| 1 | M | 36.5 | Very low | 34.5 | Very low | 236 Ų | 236 | 129.9 Ų | 129.9 | 100% | 1.163 | 77% | 0.767 | S | S | * | * | | | | 0 | 126.8 | 0 | -55.6 | -172.2 | 83.7 | 0 | 0 | 107.3 | | |
| 2 | S | 34.4 | Very low | 34.4 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | cis | -155.2 | 119.4 | -11 | -74.9 | 0 | 0 | 0 | 0 | 105.4 | | |
| 3 | S | 30.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | | 58.4 | 127.5 | 77.1 | 78 | 0 | 0 | 0 | 0 | 111.5 | | |
| 4 | L | 34.7 | Very low | 34 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | cis | -164.6 | 163.6 | 28.9 | -113.8 | 141.4 | 0 | 0 | 0 | 111.1 | | |
| 5 | S | 32.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | | | trans | 7.6 | 161.3 | 145.5 | 70.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 6 | Q | 38.6 | Very low | 33.5 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | cis | -142.4 | 173.5 | 21.1 | -53.3 | 174.4 | 23.6 | 0 | 0 | 109.4 | | |
| 7 | N | 31.3 | Very low | 33.5 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | cis | 78.7 | 153.3 | 19 | -124 | 29.6 | 0 | 0 | 0 | 116.3 | | |
| 8 | P | 37.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | | -125.3 | -141.7 | -62.5 | 38.3 | -22.4 | 0 | 0 | 0 | 112.5 | | |
| 9 | V | 34.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 132 Ų | 132 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | | | trans | 92.1 | 134.2 | 168.7 | -171.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 10 | G | 35.9 | Very low | 33.2 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | | | trans | -174.6 | -25.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 11 | N | 32.8 | Very low | 33 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | trans | 47.8 | 112.9 | 163.7 | -81.8 | 1.4 | 0 | 0 | 0 | 124.7 | | |
| 12 | T | 33.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | | 85.9 | 147.1 | 125 | 66.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 13 | R | 33.7 | Very low | 32.6 | Very low | 221 Ų | 221 | 132 Ų | 132 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | | | trans | 77.8 | 106.2 | 167.7 | -46.3 | -176.3 | -159 | -161.8 | 3.7 | 114.8 | | |
| 14 | I | 28.3 | Very low | 32.4 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | | | cis | 69.1 | 111.6 | 41 | -47.8 | 175.3 | 0 | 0 | 0 | 114.1 | T16 | I14-T16 HydrophobicContact CG2-CG2 4.15Š|
| 15 | F | 31.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | | | trans | -152.8 | 146 | 144.5 | -100.4 | -69.9 | 0 | 0 | 0 | 110.2 | | |
| 16 | T | 28.9 | Very low | 32 | Very low | 50 Ų | 50 | 134.4 Ų | 134.4 | 31% | 0.307 | 72% | 0.722 | S | S | . | * | | | trans | -151.8 | 108.2 | -156.3 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | I14 D218 L219 N220 | I14-T16 HydrophobicContact CG2-CG2 4.15Å; T16-D218 WeakPolarHBondContact CB-O 3.31Å; T16-L219 VanDerWaalsContact CG2-C 3.45Å; T16-L219 HydrophobicContact CG2-CB 3.74Å; T16-N220 HydrophobicContact CG2-CB 4.2Å |
| 17 | T | 32.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | | | trans | -152.4 | 145.4 | 171.2 | 47 | 0 | 0 | 0 | 0 | 114.3 | D218 L219 | T17-D218 VanDerWaalsContact CA-OD2 3.3Å; T17-D218 WeakPolarHBondContact CA-OD2 3.48Å; T17-L219 VanDerWaalsContact O-CD2 3.31Å; T17-L219 WeakPolarHBondContact O-CD2 3.26Å |
| 18 | G | 30.8 | Very low | 31.4 | Very low | 41 Ų | 41 | 139.8 Ų | 139.8 | 42% | 0.423 | 73% | 0.73 | S | S | . | * | | | trans | 171.2 | -145.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D218 | G18-D218 PolarHBondContact N-OD1 3.41Å; G18-D218 PolarHBondContact N-OD2 2.97Å |
| 19 | R | 31.6 | Very low | 30.8 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | 61.9 | 155.5 | 179.2 | -89.1 | -164.9 | 174 | -153.8 | 1.6 | 119.8 | D218 | R19-D218 WeakPolarHBondContact CB-OD1 3.48Å; R19-D218 PolarHBondContact N-OD1 2.84Å |
| 20 | M | 32.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | | | trans | 79.3 | 110.2 | 175.6 | -58.8 | 171.5 | 64.5 | 0 | 0 | 114.8 | | |
| 21 | S | 29 | Very low | 30.4 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | cis | 83.9 | 97.8 | 27.1 | -168.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 22 | H | 33 | Very low | 30.4 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | | | trans | -139.1 | 162.5 | 156.5 | -86.1 | -88 | 0 | 0 | 0 | 109.8 | | |
| 23 | K | 29.8 | Very low | 30.1 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | | | trans | -121.7 | 167.9 | -166.1 | -63.3 | -177.6 | 179.2 | 178.5 | 0 | 113.6 | N1264 | K23-N1264 PolarHBondContact NZ-OD1 3.26Š|
| 24 | N | 26.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | 67.7 | 108.5 | 154.7 | -62.1 | -5.7 | 0 | 0 | 0 | 119.3 | | |
