondContact O-CB 3.35Å; S420-R424 PolarHBondContact O-N 3.47Å; S421-R424 PolarHBondContact O-N 3.06Å; R422-R424 PolarHBondContact O-N 2.81Å |
| 425 | Y | 52.9 | Low | 53.1 | Low | 164 Ų | 164 | 137.7 Ų | 137.7 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.3 | -41.9 | 170.3 | -88 | -80.5 | 0 | 0 | 0 | 113.1 | S421 R422 E423 R428 H429 | S421-Y425 WeakPolarHBondContact O-CD2 3.33Å; S421-Y425 PolarHBondContact O-N 3.29Å; R422-Y425 PolarHBondContact O-N 3.17Å; E423-Y425 VanDerWaalsContact C-N 3.27Å; E423-Y425 PolarHBondContact O-N 3.44Å; Y425-R428 PolarHBondContact O-N 3.5Å; Y425-H429 PolarHBondContact O-N 2.99Å |
| 426 | H | 57 | Low | 52.9 | Low | 128 Ų | 128 | 132 Ų | 132 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.6 | -37.3 | -179.2 | -73.3 | 61.1 | 0 | 0 | 0 | 112.2 | R422 E423 H429 R430 | R422-H426 PolarHBondContact O-N 3.36Å; R422-H426 VanDerWaalsContact O-N 3.08Å; R422-H426 PolarHBondContact O-ND1 3.19Å; E423-H426 PolarHBondContact O-N 3.26Å; E423-H426 VanDerWaalsContact O-N 3.1Å; H426-H429 PolarHBondContact O-N 3.26Å; H426-R430 PolarHBondContact O-N 2.72Å |
| 427 | S | 52.5 | Low | 52.6 | Low | 66 Ų | 66 | 132.9 Ų | 132.9 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.9 | -39 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 113 | E423 H429 R430 R431 | E423-S427 WeakPolarHBondContact O-CB 3.19Å; E423-S427 PolarHBondContact O-N 3.28Å; E423-S427 PolarHBondContact O-OG 2.89Å; S427-H429 VanDerWaalsContact C-N 3.34Å; S427-R430 PolarHBondContact O-N 2.8Å; S427-R431 PolarHBondContact O-N 2.73Å |
| 428 | R | 51.7 | Low | 52.6 | Low | 173 Ų | 173 | 132.7 Ų | 132.7 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 174.1 | -77.1 | -179.4 | 171.8 | 176.3 | -3.7 | 111.9 | Y425 R430 R431 H432 | Y425-R428 PolarHBondContact O-N 3.5Å; R428-R430 PolarHBondContact O-N 3.06Å; R428-R431 PolarHBondContact O-N 2.93Å; R428-H432 PolarHBondContact O-CD2 2.77Å |
| 429 | H | 51.2 | Low | 52.4 | Low | 150 Ų | 150 | 126.5 Ų | 126.5 | 69% | 0.694 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.7 | -24.6 | -178.8 | -116 | -62.9 | 0 | 0 | 0 | 114.9 | Y425 H426 S427 | Y425-H429 PolarHBondContact O-N 2.99Å; H426-H429 PolarHBondContact O-N 3.26Å; S427-H429 VanDerWaalsContact C-N 3.34Å |
| 430 | R | 52.8 | Low | 52.2 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.9 | -46.7 | 172.2 | -70.2 | -172.9 | -176.8 | 170.7 | 2.5 | 112 | H426 S427 R428 H432 R433 D434 | H426-R430 PolarHBondContact O-N 2.72Å; S427-R430 PolarHBondContact O-N 2.8Å; R428-R430 PolarHBondContact O-N 3.06Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 3.09Å; R430-H432 VanDerWaalsContact O-N 3.16Å; R430-R433 PolarHBondContact O-N 3.13Å; R430-D434 PolarHBondContact O-N 3.06Å |
| 431 | R | 51.8 | Low | 52.1 | Low | 202 Ų | 202 | 137.1 Ų | 137.1 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56 | -36 | -176.7 | -68 | -175.8 | -173.5 | -166.5 | 0.8 | 113.7 | S427 R428 S435 | S427-R431 PolarHBondContact O-N 2.73Å; R428-R431 PolarHBondContact O-N 2.93Å; R431-S435 PolarHBondContact O-OG 3.16Å |
| 432 | H | 50.9 | Low | 51.8 | Low | 138 Ų | 138 | 143.5 Ų | 143.5 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.9 | -17.7 | 175.9 | -72 | -72.2 | 0 | 0 | 0 | 115 | R428 R430 S435 S436 | R428-H432 PolarHBondContact O-CD2 2.77Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 3.09Å; R430-H432 VanDerWaalsContact O-N 3.16Å; H432-S435 PolarHBondContact O-OG 3.16Å; H432-S436 PolarHBondContact O-OG 3.04Å |
| 433 | R | 49.3 | Very low | 51.6 | Low | 199 Ų | 199 | 142.4 Ų | 142.4 | 75% | 0.751 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -86.1 | -33.4 | -179.2 | -141.5 | 177.6 | -166.9 | -175.4 | 4.2 | 112.2 | R430 R437 | R430-R433 PolarHBondContact O-N 3.13Å; R433-R437 PolarHBondContact O-N 3.45Å |
| 434 | D | 49.8 | Very low | 51.2 | Low | 105 Ų | 105 | 144.7 Ų | 144.7 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.9 | -35.7 | 178.3 | -66.4 | -41.4 | 0 | 0 | 0 | 112.6 | R430 S436 R437 S438 | R430-D434 PolarHBondContact O-N 3.06Å; D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.01Å; D434-R437 PolarHBondContact O-N 3.39Å; D434-S438 PolarHBondContact O-N 2.93Å |
| 435 | S | 49.4 | Very low | 50.9 | Low | 71 Ų | 71 | 147.2 Ų | 147.2 | 50% | 0.497 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.4 | -36.2 | 171.3 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | R431 H432 R437 G439 | R431-S435 PolarHBondContact O-OG 3.16Å; H432-S435 PolarHBondContact O-OG 3.16Å; S435-R437 VanDerWaalsContact C-N 3.27Å; S435-R437 PolarHBondContact O-N 2.91Å; S435-G439 PolarHBondContact O-N 2.75Å |
| 436 | S | 51 | Low | 50.7 | Low | 82 Ų | 82 | 151.4 Ų | 151.4 | 57% | 0.573 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.6 | -15.4 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | H432 D434 | H432-S436 PolarHBondContact O-OG 3.04Å; D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.01Å |
| 437 | R | 50.6 | Low | 49.9 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -96.4 | -37.1 | 176.4 | -108.8 | 177.6 | 173 | -178.3 | -4.2 | 112.6 | R433 D434 S435 G439 R440 | R433-R437 PolarHBondContact O-N 3.45Å; D434-R437 PolarHBondContact O-N 3.39Å; S435-R437 VanDerWaalsContact C-N 3.27Å; S435-R437 PolarHBondContact O-N 2.91Å; R437-G439 VanDerWaalsContact C-N 3.31Å; R437-G439 PolarHBondContact O-N 3.27Å; R437-R440 PolarHBondContact O-N 2.87Å |
| 438 | S | 51.7 | Low | 49.4 | Very low | 77 Ų | 77 | 151.8 Ų | 151.8 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -59.8 | -38.1 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | D434 R440 | D434-S438 PolarHBondContact O-N 2.93Å; S438-R440 VanDerWaalsContact C-N 3.31Å; S438-R440 PolarHBondContact O-N 3.32Å |
| 439 | G | 50.5 | Low | 48.8 | Very low | 55 Ų | 55 | 147.6 Ų | 147.6 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -16.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S435 R437 | S435-G439 PolarHBondContact O-N 2.75Å; R437-G439 VanDerWaalsContact C-N 3.31Å; R437-G439 PolarHBondContact O-N 3.27Å |
| 440 | R | 50.3 | Low | 48.4 | Very low | 202 Ų | 202 | 150 Ų | 150 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -11.7 | -175.6 | -77 | -173.9 | 178.1 | 167.2 | 1.6 | 115.2 | R437 S438 | R437-R440 PolarHBondContact O-N 2.87Å; S438-R440 VanDerWaalsContact C-N 3.31Å; S438-R440 PolarHBondContact O-N 3.32Å |
| 441 | E | 48.3 | Very low | 48.1 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -84.2 | -14.1 | -177.9 | -155.9 | 170 | 161.1 | 0 | 0 | 113.3 | ||
| 442 | Y | 48 | Very low | 47.5 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -83.3 | -18.1 | -176.4 | -74.1 | -80.6 | 0 | 0 | 0 | 115.3 | ||
| 443 | E | 51.9 | Low | 47.2 | Very low | 169 Ų | 169 | 147 Ų | 147 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -88.5 | -21.5 | 177.4 | -67.6 | -163.3 | 134.7 | 0 | 0 | 113.9 | R445 | E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.37Å |
| 444 | H | 48 | Very low | 46.9 | Very low | 167 Ų | 167 | 148 Ų | 148 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 3.9 | -174.9 | -75.9 | -60.3 | 0 | 0 | 0 | 115.7 | ||
| 445 | R | 49.5 | Very low | 46.5 | Very low | 218 Ų | 218 | 147.2 Ų | 147.2 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 3.3 | 177.4 | -70.3 | -165.3 | -174.7 | -168.8 | 5 | 115.7 | E443 | E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.37Å |
| 446 | R | 48.6 | Very low | 46.2 | Very low | 252 Ų | 252 | 153.3 Ų | 153.3 | 95% | 0.951 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -99.1 | 9.4 | 180 | -122.5 | -177.4 | -168.4 | -132.8 | 3.5 | 115.5 | ||
| 447 | G | 39.7 | Very low | 46 | Very low | 53 Ų | 53 | 155.5 Ų | 155.5 | 55% | 0.546 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -124.9 | 145.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 448 | T | 43.1 | Very low | 45.7 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 91% | 0.914 | 72% | 0.722 | S | S | * | * | trans | 91.9 | 123 | 172.6 | -34.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 449 | S | 38.1 | Very low | 45.5 | Very low | 85 Ų | 85 | 155.2 Ų | 155.2 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | 90.6 | 80.6 | 157.7 | -146.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 450 | H | 42.5 | Very low | 45.2 | Very low | 201 Ų | 201 | 163 Ų | 163 | 93% | 0.931 | 74% | 0.741 | S | S | * | * | trans | -125.4 | 98.6 | 132.6 | -85.2 | -71.7 | 0 | 0 | 0 | 109.3 | ||||
| 451 | H | 47.3 | Very low | 45 | Very low | 164 Ų | 164 | 159 Ų | 159 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -89.4 | 142.6 | 172.8 | -81 | 24.7 | 0 | 0 | 0 | 111.4 | ||||
| 452 | S | 39.5 | Very low | 44.8 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 1.6 | 143 | 161.1 | 69.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 453 | R | 44.4 | Very low | 44.5 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | -176.8 | 121 | 108.3 | -98.5 | 161.4 | -171.6 | -158.6 | 3.5 | 113.5 | |||||
| 454 | R | 42.6 | Very low | 44.2 | Very low | 219 Ų | 219 | 148.7 Ų | 148.7 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 67.3 | 151.1 | 140.7 | -56.3 | 170 | -177.6 | -157.6 | -3.3 | 115.4 | ||||
| 455 | S | 40.9 | Very low | 44.2 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | cis | -158.8 | 149.2 | 16.9 | -148 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 456 | R | 43.1 | Very low | 43.9 | Very low | 198 Ų | 198 | 141 Ų | 141 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | 42.2 | 150 | 131.2 | -66 | 178.2 | 135.4 | 150.8 | -3 | 120.5 | ||||
| 457 | E | 48.2 | Very low | 43.9 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | cis | -171.9 | 155.4 | -1.3 | -108.9 | 153.3 | -177.8 | 0 | 0 | 104.2 | ||||
| 458 | D | 44.6 | Very low | 44.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 56% | 0.556 | 76% | 0.758 | S | S | * | * | cis | -157.7 | -176.2 | 7.2 | -144.5 | -17.4 | 0 | 0 | 0 | 113.4 | ||||