| 25 | V | 32.1 | Very low | 29.9 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | | | | -139.1 | 154.8 | 128 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 26 | S | 25.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -117.4 | 154.3 | -169.4 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 27 | R | 28.6 | Very low | 29.7 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | trans | 39.8 | 126.3 | 151.5 | -63.5 | 179.2 | -175.5 | 166.4 | 1 | 119.1 | | |
| 28 | F | 28.5 | Very low | 29.3 | Very low | 216 Ų | 216 | 142 Ų | 142 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | | | | -144 | 147 | 129.1 | -112.4 | -78.3 | 0 | 0 | 0 | 110.8 | | |
| 29 | C | 26.6 | Very low | 29.1 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | -108.5 | 146.6 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 30 | R | 27.5 | Very low | 28.8 | Very low | 247 Ų | 247 | 140.7 Ų | 140.7 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | trans | -165.2 | 126.2 | 154.5 | -110.1 | 167.4 | -167.7 | -155.5 | 2 | 111.6 | | |
| 31 | S | 33.7 | Very low | 28.6 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -89 | 160.2 | 149 | -53 | 0 | 0 | 0 | 0 | 108.1 | | |
| 32 | P | 32.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | | -134.9 | 171 | 88 | 35 | -18.2 | 0 | 0 | 0 | 111.8 | | |
| 33 | G | 27.4 | Very low | 28.2 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | 79.8 | 135.4 | 79 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 34 | G | 28.3 | Very low | 28.1 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | cis | 132.2 | 100.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 35 | I | 30.1 | Very low | 28.6 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -164.9 | 134.3 | 163.6 | -82.8 | 127.5 | 0 | 0 | 0 | 104.5 | | |
| 36 | L | 27.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 134 Ų | 134 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | cis | 110.8 | 112.7 | 10 | -70.1 | 179.9 | 0 | 0 | 0 | 115.3 | | |
| 37 | F | 28.6 | Very low | 29.1 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | 68.4 | 155.5 | 163.1 | -48.7 | -56.7 | 0 | 0 | 0 | 117.5 | | |
| 38 | S | 25.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | cis | -153.9 | 159.4 | -0.7 | -140 | 0 | 0 | 0 | 0 | 113.7 | | |
| 39 | S | 25.2 | Very low | 29.3 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | 17.7 | 150.9 | 130.5 | -36.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 40 | V | 26.9 | Very low | 29.7 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | | | cis | -162.7 | 166.3 | 16.7 | -130 | 0 | 0 | 0 | 0 | 112.5 | | |
| 41 | S | 26.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 68.1 | 144.8 | 143.5 | -66 | 0 | 0 | 0 | 0 | 123.7 | | |
| 42 | G | 29.1 | Very low | 29.9 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | 134.5 | 140.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 43 | G | 25.1 | Very low | 29.7 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | -178.1 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 44 | F | 28.3 | Very low | 29.8 | Very low | 211 Ų | 211 | 124.9 Ų | 124.9 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | 70.1 | 163.2 | -178.8 | -60.4 | -78 | 0 | 0 | 0 | 116.7 | | |
| 45 | P | 36.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | cis | -127.5 | -168.8 | -6.5 | 26.4 | -2.1 | 0 | 0 | 0 | 115.2 | | |
| 46 | D | 31 | Very low | 30 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | -62.7 | 158.2 | -179.5 | -61.8 | -82.3 | 0 | 0 | 0 | 117.8 | | |
| 47 | V | 37.4 | Very low | 30.1 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -138.1 | 146.8 | 154.2 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 48 | H | 33.2 | Very low | 30.3 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | -93.3 | 157 | -165.5 | -73.4 | -79.4 | 0 | 0 | 0 | 117.5 | | |
| 49 | S | 29.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 2.2 | 144.3 | 152.7 | -49.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 50 | S | 34.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | -156.1 | 154.6 | 124.1 | -159.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 51 | D | 32.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -59.2 | 168.6 | -167.4 | -58.6 | -42.9 | 0 | 0 | 0 | 119.8 | | |
| 52 | G | 32.7 | Very low | 31 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | | 137.9 | 83.1 | 126.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 53 | C | 28.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | 58.8 | 168.5 | 148.5 | -69.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 54 | S | 29.2 | Very low | 31.2 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | cis | -160.9 | 143.2 | -36.8 | 56 | 0 | 0 | 0 | 0 | 110.4 | | |
| 55 | A | 28.9 | Very low | 31.1 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | 21.6 | 119.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 56 | N | 35.2 | Very low | 30.7 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | | -160 | 164.2 | 120.2 | -103 | -47.5 | 0 | 0 | 0 | 112.4 | | |
| 57 | V | 29.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -131.2 | -173.1 | -159.6 | -150 | 0 | 0 | 0 | 0 | 111 | | |
| 58 | P | 32.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | | -100.7 | 166.6 | -100.8 | 38.7 | -26.2 | 0 | 0 | 0 | 115.8 | | |
| 59 | M | 28.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -150.9 | 117.8 | 159 | -167.2 | 70 | 124.5 | 0 | 0 | 113.8 | | |
| 60 | K | 28.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 31 | 116.5 | 151.9 | -58.3 | 170.2 | -174.1 | 171.5 | 0 | 119.3 | | |
| 61 | C | 28 | Very low | 30 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | trans | -114.9 | 142.3 | 154.1 | -146.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 62 | T | 32.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | -131.8 | 122 | -169.5 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 63 | R | 27.5 | Very low | 30.1 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | 38.7 | 96.6 | 143.1 | -169.9 | -174.2 | -178.8 | -178.4 | 1.4 | 118.4 | | |
| 64 | K | 32.5 | Very low | 30.2 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -164.6 | 126.1 | 143.4 | -97.1 | 157.1 | -178.4 | -173.4 | 0 | 105.2 | | |
| 65 | E | 26 | Very low | 30.3 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | | 76.3 | 124.1 | 64.2 | -72.6 | 175.9 | 173.4 | 0 | 0 | 113.1 | | |
| 66 | N | 26.6 | Very low | 30.4 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | 68.6 | 150.5 | -177.6 | -50.1 | -21.1 | 0 | 0 | 0 | 114.2 | | |
| 67 | E | 32.1 | Very low | 30.4 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | cis | -128.6 | 173.7 | 6.1 | -68.4 | 174.9 | 143.4 | 0 | 0 | 111.9 | | |
| 68 | R | 27.8 | Very low | 30.5 | Very low | 232 Ų | 232 | 143.2 Ų | 143.2 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | | | trans | -115.7 | 83.1 | 178.5 | -64.7 | -172.2 | -165.6 | 168.7 | 6.6 | 112.9 | | |
| 69 | N | 30.9 | Very low | 30.6 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | trans | -88.2 | 120.9 | 165.6 | -71.1 | -11.9 | 0 | 0 | 0 | 110 | | |
| 70 | I | 28.4 | Very low | 31 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | | | trans | -110.9 | 97.6 | -178.9 | -58.1 | 177.8 | 0 | 0 | 0 | 108.5 | | |
| 71 | N | 31.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 140.1 | 176.7 | -65.5 | 5.1 | 0 | 0 | 0 | 110.5 | | |
| 72 | P | 34.7 | Very low | 32 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132 | -179 | 28 | -34.1 | 0 | 0 | 0 | 112.2 | | |
| 73 | V | 32.8 | Very low | 32.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 122.8 | -177.2 | 179.4 | 0 | 0 | 0 | 0 | 111 | L75 | V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.26Å; V73-L75 PolarHBondContact O-N 3.44Å |
| 74 | S | 29.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | | | trans | -72.3 | 115.1 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 112 | | |
| 75 | L | 32.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 58% | 0.576 | 71% | 0.713 | S | S | * | * | | | trans | -111.9 | 16.5 | -170.2 | -73.4 | 175.6 | 0 | 0 | 0 | 115.6 | V73 N77 | V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.26Å; V73-L75 PolarHBondContact O-N 3.44Å; L75-N77 PolarHBondContact O-N 2.75Å |
| 76 | F | 31.8 | Very low | 33.1 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -0.9 | -172.3 | -81 | -80.2 | 0 | 0 | 0 | 117.4 | | |
| 77 | N | 33.9 | Very low | 33.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 42% | 0.417 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.4 | 10.2 | -166.6 | -86.8 | -69.2 | 0 | 0 | 0 | 116.7 | L75 F433 | L75-N77 PolarHBondContact O-N 2.75Å; N77-F433 HydrophobicContact CB-CZ 4.43Å |
| 78 | S | 32.4 | Very low | 34.2 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -115.9 | 3.4 | -164.9 | -60 | 0 | 0 | 0 | 0 | 118.7 | | |
| 79 | L | 34.9 | Very low | 34.9 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | | | trans | -128 | 14 | -168 | -73.1 | 175.8 | 0 | 0 | 0 | 117.7 | | |
| 80 | L | 36.7 | Very low | 35.8 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | | | trans | -99 | 111.4 | 172.1 | -73.9 | 170.7 | 0 | 0 | 0 | 111.7 | P82 | L80-P82 WeakPolarHBondContact O-CD 3.21Š|
| 81 | D | 35.8 | Very low | 37.1 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | | | trans | -66.3 | 118.2 | 170.5 | -178.2 | -11.4 | 0 | 0 | 0 | 109.8 | N83 I84 | D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.06Å; D81-N83 PolarHBondContact OD1-ND2 3.41Å; D81-I84 HydrophobicContact CB-CD1 4.2Å; D81-I84 HydrophobicContact CB-CG1 4.24Å; D81-I84 PolarHBondContact O-N 3.07Å |