| 459 | R | 46.9 | Very low | 44.6 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -28.1 | 147.5 | 160.6 | -64.5 | 161.8 | -90.4 | -175.2 | -2.9 | 116.7 | ||||
| 460 | Y | 44.1 | Very low | 45.2 | Very low | 218 Ų | 218 | 143.3 Ų | 143.3 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | -165.5 | 166.7 | 70.8 | -112.5 | -88.3 | 0 | 0 | 0 | 114 | |||||
| 461 | S | 45.7 | Very low | 45.2 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -115.9 | 146.8 | -177.9 | 178 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | G | 45.2 | Very low | 45 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 136.5 | 131.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 463 | G | 40.6 | Very low | 45.6 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 97.6 | 136.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 464 | V | 46.5 | Very low | 45.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | cis | 168.8 | 113.8 | -25.9 | 140.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 465 | V | 47.9 | Very low | 45.9 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | 40.4 | 141 | 162.5 | -77.3 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 466 | G | 43.6 | Very low | 46.4 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 106.5 | 142 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 467 | A | 47.8 | Very low | 46.5 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -166.4 | 156.6 | -16.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 468 | E | 49.8 | Very low | 46.8 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 53 | 155 | 147.8 | -72.7 | 159.8 | -147.7 | 0 | 0 | 121.3 | ||||
| 469 | E | 47.5 | Very low | 46.6 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -163.7 | 175.1 | -29.4 | -147.9 | -169.5 | 177.5 | 0 | 0 | 108.3 | ||||
| 470 | H | 51.3 | Low | 46.9 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | 68.9 | 154.8 | 172.1 | -35.5 | -53.4 | 0 | 0 | 0 | 117.3 | ||||
| 471 | G | 42.3 | Very low | 46.9 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -177.9 | 147.7 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | S | 42.5 | Very low | 46.7 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -72.4 | 163.1 | -170.1 | -44.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 473 | T | 51.9 | Low | 46.6 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 161 | 141.2 | 115.8 | -64.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 474 | E | 46.4 | Very low | 46.8 | Very low | 188 Ų | 188 | 125.1 Ų | 125.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 69.9 | 149 | 158.9 | -81.1 | 168.4 | 154.6 | 0 | 0 | 125 | ||||
| 475 | A | 47.9 | Very low | 46.6 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -117.8 | -167 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 476 | P | 51.6 | Low | 46.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | cis | -139.6 | -173.1 | 4.7 | 40.9 | -19.1 | 0 | 0 | 0 | 117 | ||||
| 477 | S | 44.5 | Very low | 46.6 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -44.8 | 169.7 | 170.7 | -50.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 478 | P | 53.8 | Low | 46.3 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -147.6 | 178.6 | 26.1 | 42.1 | -19.7 | 0 | 0 | 0 | 120.6 | ||||
| 479 | N | 42 | Very low | 45.9 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -48.5 | 164.9 | 167.8 | -71.4 | -27.8 | 0 | 0 | 0 | 115.3 | ||||
| 480 | P | 52.4 | Low | 45.5 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -159.1 | 179.5 | 46 | 45 | -22.7 | 0 | 0 | 0 | 121.9 | ||||
| 481 | S | 43.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 81.4 | 138.6 | 149.5 | 76.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 482 | G | 41.5 | Very low | 45.1 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 137.6 | 82.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 483 | S | 44.5 | Very low | 45.2 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 78.7 | 90.7 | 90.5 | 176 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 484 | H | 44.3 | Very low | 44.9 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | 69 | 129.6 | 133.4 | -64.5 | -60.2 | 0 | 0 | 0 | 124 | ||||
| 485 | R | 42.8 | Very low | 44.6 | Very low | 225 Ų | 225 | 145.7 Ų | 145.7 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | 99.9 | 113.9 | 138.6 | -76.6 | 163.3 | -172.3 | -140 | 2 | 121 | ||||
| 486 | S | 43.5 | Very low | 44.5 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | 95.4 | 126.3 | 129.9 | -64.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 487 | S | 48 | Very low | 44 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | 65.9 | 139.3 | 163.7 | 73.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 488 | G | 41 | Very low | 44.1 | Very low | 66 Ų | 66 | 150.2 Ų | 150.2 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 165.6 | 144 | -10.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 489 | R | 41.2 | Very low | 43.6 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | 63.1 | 116.6 | 164.7 | -48.6 | 178.9 | 178.9 | -161.1 | -0.9 | 117.3 | ||||