| 82 | P | 40.6 | Very low | 38.4 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -0.4 | -177.5 | 29.7 | -36.5 | 0 | 0 | 0 | 114.4 | L80 | L80-P82 WeakPolarHBondContact O-CD 3.21Š|
| 83 | N | 35.1 | Very low | 39.9 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 0.3 | -179.1 | -53.7 | -83.4 | 0 | 0 | 0 | 114.3 | D81 E85 | D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.06Å; D81-N83 PolarHBondContact OD1-ND2 3.41Å; N83-E85 PolarHBondContact O-N 2.78Å |
| 84 | I | 36.2 | Very low | 41.5 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | | | trans | -87 | 103.2 | 174.5 | -60.9 | 178.8 | 0 | 0 | 0 | 109.5 | D81 L86 | D81-I84 HydrophobicContact CB-CD1 4.2Å; D81-I84 HydrophobicContact CB-CG1 4.24Å; D81-I84 PolarHBondContact O-N 3.07Å; I84-L86 HydrophobicContact CG2-CD2 4.07Å; I84-L86 HydrophobicContact CG2-CG 4.31Å; I84-L86 PolarHBondContact O-N 2.85Å; I84-L86 VanDerWaalsContact O-N 3.09Å |
| 85 | E | 35.5 | Very low | 43.1 | Very low | 191 Ų | 191 | 112.6 Ų | 112.6 | 89% | 0.893 | 60% | 0.601 | S | S | * | * | | | trans | -72.1 | 95.4 | 164.4 | -67.9 | -172.2 | 148.9 | 0 | 0 | 109.3 | N83 | N83-E85 PolarHBondContact O-N 2.78Š|
| 86 | L | 36.2 | Very low | 44.8 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | | | trans | -64.5 | 134.5 | 168.1 | -69 | 174.1 | 0 | 0 | 0 | 109.5 | I84 T88 | I84-L86 HydrophobicContact CG2-CD2 4.07Å; I84-L86 HydrophobicContact CG2-CG 4.31Å; I84-L86 PolarHBondContact O-N 2.85Å; I84-L86 VanDerWaalsContact O-N 3.09Å; L86-T88 PolarHBondContact O-N 2.91Å |
| 87 | P | 42.2 | Very low | 46.1 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 59% | 0.591 | 58% | 0.584 | S | S | * | * | | | trans | -60.9 | 124.1 | 174.8 | -21.7 | 33.1 | 0 | 0 | 0 | 110.8 | I89 | P87-I89 PolarHBondContact O-N 3.19Š|
| 88 | T | 39.4 | Very low | 47.1 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 82% | 0.816 | 59% | 0.587 | S | S | * | * | | | trans | -72.8 | 96.3 | 171.2 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | L86 S90 | L86-T88 PolarHBondContact O-N 2.91Å; T88-S90 PolarHBondContact O-N 3.32Å |
| 89 | I | 42.8 | Very low | 48.2 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | | | trans | -54.8 | 125.1 | 157.5 | -66.2 | 177.4 | 0 | 0 | 0 | 106.5 | P87 E93 V94 | P87-I89 PolarHBondContact O-N 3.19Å; I89-E93 HydrophobicContact CG2-CB 3.8Å; I89-V94 HydrophobicContact CG2-CG2 3.74Å |
| 90 | S | 48.7 | Very low | 49 | Very low | 32 Ų | 32 | 106.2 Ų | 106.2 | 22% | 0.224 | 57% | 0.57 | C | S | . | * | | | trans | -80.6 | 155 | 178.1 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | T88 R92 E93 V94 | T88-S90 PolarHBondContact O-N 3.32Å; S90-R92 PolarHBondContact O-N 3.36Å; S90-E93 WeakPolarHBondContact CA-OE2 3.01Å; S90-E93 WeakPolarHBondContact CB-OE2 3.5Å; S90-E93 PolarHBondContact N-OE2 3.03Å; S90-E93 WeakPolarHBondContact O-CA 3.35Å; S90-E93 WeakPolarHBondContact O-CB 3.33Å; S90-E93 PolarHBondContact O-N 3.4Å; S90-E93 PolarHBondContact OG-N 3.25Å; S90-E93 PolarHBondContact OG-OE2 3.09Å; S90-V94 PolarHBondContact O-N 3.46Å; S90-V94 VanDerWaalsContact O-N 3.12Å |
| 91 | V | 56.4 | Low | 49.4 | Very low | 96 Ų | 96 | 104.5 Ų | 104.5 | 58% | 0.582 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -52.3 | -40.7 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | E93 V94 D95 | V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.12Å; V91-V94 CarbonylContact O-C 3.23Å; V91-V94 WeakPolarHBondContact O-CA 3.39Å; V91-V94 VanDerWaalsContact O-CB 3.3Å; V91-V94 WeakPolarHBondContact O-CB 3.27Å; V91-V94 PolarHBondContact O-N 2.94Å; V91-D95 PolarHBondContact O-N 2.71Å |
| 92 | R | 58.5 | Low | 49.7 | Very low | 128 Ų | 128 | 105.7 Ų | 105.7 | 48% | 0.483 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -31.5 | 173.4 | -80.1 | -170 | -59.2 | -107.4 | -10.8 | 115.6 | S90 V94 D95 E96 Y361 | S90-R92 PolarHBondContact O-N 3.36Å; R92-V94 VanDerWaalsContact C-N 3.31Å; R92-D95 WeakPolarHBondContact CA-OD2 3.23Å; R92-D95 PolarHBondContact N-OD2 3.2Å; R92-D95 PolarHBondContact O-N 3.28Å; R92-E96 WeakPolarHBondContact O-CB 3.49Å; R92-E96 PolarHBondContact O-N 2.9Å; R92-Y361 VanDerWaalsContact NH2-CE1 3.25Å |
| 93 | E | 66.3 | Low | 49.4 | Very low | 90 Ų | 90 | 102.8 Ų | 102.8 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.9 | -27.8 | 173 | -74.4 | 153.9 | 123.8 | 0 | 0 | 110.6 | I89 S90 V91 I97 | I89-E93 HydrophobicContact CG2-CB 3.8Å; S90-E93 WeakPolarHBondContact CA-OE2 3.01Å; S90-E93 WeakPolarHBondContact CB-OE2 3.5Å; S90-E93 PolarHBondContact N-OE2 3.03Å; S90-E93 WeakPolarHBondContact O-CA 3.35Å; S90-E93 WeakPolarHBondContact O-CB 3.33Å; S90-E93 PolarHBondContact O-N 3.4Å; S90-E93 PolarHBondContact OG-N 3.25Å; S90-E93 PolarHBondContact OG-OE2 3.09Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.12Å; E93-I97 WeakPolarHBondContact O-CB 3.28Å; E93-I97 WeakPolarHBondContact O-CD1 3.46Å; E93-I97 WeakPolarHBondContact O-CG1 3.43Å; E93-I97 PolarHBondContact O-N 2.74Å |
| 94 | V | 65.2 | Low | 49.2 | Very low | 66 Ų | 66 | 100.7 Ų | 100.7 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.1 | -45.7 | 167.9 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | I89 S90 V91 R92 E96 I97 L98 | I89-V94 HydrophobicContact CG2-CG2 3.74Å; S90-V94 PolarHBondContact O-N 3.46Å; S90-V94 VanDerWaalsContact O-N 3.12Å; V91-V94 CarbonylContact O-C 3.23Å; V91-V94 WeakPolarHBondContact O-CA 3.39Å; V91-V94 VanDerWaalsContact O-CB 3.3Å; V91-V94 WeakPolarHBondContact O-CB 3.27Å; V91-V94 PolarHBondContact O-N 2.94Å; R92-V94 VanDerWaalsContact C-N 3.31Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.26Å; V94-I97 PolarHBondContact O-N 2.73Å; V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å |
| 95 | D | 63.4 | Low | 49 | Very low | 80 Ų | 80 | 102.4 Ų | 102.4 | 43% | 0.428 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -36.7 | 176.8 | -51.9 | -34.4 | 0 | 0 | 0 | 111.6 | V91 R92 S99 | V91-D95 PolarHBondContact O-N 2.71Å; R92-D95 WeakPolarHBondContact CA-OD2 3.23Å; R92-D95 PolarHBondContact N-OD2 3.2Å; R92-D95 PolarHBondContact O-N 3.28Å; D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.32Å; D95-S99 PolarHBondContact O-N 3.22Å; D95-S99 PolarHBondContact O-OG 3.12Å |
| 96 | E | 68 | Low | 48.7 | Very low | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.8 | -37.5 | 176.7 | -169.9 | 166.9 | -129.8 | 0 | 0 | 110.8 | R92 V94 S99 N100 | R92-E96 WeakPolarHBondContact O-CB 3.49Å; R92-E96 PolarHBondContact O-N 2.9Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.26Å; E96-S99 WeakPolarHBondContact CA-OG 3.43Å; E96-S99 PolarHBondContact O-OG 2.92Å; E96-N100 WeakPolarHBondContact O-CB 3.27Å; E96-N100 PolarHBondContact O-N 3.05Å; E96-N100 PolarHBondContact O-ND2 3.04Å |
| 97 | I | 59.6 | Low | 48.3 | Very low | 81 Ų | 81 | 96.8 Ų | 96.8 | 42% | 0.415 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -43.1 | 170.2 | -72.3 | 166.2 | 0 | 0 | 0 | 111.1 | E93 V94 N100 L101 | E93-I97 WeakPolarHBondContact O-CB 3.28Å; E93-I97 WeakPolarHBondContact O-CD1 3.46Å; E93-I97 WeakPolarHBondContact O-CG1 3.43Å; E93-I97 PolarHBondContact O-N 2.74Å; V94-I97 PolarHBondContact O-N 2.73Å; I97-N100 CarbonylContact O-C 3.59Å; I97-N100 PolarHBondContact O-N 3.24Å; I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.96Å; I97-L101 VanDerWaalsContact O-N 3.14Å |
| 98 | L | 55.5 | Low | 47.7 | Very low | 91 Ų | 91 | 98.9 Ų | 98.9 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | 178.1 | -76.5 | 171.6 | 0 | 0 | 0 | 111.5 | V94 N100 L101 T102 | V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.12Å; L98-L101 CarbonylContact O-C 3.54Å; L98-L101 WeakPolarHBondContact O-CA 3.42Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.4Å; L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 3.17Å; L98-T102 VanDerWaalsContact O-OG1 3.08Å |
| 99 | S | 54.6 | Low | 47.3 | Very low | 62 Ų | 62 | 97.4 Ų | 97.4 | 43% | 0.434 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.5 | -26.5 | 176.4 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | D95 E96 L101 S103 | D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.32Å; D95-S99 PolarHBondContact O-N 3.22Å; D95-S99 PolarHBondContact O-OG 3.12Å; E96-S99 WeakPolarHBondContact CA-OG 3.43Å; E96-S99 PolarHBondContact O-OG 2.92Å; S99-L101 PolarHBondContact O-N 3.11Å; S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.34Å; S99-S103 PolarHBondContact O-OG 2.63Å |
| 100 | N | 52.1 | Low | 46.6 | Very low | 107 Ų | 107 | 100.8 Ų | 100.8 | 57% | 0.572 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.1 | -4.9 | 166.1 | -76.9 | -65.1 | 0 | 0 | 0 | 113.7 | E96 I97 L98 | E96-N100 WeakPolarHBondContact O-CB 3.27Å; E96-N100 PolarHBondContact O-N 3.05Å; E96-N100 PolarHBondContact O-ND2 3.04Å; I97-N100 CarbonylContact O-C 3.59Å; I97-N100 PolarHBondContact O-N 3.24Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.12Å |
| 101 | L | 46.1 | Very low | 45.7 | Very low | 127 Ų | 127 | 105 Ų | 105 | 67% | 0.665 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -108.2 | -31.4 | 173.7 | -72.9 | 166.6 | 0 | 0 | 0 | 112.9 | I97 L98 S99 | I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.96Å; I97-L101 VanDerWaalsContact O-N 3.14Å; L98-L101 CarbonylContact O-C 3.54Å; L98-L101 WeakPolarHBondContact O-CA 3.42Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.4Å; S99-L101 PolarHBondContact O-N 3.11Å |
| 102 | T | 42.4 | Very low | 44.5 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93.4 | -12.7 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | L98 A104 | L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 3.17Å; L98-T102 VanDerWaalsContact O-OG1 3.08Å; T102-A104 PolarHBondContact O-N 3.22Å |