| 490 | R | 38.7 | Very low | 43.9 | Very low | 250 Ų | 250 | 152.6 Ų | 152.6 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | 160 | 100.6 | 114.9 | -83.7 | 161.7 | -165.4 | -136.3 | 6 | 111.7 | |||||
| 491 | S | 42.8 | Very low | 43.9 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -138.7 | 167.2 | 151.6 | 58.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 492 | D | 43.5 | Very low | 44.2 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 65.8 | 165.1 | -44 | -46.8 | 0 | 0 | 0 | 117.4 | ||||
| 493 | R | 44.5 | Very low | 44.5 | Very low | 231 Ų | 231 | 155.6 Ų | 155.6 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -126 | 141 | 143.4 | -73.6 | -174.6 | -177.5 | 176.8 | -1.5 | 105.6 | ||||
| 494 | D | 44.7 | Very low | 44.8 | Very low | 151 Ų | 151 | 160.6 Ų | 160.6 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | cis | -142.7 | 159.8 | 29.4 | -82.1 | -65.7 | 0 | 0 | 0 | 114.3 | ||||
| 495 | R | 40.3 | Very low | 45.2 | Very low | 235 Ų | 235 | 156.3 Ų | 156.3 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -76.5 | 163.5 | 170.6 | -71.4 | 174.6 | 169.4 | 167.9 | -4.5 | 111.5 | ||||
| 496 | P | 45.6 | Very low | 45.6 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | -131.5 | 127.4 | 113.6 | 34.7 | -27.1 | 0 | 0 | 0 | 113.2 | |||||
| 497 | G | 40.8 | Very low | 46 | Very low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -92.3 | 117.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 498 | R | 47.5 | Very low | 46.2 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | trans | -165.7 | 140.5 | 166.8 | -87.9 | -172.5 | -170.9 | -156.3 | -0.6 | 105.9 | ||||
| 499 | D | 42.5 | Very low | 46.5 | Very low | 69 Ų | 69 | 157.5 Ų | 157.5 | 37% | 0.369 | 72% | 0.72 | S | S | . | * | cis | -143.4 | 96.7 | -2.4 | -81 | -58.6 | 0 | 0 | 0 | 107.8 | S501 R502 | D499-S501 PolarHBondContact O-N 3.32Å; D499-R502 HydrophobicContact CB-CG 4.29Å; D499-R502 IonicContact OD2-CZ 2.66Å; D499-R502 IonicContact OD2-NH1 3.27Å; D499-R502 PolarHBondContact OD2-NH1 2.93Å; D499-R502 IonicContact OD2-NH2 3.54Å; D499-R502 PolarHBondContact OD2-NH2 2.98Å; D499-R502 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 500 | R | 49.8 | Very low | 47 | Very low | 259 Ų | 259 | 156.6 Ų | 156.6 | 98% | 0.977 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 8.1 | 174.5 | -81.1 | -174.2 | 176.4 | 157.8 | -0.8 | 114.1 | ||
| 501 | S | 50.5 | Low | 47.7 | Very low | 81 Ų | 81 | 148 Ų | 148 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -26.2 | 179.3 | -39 | 0 | 0 | 0 | 0 | 113.4 | D499 E503 R504 | D499-S501 PolarHBondContact O-N 3.32Å; S501-E503 VanDerWaalsContact C-N 3.34Å; S501-E503 PolarHBondContact O-N 2.97Å; S501-R504 PolarHBondContact O-N 3.16Å |
| 502 | R | 50 | Low | 48.1 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74 | -15 | -166.4 | -75.5 | -170.6 | 179.2 | 120.9 | 16.1 | 115.9 | D499 | D499-R502 HydrophobicContact CB-CG 4.29Å; D499-R502 IonicContact OD2-CZ 2.66Å; D499-R502 IonicContact OD2-NH1 3.27Å; D499-R502 PolarHBondContact OD2-NH1 2.93Å; D499-R502 IonicContact OD2-NH2 3.54Å; D499-R502 PolarHBondContact OD2-NH2 2.98Å; D499-R502 VanDerWaalsContact OD2-NH2 3.09Å |
| 503 | E | 47.6 | Very low | 48.4 | Very low | 145 Ų | 145 | 151 Ų | 151 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.9 | -34.4 | 173.6 | -125.9 | 87.9 | -105.8 | 0 | 0 | 111.6 | S501 R506 | S501-E503 VanDerWaalsContact C-N 3.34Å; S501-E503 PolarHBondContact O-N 2.97Å; E503-R506 IonicContact OE1-NH1 3.08Å |
| 504 | R | 52.1 | Low | 48.8 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75 | -28.2 | -173 | -111.5 | 179.8 | -172.8 | -168.5 | 1.9 | 114.3 | S501 | S501-R504 PolarHBondContact O-N 3.16Å |
| 505 | D | 51.9 | Low | 49.2 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 42% | 0.422 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -79.5 | -25.7 | -179 | -63.7 | -38 | 0 | 0 | 0 | 112.6 | S507 R508 | D505-S507 VanDerWaalsContact C-N 3.3Å; D505-S507 PolarHBondContact O-N 2.93Å; D505-R508 PolarHBondContact O-N 3.48Å |
| 506 | R | 51.6 | Low | 49.6 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.3 | -33 | 176.3 | -71 | -177.1 | 177.7 | 137.3 | -3.9 | 112.9 | E503 | E503-R506 IonicContact OE1-NH1 3.08Å |
| 507 | S | 51 | Low | 49.8 | Very low | 89 Ų | 89 | 146 Ų | 146 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.6 | -28 | 177 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | D505 | D505-S507 VanDerWaalsContact C-N 3.3Å; D505-S507 PolarHBondContact O-N 2.93Å |
| 508 | R | 52.5 | Low | 50.3 | Low | 161 Ų | 161 | 153.9 Ų | 153.9 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73 | -35.5 | -178.8 | -71.7 | -179.6 | 165.6 | -170.4 | -8.3 | 113.1 | D505 R510 S511 | D505-R508 PolarHBondContact O-N 3.48Å; R508-R510 PolarHBondContact O-N 3.27Å; R508-S511 PolarHBondContact O-N 2.91Å; R508-S511 PolarHBondContact O-OG 3.22Å |
| 509 | H | 47.4 | Very low | 50.4 | Low | 126 Ų | 126 | 147.7 Ų | 147.7 | 58% | 0.583 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -6.8 | 179.1 | -65.2 | -38.7 | 0 | 0 | 0 | 115.1 | E512 | H509-E512 IonicContact ND1-OE2 3.09Å; H509-E512 PolarHBondContact ND1-OE2 3.12Å |
| 510 | R | 51.6 | Low | 50.8 | Low | 221 Ų | 221 | 150.4 Ų | 150.4 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -88 | -25.7 | 171.7 | -105.6 | -177.4 | 176.2 | -178.4 | -1.7 | 113.6 | R508 | R508-R510 PolarHBondContact O-N 3.27Å |
| 511 | S | 53.2 | Low | 50.6 | Low | 69 Ų | 69 | 148.5 Ų | 148.5 | 48% | 0.483 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -77.5 | -46.7 | 175 | 38.5 | 0 | 0 | 0 | 0 | 112.4 | R508 R513 R514 | R508-S511 PolarHBondContact O-N 2.91Å; R508-S511 PolarHBondContact O-OG 3.22Å; S511-R513 PolarHBondContact O-N 2.83Å; S511-R514 PolarHBondContact O-N 2.83Å |
| 512 | E | 50.8 | Low | 50.3 | Low | 104 Ų | 104 | 150.4 Ų | 150.4 | 49% | 0.486 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.5 | -21.8 | -171.5 | -66.2 | 169.5 | 143.4 | 0 | 0 | 114.3 | H509 H516 | H509-E512 IonicContact ND1-OE2 3.09Å; H509-E512 PolarHBondContact ND1-OE2 3.12Å; E512-H516 PolarHBondContact O-ND1 3.44Å |
| 513 | R | 50.9 | Low | 50.1 | Low | 205 Ų | 205 | 147.6 Ų | 147.6 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.3 | -23.7 | 176 | -80.8 | -168.4 | 174 | -156.2 | -1.7 | 114.3 | S511 | S511-R513 PolarHBondContact O-N 2.83Å |
| 514 | R | 51.9 | Low | 50 | Low | 212 Ų | 212 | 152 Ų | 152 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -79.8 | -25.6 | 178 | -78.6 | -169.9 | 173.5 | -174.2 | -0.5 | 113.3 | S511 | S511-R514 PolarHBondContact O-N 2.83Å |
| 515 | D | 52.9 | Low | 49.8 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.6 | -22.2 | -179.3 | -62.2 | -47.4 | 0 | 0 | 0 | 113.1 | ||
| 516 | H | 49.9 | Very low | 49.6 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 64% | 0.644 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -81.3 | -14.6 | -178 | -76.3 | 76.1 | 0 | 0 | 0 | 114.7 | E512 R518 S519 | E512-H516 PolarHBondContact O-ND1 3.44Å; H516-R518 VanDerWaalsContact C-N 3.31Å; H516-S519 PolarHBondContact O-OG 3.49Å |
| 517 | E | 49.7 | Very low | 49.4 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -83.1 | -8.3 | 174.4 | -66.3 | -173.8 | 160 | 0 | 0 | 112.7 | ||
| 518 | R | 50.2 | Low | 49 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -94 | -2.5 | -175.5 | -130.2 | 173.9 | -159.2 | -93.4 | -2 | 115.4 | H516 | H516-R518 VanDerWaalsContact C-N 3.31Š|
| 519 | S | 50.8 | Low | 48.6 | Very low | 86 Ų | 86 | 159.7 Ų | 159.7 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -114.6 | -12.9 | -167.7 | 56.5 | 0 | 0 | 0 | 0 | 115.9 | H516 R521 | H516-S519 PolarHBondContact O-OG 3.49Å; S519-R521 PolarHBondContact O-N 3.3Å |
| 520 | V | 49.7 | Very low | 48.5 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -92.4 | 82.5 | 179.4 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 521 | R | 46.8 | Very low | 48.3 | Very low | 219 Ų | 219 | 154 Ų | 154 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 150.9 | 159.8 | -68.7 | 178.2 | 171.1 | -173.1 | -3.4 | 109.7 | S519 | S519-R521 PolarHBondContact O-N 3.3Š| ||
| 522 | P | 44.7 | Very low | 48 | Very low | 120 Ų | 120 | 162.4 Ų | 162.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | -109.2 | 128.2 | 117.7 | -15.1 | 31.5 | 0 | 0 | 0 | 111.2 | R524 | P522-R524 PolarHBondContact O-N 2.86Š| |||
| 523 | S | 45.2 | Very low | 47.9 | Very low | 87 Ų | 87 | 168.9 Ų | 168.9 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -68.1 | 111.6 | 169.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | Q525 | S523-Q525 VanDerWaalsContact C-N 3.33Å; S523-Q525 PolarHBondContact O-N 2.8Å | ||
| 524 | R | 45.9 | Very low | 48 | Very low | 238 Ų | 238 | 168.4 Ų | 168.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -80.2 | 87.3 | 162.2 | -81.6 | -174.1 | 168.7 | 171.8 | -3.3 | 108.9 | P522 | P522-R524 PolarHBondContact O-N 2.86Š| ||
| 525 | Q | 46.3 | Very low | 47.8 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 119.3 | 150.7 | -70.3 | 179.3 | -14 | 0 | 0 | 107.3 | S523 | S523-Q525 VanDerWaalsContact C-N 3.33Å; S523-Q525 PolarHBondContact O-N 2.8Å | ||
| 526 | S | 48.1 | Very low | 47.7 | Very low | 92 Ų | 92 | 169.7 Ų | 169.7 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -152 | 92.1 | 166.7 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 527 | D | 47.6 | Very low | 48.3 | Very low | 152 Ų | 152 | 168.4 Ų | 168.4 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 55.2 | 95.8 | 146.2 | -52.4 | -35.9 | 0 | 0 | 0 | 119.2 | R529 | D527-R529 PolarHBondContact O-N 3.07Š| ||
| 528 | H | 42.8 | Very low | 48.6 | Very low | 205 Ų | 205 | 165.1 Ų | 165.1 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | trans | -60.2 | 98 | 151.2 | -63.6 | -68.8 | 0 | 0 | 0 | 110.6 | ||||