| 103 | S | 34.1 | Very low | 43.3 | Very low | 61 Ų | 61 | 108.2 Ų | 108.2 | 43% | 0.427 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -67.9 | 115 | 161.6 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | S99 N105 | S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.34Å; S99-S103 PolarHBondContact O-OG 2.63Å; S103-N105 PolarHBondContact O-N 3.03Å; S103-N105 VanDerWaalsContact O-N 3.11Å |
| 104 | A | 31 | Very low | 41.6 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 74% | 0.744 | 64% | 0.642 | S | S | * | * | | | trans | -57.1 | 119.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | T102 S106 | T102-A104 PolarHBondContact O-N 3.22Å; A104-S106 PolarHBondContact O-N 3.17Å |
| 105 | N | 31 | Very low | 39.9 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | | | trans | -70.8 | 67.1 | 176.7 | -86.6 | -73.6 | 0 | 0 | 0 | 110.8 | S103 S107 | S103-N105 PolarHBondContact O-N 3.03Å; S103-N105 VanDerWaalsContact O-N 3.11Å; N105-S107 PolarHBondContact O-N 3.46Å |
| 106 | S | 29.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 112.9 Ų | 112.9 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | | | trans | -54.7 | 123.7 | 163.7 | 52 | 0 | 0 | 0 | 0 | 108.3 | A104 | A104-S106 PolarHBondContact O-N 3.17Š|
| 107 | S | 28.3 | Very low | 36.3 | Very low | 92 Ų | 92 | 112 Ų | 112 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | | | trans | -54 | 139 | -167.3 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | N105 S109 | N105-S107 PolarHBondContact O-N 3.46Å; S107-S109 PolarHBondContact O-N 2.79Å |
| 108 | P | 29.6 | Very low | 34.9 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | | | trans | -69.5 | 80.8 | 173.3 | 29.7 | -34.8 | 0 | 0 | 0 | 110.1 | K110 | P108-K110 PolarHBondContact O-N 2.82Š|
| 109 | S | 31.1 | Very low | 33.8 | Very low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | -65.4 | 131.6 | 178.8 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | S107 P111 | S107-S109 PolarHBondContact O-N 2.79Å; S109-P111 WeakPolarHBondContact O-CD 3.17Å |
| 110 | K | 28.1 | Very low | 32.5 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | -66.9 | 115.2 | -166.5 | -165.2 | 175.3 | -174.8 | 178.1 | 0 | 110 | P108 T112 | P108-K110 PolarHBondContact O-N 2.82Å; K110-T112 PolarHBondContact O-N 3.4Å; K110-T112 PolarHBondContact O-OG1 3.24Å; K110-T112 VanDerWaalsContact O-OG1 3.07Å |
| 111 | P | 29.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -69.6 | 96 | -176.4 | 27.5 | -34.1 | 0 | 0 | 0 | 110 | S109 N113 | S109-P111 WeakPolarHBondContact O-CD 3.17Å; P111-N113 PolarHBondContact O-N 3.39Å |
| 112 | T | 31.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | -86.1 | 93 | -174.5 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | K110 G114 | K110-T112 PolarHBondContact O-N 3.4Å; K110-T112 PolarHBondContact O-OG1 3.24Å; K110-T112 VanDerWaalsContact O-OG1 3.07Å; T112-G114 PolarHBondContact O-N 3.3Å |
| 113 | N | 32.1 | Very low | 30.1 | Very low | 171 Ų | 171 | 126 Ų | 126 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | | | trans | -61.7 | 107.8 | 173.7 | -84.4 | -31.3 | 0 | 0 | 0 | 110.1 | P111 | P111-N113 PolarHBondContact O-N 3.39Š|
| 114 | G | 30.7 | Very low | 29.7 | Very low | 62 Ų | 62 | 128.9 Ų | 128.9 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | | | trans | -159 | 49.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T112 | T112-G114 PolarHBondContact O-N 3.3Š|
| 115 | I | 29.9 | Very low | 29.4 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | 23.5 | 112.4 | 153.8 | -50 | 169 | 0 | 0 | 0 | 116.8 | | |
| 116 | C | 26.5 | Very low | 29.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 72% | 0.716 | 77% | 0.77 | S | S | * | * | | | | 179.2 | 151.2 | 99.8 | -155.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 117 | S | 30.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | 36.7 | 150.1 | 147.1 | 55.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 118 | N | 29.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | cis | -177.1 | 149.3 | -25 | -153.2 | 9.1 | 0 | 0 | 0 | 107.3 | | |
| 119 | I | 31.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | 66 | 120.5 | 169.7 | -51.6 | 154.1 | 0 | 0 | 0 | 113.6 | | |
| 120 | T | 27.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | cis | 85.2 | 86.1 | 34.4 | -48.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 121 | T | 32.4 | Very low | 29 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | | | trans | -143.4 | 141.8 | 150.9 | 34.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 122 | H | 25.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -70.5 | 162.8 | 159.7 | -87.5 | -123.8 | 0 | 0 | 0 | 109.6 | | |
| 123 | I | 32.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 76% | 0.756 | S | S | * | * | | | | -175.9 | 148.9 | 109.4 | -90.8 | 155.8 | 0 | 0 | 0 | 111.8 | | |
| 124 | N | 27.5 | Very low | 28.9 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | | | trans | -38.5 | 161.6 | 177.3 | -62 | -6.8 | 0 | 0 | 0 | 119.7 | | |
| 125 | F | 24.2 | Very low | 28.8 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 14.9 | 133.6 | 136.3 | -62.6 | -103.7 | 0 | 0 | 0 | 119.1 | | |
| 126 | C | 30.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | | -170.3 | 168 | 107.6 | -103.6 | 0 | 0 | 0 | 0 | 113 | | |
| 127 | D | 27.5 | Very low | 28.9 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | | | trans | -88.5 | 157.4 | -161.9 | -52.9 | -88.7 | 0 | 0 | 0 | 116.2 | | |
| 128 | I | 27.8 | Very low | 28.8 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 37.5 | 124.3 | 135.2 | -57.7 | 164.3 | 0 | 0 | 0 | 119.4 | | |
| 129 | S | 27.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | -158.5 | 136.2 | 127.6 | -40 | 0 | 0 | 0 | 0 | 112 | | |
| 130 | D | 28.3 | Very low | 28.6 | Very low | 87 Ų | 87 | 142 Ų | 142 | 47% | 0.465 | 78% | 0.782 | S | S | . | * | | | trans | -85.7 | 171.5 | 165.5 | -69.2 | -52.9 | 0 | 0 | 0 | 111.9 | | |
| 131 | N | 27.3 | Very low | 28.9 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 77.5 | 148.8 | 174.4 | -43.4 | -80.4 | 0 | 0 | 0 | 114.1 | | |
| 132 | L | 32.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | cis | -150.5 | 158.3 | 30.7 | -169 | 68.6 | 0 | 0 | 0 | 112.4 | | |
| 133 | C | 26.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | -72.5 | 155.5 | 176.3 | -46.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 134 | Q | 32.3 | Very low | 29.1 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | | 174 | 148.4 | 111.8 | -95.3 | 176.4 | 2.2 | 0 | 0 | 113.1 | | |
| 135 | D | 26.8 | Very low | 29.2 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 146.6 | 167.2 | -60.2 | -81.5 | 0 | 0 | 0 | 112.2 | | |
| 136 | S | 31.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -159.7 | 127.3 | 146.8 | -89.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 137 | V | 28.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -33.2 | 135.2 | 163 | 178 | 0 | 0 | 0 | 0 | 113.5 | | |
| 138 | G | 27.1 | Very low | 30.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -72.2 | 170.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 139 | Y | 31 | Very low | 30.5 | Very low | 236 Ų | 236 | 136 Ų | 136 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -133.7 | 133.8 | 172.4 | -113.9 | -86.4 | 0 | 0 | 0 | 111.6 | | |
| 140 | I | 28 | Very low | 30.9 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -93.4 | 129.2 | 177.8 | -59.6 | 169.6 | 0 | 0 | 0 | 109.7 | | |
| 141 | K | 33 | Very low | 31.2 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -156.2 | 109.1 | 157 | -110.2 | 165.2 | -178.8 | 174.3 | 0 | 108.3 | | |
| 142 | S | 28.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | cis | 93.1 | 121.4 | 48.7 | -69 | 0 | 0 | 0 | 0 | 112.6 | | |
| 143 | G | 32.3 | Very low | 31.7 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | 112.6 | 133.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 144 | A | 32.8 | Very low | 32.1 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | cis | -160.7 | 142.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 145 | M | 30.2 | Very low | 31.9 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | 61.5 | 139.3 | 141.3 | -66.1 | -179.9 | 89.9 | 0 | 0 | 119.3 | | |
| 146 | S | 35.1 | Very low | 32 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | cis | -167.5 | 158.9 | 6.2 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 147 | N | 33.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | 77.7 | 151 | 144.4 | -73.2 | 0.3 | 0 | 0 | 0 | 119.2 | | |
| 148 | P | 33.7 | Very low | 32 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | | -134.2 | -175.9 | -125.2 | 43.7 | -28.7 | 0 | 0 | 0 | 116.3 | | |
| 149 | H | 34.4 | Very low | 32 | Very low | 167 Ų | 167 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -25.7 | 151 | 154.7 | -119.1 | -48 | 0 | 0 | 0 | 115.1 | | |
| 150 | P | 36.7 | Very low | 31.8 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | | | | -141.5 | 169.6 | 104.2 | 40 | -29.6 | 0 | 0 | 0 | 115.8 | | |
| 151 | F | 34.2 | Very low | 31.8 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 78.1 | 142.3 | 152.8 | -61.8 | -39 | 0 | 0 | 0 | 120.6 | | |
| 152 | N | 34 | Very low | 31.7 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -163.8 | 166.2 | -24.4 | -153.9 | -14.9 | 0 | 0 | 0 | 109.4 | | |
| 153 | G | 35.2 | Very low | 31.8 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | | | trans | 99.5 | 112 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 154 | K | 35.3 | Very low | 31.6 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | | 69.9 | 137.5 | 58.1 | -66.7 | -179.6 | 177.8 | -178.6 | 0 | 113.3 | | |