| 529 | R | 45.2 | Very low | 49.6 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -100.1 | 107.9 | 156.3 | -92.6 | -170.9 | 169.8 | -156.2 | -2.1 | 110.1 | D527 S531 | D527-R529 PolarHBondContact O-N 3.07Å; R529-S531 PolarHBondContact O-N 2.95Å; R529-S531 VanDerWaalsContact O-N 3.14Å | ||
| 530 | S | 43.4 | Very low | 50.4 | Low | 118 Ų | 118 | 161.2 Ų | 161.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -69.8 | 102.4 | 173.3 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | R532 | S530-R532 PolarHBondContact O-N 3.16Š| ||
| 531 | S | 49.3 | Very low | 50.9 | Low | 108 Ų | 108 | 165.7 Ų | 165.7 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -82.8 | 101.2 | 157.3 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | R529 R533 | R529-S531 PolarHBondContact O-N 2.95Å; R529-S531 VanDerWaalsContact O-N 3.14Å; S531-R533 PolarHBondContact O-N 3.17Å | ||
| 532 | R | 46.9 | Very low | 51.9 | Low | 247 Ų | 247 | 160.3 Ų | 160.3 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -62.4 | 83.9 | 163.8 | -88.7 | -179.7 | 163.4 | -179.6 | -4.6 | 108.5 | S530 K534 | S530-R532 PolarHBondContact O-N 3.16Å; R532-K534 PolarHBondContact O-N 2.92Å; R532-K534 VanDerWaalsContact O-N 3.09Å | ||
| 533 | R | 47.4 | Very low | 52.6 | Low | 240 Ų | 240 | 160.1 Ų | 160.1 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -77.1 | 97.4 | 166.6 | -138.5 | 178 | -168 | -141.3 | 1.8 | 107 | S531 E535 | S531-R533 PolarHBondContact O-N 3.17Å; R533-E535 PolarHBondContact O-N 3.1Å | ||
| 534 | K | 53.4 | Low | 52.9 | Low | 194 Ų | 194 | 161.7 Ų | 161.7 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 118.4 | 179.5 | -155.9 | 176.7 | -172.5 | -177.3 | 0 | 108.9 | R532 Q536 | R532-K534 PolarHBondContact O-N 2.92Å; R532-K534 VanDerWaalsContact O-N 3.09Å; K534-Q536 PolarHBondContact O-N 3.13Å; K534-Q536 VanDerWaalsContact O-N 3.16Å |
| 535 | E | 47.5 | Very low | 53 | Low | 185 Ų | 185 | 155.5 Ų | 155.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 119.7 | 173.7 | -67.8 | -178.2 | 143.7 | 0 | 0 | 108.6 | R533 | R533-E535 PolarHBondContact O-N 3.1Š|
| 536 | Q | 51.6 | Low | 53 | Low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117.7 | 163.5 | -80.4 | -75 | -6.3 | 0 | 0 | 106.3 | K534 S538 | K534-Q536 PolarHBondContact O-N 3.13Å; K534-Q536 VanDerWaalsContact O-N 3.16Å; Q536-S538 PolarHBondContact O-N 3.25Å |
| 537 | P | 62.9 | Low | 52.8 | Low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.9 | 175.5 | 26.9 | -32.4 | 0 | 0 | 0 | 108.6 | ||
| 538 | S | 55.4 | Low | 52.7 | Low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.5 | 174.2 | -53.2 | 0 | 0 | 0 | 0 | 109.7 | Q536 | Q536-S538 PolarHBondContact O-N 3.25Š|
| 539 | P | 70 | Confident | 52.7 | Low | 116 Ų | 116 | 154.5 Ų | 154.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 143.4 | 178.4 | 25.5 | -33.9 | 0 | 0 | 0 | 110.1 | R541 | P539-R541 PolarHBondContact O-N 3.31Š|
| 540 | P | 69 | Low | 52.6 | Low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.2 | -177.4 | 25.2 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 541 | R | 59.1 | Low | 52.6 | Low | 220 Ų | 220 | 147.6 Ų | 147.6 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.1 | 173.5 | -140 | 172.5 | -169.9 | -105 | 4.5 | 108.1 | P539 | P539-R541 PolarHBondContact O-N 3.31Š|
| 542 | P | 68.2 | Low | 52.9 | Low | 106 Ų | 106 | 149.8 Ų | 149.8 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.9 | 177.7 | 25.4 | -33.9 | 0 | 0 | 0 | 110.2 | V544 | P542-V544 PolarHBondContact O-N 3.01Š|
| 543 | P | 60.4 | Low | 53.4 | Low | 116 Ų | 116 | 146.6 Ų | 146.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 126.7 | -179.7 | 25.9 | -33.7 | 0 | 0 | 0 | 109.6 | T545 | P543-T545 PolarHBondContact O-N 3.34Š|
| 544 | V | 51.1 | Low | 53.9 | Low | 121 Ų | 121 | 140.3 Ų | 140.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 102.5 | 166.8 | -88.8 | 0 | 0 | 0 | 0 | 108.2 | P542 S546 | P542-V544 PolarHBondContact O-N 3.01Å; V544-S546 PolarHBondContact O-N 3.45Å; V544-S546 VanDerWaalsContact O-N 3.16Å | ||
| 545 | T | 48.6 | Very low | 54.5 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -63.9 | 114.4 | 167.3 | 47.7 | 0 | 0 | 0 | 0 | 107.7 | P543 D547 | P543-T545 PolarHBondContact O-N 3.34Å; T545-D547 PolarHBondContact O-N 3.16Å; T545-D547 PolarHBondContact OG1-OD2 2.84Å | ||
| 546 | S | 45.2 | Very low | 55.3 | Low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -76.2 | 62.9 | 178 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | V544 K548 | V544-S546 PolarHBondContact O-N 3.45Å; V544-S546 VanDerWaalsContact O-N 3.16Å; S546-K548 VanDerWaalsContact C-N 3.29Å; S546-K548 PolarHBondContact O-N 2.88Å | ||
| 547 | D | 44 | Very low | 55.6 | Low | 130 Ų | 130 | 131.8 Ų | 131.8 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | -69.1 | 91.6 | 171.7 | -75.3 | -48.5 | 0 | 0 | 0 | 108.9 | T545 Q549 | T545-D547 PolarHBondContact O-N 3.16Å; T545-D547 PolarHBondContact OG1-OD2 2.84Å; D547-Q549 PolarHBondContact O-N 2.8Å | ||
| 548 | K | 46 | Very low | 55.5 | Low | 201 Ų | 201 | 130.4 Ų | 130.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -68.2 | 63.8 | 167.7 | -65.4 | 179.3 | 179.5 | 178.3 | 0 | 109.8 | S546 A550 | S546-K548 VanDerWaalsContact C-N 3.29Å; S546-K548 PolarHBondContact O-N 2.88Å; K548-A550 PolarHBondContact O-N 2.92Å; K548-A550 VanDerWaalsContact O-N 3.11Å | ||
| 549 | Q | 41.5 | Very low | 55.6 | Low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -66.4 | 110.3 | 159.5 | -75.8 | -167.7 | 1.2 | 0 | 0 | 107.2 | D547 T551 | D547-Q549 PolarHBondContact O-N 2.8Å; Q549-T551 PolarHBondContact O-N 2.83Å | ||
| 550 | A | 44.1 | Very low | 55 | Low | 87 Ų | 87 | 125.4 Ų | 125.4 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | trans | -62.1 | 101.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108 | K548 I552 | K548-A550 PolarHBondContact O-N 2.92Å; K548-A550 VanDerWaalsContact O-N 3.11Å; A550-I552 PolarHBondContact O-N 3.11Å | ||
| 551 | T | 43.4 | Very low | 54.6 | Low | 127 Ų | 127 | 122.4 Ų | 122.4 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | -66.2 | 89.6 | 165.1 | 42.6 | 0 | 0 | 0 | 0 | 107.4 | Q549 K553 | Q549-T551 PolarHBondContact O-N 2.83Å; T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 2.83Å | ||
| 552 | I | 55.2 | Low | 54.5 | Low | 154 Ų | 154 | 114.7 Ų | 114.7 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -58.1 | 98.7 | 167.5 | -63 | 169 | 0 | 0 | 0 | 105.5 | A550 | A550-I552 PolarHBondContact O-N 3.11Š| ||
| 553 | K | 57 | Low | 54 | Low | 181 Ų | 181 | 112.1 Ų | 112.1 | 79% | 0.787 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 123.4 | 168.5 | -69 | -177.1 | 177.3 | -176.2 | 0 | 105.6 | T551 D555 | T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 2.83Å; K553-D555 PolarHBondContact O-N 3.22Å |
| 554 | P | 58.6 | Low | 53.9 | Low | 107 Ų | 107 | 109.4 Ų | 109.4 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 126.7 | 177.6 | 25.4 | -32.8 | 0 | 0 | 0 | 108.1 | ||
| 555 | D | 65.1 | Low | 54.4 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 64% | 0.642 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.1 | 177.9 | -88.2 | -43.6 | 0 | 0 | 0 | 109.5 | K553 L557 S558 | K553-D555 PolarHBondContact O-N 3.22Å; D555-L557 PolarHBondContact O-N 2.89Å; D555-S558 PolarHBondContact O-N 3Å |
| 556 | P | 64.2 | Low | 55 | Low | 107 Ų | 107 | 107 Ų | 107 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61 | -19.8 | -176.3 | 23.3 | -33.2 | 0 | 0 | 0 | 112.8 | A560 | P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.26Å |
| 557 | L | 58.6 | Low | 55.7 | Low | 143 Ų | 143 | 107.1 Ų | 107.1 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -33.1 | 173.1 | -70.4 | 169.5 | 0 | 0 | 0 | 113.5 | D555 A561 | D555-L557 PolarHBondContact O-N 2.89Å; L557-A561 PolarHBondContact O-N 2.99Å |
| 558 | S | 60.5 | Low | 56.4 | Low | 83 Ų | 83 | 104 Ų | 104 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.3 | -40.9 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | D555 A560 A561 A562 | D555-S558 PolarHBondContact O-N 3Å; S558-A560 PolarHBondContact O-N 3.07Å; S558-A561 PolarHBondContact O-N 3.39Å; S558-A562 PolarHBondContact O-N 3.32Å |
| 559 | A | 57.6 | Low | 57 | Low | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.6 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A562 A563 | A559-A562 PolarHBondContact O-N 3.06Å; A559-A563 PolarHBondContact O-N 3.49Å; A559-A563 VanDerWaalsContact O-N 3.07Å |
| 560 | A | 56.9 | Low | 57.8 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.5 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P556 S558 A563 A564 | P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.26Å; S558-A560 PolarHBondContact O-N 3.07Å; A560-A563 PolarHBondContact O-N 3.47Å; A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 3.06Å |
| 561 | A | 60.8 | Low | 58.5 | Low | 62 Ų | 62 | 94 Ų | 94 | 51% | 0.512 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L557 S558 A564 A565 | L557-A561 PolarHBondContact O-N 2.99Å; S558-A561 PolarHBondContact O-N 3.39Å; A561-A564 PolarHBondContact O-N 3.32Å; A561-A565 PolarHBondContact O-N 3.47Å |
| 562 | A | 57.9 | Low | 59.1 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S558 A559 A565 N566 | S558-A562 PolarHBondContact O-N 3.32Å; A559-A562 PolarHBondContact O-N 3.06Å; A562-A565 PolarHBondContact O-N 3.04Å; A562-N566 PolarHBondContact O-N 3.37Å |
| 563 | A | 58 | Low | 59.1 | Low | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.2 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A559 A560 N566 I567 | A559-A563 PolarHBondContact O-N 3.49Å; A559-A563 VanDerWaalsContact O-N 3.07Å; A560-A563 PolarHBondContact O-N 3.47Å; A563-N566 PolarHBondContact O-N 3.03Å; A563-I567 PolarHBondContact O-N 3.34Å |
| 564 | A | 58 | Low | 58.9 | Low | 59 Ų | 59 | 82.4 Ų | 82.4 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A560 A561 N566 I567 A568 | A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 3.06Å; A561-A564 PolarHBondContact O-N 3.32Å; A564-N566 PolarHBondContact O-N 3.49Å; A564-I567 PolarHBondContact O-N 3.33Å; A564-A568 PolarHBondContact O-N 3.45Å |
| 565 | A | 61.1 | Low | 58.6 | Low | 56 Ų | 56 | 84.4 Ų | 84.4 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A561 A562 I567 A568 A569 | A561-A565 PolarHBondContact O-N 3.47Å; A562-A565 PolarHBondContact O-N 3.04Å; A565-I567 PolarHBondContact O-N 3.13Å; A565-A568 PolarHBondContact O-N 3.37Å; A565-A569 PolarHBondContact O-N 3.31Å |
| 566 | N | 61.7 | Low | 58 | Low | 121 Ų | 121 | 83.7 Ų | 83.7 | 65% | 0.647 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.3 | -35.7 | 177.2 | -77.2 | -25.2 | 0 | 0 | 0 | 112.8 | A562 A563 A564 A570 | A562-N566 PolarHBondContact O-N 3.37Å; A563-N566 PolarHBondContact O-N 3.03Å; A564-N566 PolarHBondContact O-N 3.49Å; N566-A570 PolarHBondContact O-N 3.49Å; N566-A570 VanDerWaalsContact O-N 3.13Å |
| 567 | I | 58.9 | Low | 57.4 | Low | 109 Ų | 109 | 84 Ų | 84 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70 | -38.8 | 175.1 | -63.8 | 169 | 0 | 0 | 0 | 110.7 | A563 A564 A565 A570 L571 | A563-I567 PolarHBondContact O-N 3.34Å; A564-I567 PolarHBondContact O-N 3.33Å; A565-I567 PolarHBondContact O-N 3.13Å; I567-A570 PolarHBondContact O-N 2.97Å; I567-L571 HydrophobicContact CG2-CD1 4.04Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 3.1Å; I567-L571 VanDerWaalsContact O-N 3.1Å |
| 568 | A | 58.4 | Low | 57 | Low | 65 Ų | 65 | 80.5 Ų | 80.5 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.5 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A564 A565 L571 G572 | A564-A568 PolarHBondContact O-N 3.45Å; A565-A568 PolarHBondContact O-N 3.37Å; A568-L571 PolarHBondContact O-N 3.38Å; A568-G572 PolarHBondContact O-N 2.96Å |
| 569 | A | 60.6 | Low | 56.1 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A565 L571 G572 A573 | A565-A569 PolarHBondContact O-N 3.31Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 PolarHBondContact O-N 3.39Å; A569-G572 PolarHBondContact O-N 3.23Å; A569-A573 PolarHBondContact O-N 3.46Å |
| 570 | A | 57.8 | Low | 55.5 | Low | 63 Ų | 63 | 88.7 Ų | 88.7 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.8 | -33.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | N566 I567 | N566-A570 PolarHBondContact O-N 3.49Å; N566-A570 VanDerWaalsContact O-N 3.13Å; I567-A570 PolarHBondContact O-N 2.97Å |
| 571 | L | 57.8 | Low | 54.8 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.9 | -23.2 | 176.9 | -68.3 | 170.9 | 0 | 0 | 0 | 113.6 | I567 A568 A569 T574 | I567-L571 HydrophobicContact CG2-CD1 4.04Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 3.1Å; I567-L571 VanDerWaalsContact O-N 3.1Å; A568-L571 PolarHBondContact O-N 3.38Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 PolarHBondContact O-N 3.39Å; L571-T574 PolarHBondContact O-OG1 3.39Å |
| 572 | G | 56.3 | Low | 54.5 | Low | 54 Ų | 54 | 97.3 Ų | 97.3 | 56% | 0.557 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.7 | -31 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A568 A569 T574 | A568-G572 PolarHBondContact O-N 2.96Å; A569-G572 PolarHBondContact O-N 3.23Å; G572-T574 VanDerWaalsContact C-N 3.33Å; G572-T574 PolarHBondContact O-N 3.4Å |
| 573 | A | 54.8 | Low | 54.3 | Low | 70 Ų | 70 | 99.4 Ų | 99.4 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -73.8 | -15.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | A569 | A569-A573 PolarHBondContact O-N 3.46Š|
| 574 | T | 53.3 | Low | 54.1 | Low | 96 Ų | 96 | 101.9 Ų | 101.9 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -88.9 | 0.4 | -173.5 | 56.7 | 0 | 0 | 0 | 0 | 115 | L571 G572 | L571-T574 PolarHBondContact O-OG1 3.39Å; G572-T574 VanDerWaalsContact C-N 3.33Å; G572-T574 PolarHBondContact O-N 3.4Å |
| 575 | N | 51.8 | Low | 53.9 | Low | 149 Ų | 149 | 104.5 Ų | 104.5 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -109 | 5.9 | -173.2 | -81.4 | -17.2 | 0 | 0 | 0 | 115.3 | ||
| 576 | S | 52.2 | Low | 53.4 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -108.5 | -5.4 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 116 | ||
| 577 | S | 52.6 | Low | 52.9 | Low | 114 Ų | 114 | 106.6 Ų | 106.6 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.6 | 75.1 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 578 | G | 49.8 | Very low | 52.4 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -177.4 | 37.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 579 | K | 42.3 | Very low | 52 | Low | 215 Ų | 215 | 109.6 Ų | 109.6 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -167.1 | 84 | 170.6 | -114.5 | 169.9 | -174 | 178.3 | 0 | 113 | ||||
| 580 | A | 44.8 | Very low | 51.3 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -163.8 | 123.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 581 | S | 41.6 | Very low | 50.7 | Low | 205 Ų | 205 | 117.8 Ų | 117.8 | 100% | 1.434 | 78% | 0.78 | S | S | * | * | trans | 67.9 | 0 | 178.5 | -117.6 | 0 | 0 | 0 | 0 | 119.2 |
Retrieved 581 of 581 residues in 107.9 ms
(Link to these results)