| 155 | N | 28.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | cis | -174.8 | 163.2 | -21 | -115.8 | 12.8 | 0 | 0 | 0 | 107 | | |
| 156 | C | 28.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | | | trans | 65.7 | 127.5 | 164 | -61.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 157 | S | 28.2 | Very low | 31 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | cis | 63.8 | 93.9 | 38.6 | -161.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 158 | S | 32.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | trans | -178.3 | 80.3 | 162.1 | -76.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 159 | Q | 26.2 | Very low | 30.5 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | | | | 50.8 | 71.9 | 69.7 | -161.1 | -177.9 | 20.6 | 0 | 0 | 112.4 | | |
| 160 | S | 27.9 | Very low | 30.3 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | trans | -152.2 | 117.7 | 164.3 | 55.1 | 0 | 0 | 0 | 0 | 112 | | |
| 161 | V | 28.7 | Very low | 30 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | | | trans | 52.5 | 115.6 | 141 | -171.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 162 | K | 30 | Very low | 29.8 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | | | | -161.9 | 135.5 | 53.8 | -152.7 | 170.3 | 178.1 | -173.3 | 0 | 112.3 | | |
| 163 | V | 30.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | 44 | 138.8 | 142.3 | 174.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 164 | S | 29.6 | Very low | 29.5 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | cis | -168.1 | 138.2 | -21.7 | -84 | 0 | 0 | 0 | 0 | 104.4 | | |
| 165 | L | 27.2 | Very low | 29.3 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | | | | 51.2 | 128.4 | 77.1 | -90.3 | 167.7 | 0 | 0 | 0 | 114.7 | | |
| 166 | I | 29.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | | | trans | 104.5 | 98.7 | 159 | -61 | 158.8 | 0 | 0 | 0 | 117.4 | Q1000 | I166-Q1000 PolarHBondContact O-OE1 2.94Š|
| 167 | N | 27.7 | Very low | 29.6 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 44% | 0.444 | 72% | 0.722 | S | S | . | * | | | trans | 86.7 | 135.5 | 132.7 | -74.4 | 24.6 | 0 | 0 | 0 | 124 | Q999 Q1000 | N167-Q999 PolarHBondContact O-NE2 3.35Å; N167-Q1000 PolarHBondContact O-NE2 3.06Å |
| 168 | E | 29.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 61% | 0.607 | 73% | 0.726 | S | S | * | * | | | trans | 62.7 | 161.5 | 131.4 | -60.9 | 168.7 | 136.1 | 0 | 0 | 122.3 | Q999 | E168-Q999 VanDerWaalsContact C-NE2 3.26Å; E168-Q999 PolarHBondContact O-NE2 2.98Å |
| 169 | S | 28.5 | Very low | 29.4 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | | | trans | 33 | 128.1 | 146 | 59.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 170 | E | 29.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | | | trans | 70.3 | 129.1 | 131.5 | -64 | 179.1 | 134.2 | 0 | 0 | 121 | | |
| 171 | A | 29.9 | Very low | 29.6 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | 71.7 | 113.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 172 | I | 30.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | | 85.2 | 119.4 | 123.9 | -66.5 | 174.2 | 0 | 0 | 0 | 119 | | |
| 173 | E | 30 | Very low | 29.1 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | | | trans | 85.9 | 120.2 | 150.6 | -73 | 166.7 | -162.5 | 0 | 0 | 124.4 | | |
| 174 | H | 32.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | | | trans | 53.5 | 104.6 | 139.8 | -84.3 | -81.2 | 0 | 0 | 0 | 122.5 | | |
| 175 | N | 30.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | | | | 175.5 | 133.6 | 87.1 | -92.8 | -28.3 | 0 | 0 | 0 | 116.5 | | |
| 176 | V | 32.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | | | trans | 47.4 | 117.9 | 141.5 | -172.5 | 0 | 0 | 0 | 0 | 122 | | |
| 177 | A | 30.5 | Very low | 28.6 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | | | trans | 61.3 | 135 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 178 | N | 27.8 | Very low | 28.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | cis | -140.8 | 171 | -4.9 | -94.2 | -24 | 0 | 0 | 0 | 109 | | |
| 179 | D | 30.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 132 Ų | 132 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | | | trans | 60.8 | 116.8 | -178.3 | -66.6 | -18.9 | 0 | 0 | 0 | 116.8 | | |
| 180 | S | 29.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | | | trans | -170.8 | 168.5 | 149.4 | -93.9 | 0 | 0 | 0 | 0 | 113.7 | N1228 | S180-N1228 PolarHBondContact O-ND2 3.37Š|
| 181 | S | 27.8 | Very low | 28.5 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | | | trans | -77.7 | 168 | -177.6 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 182 | M | 25.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | 68.9 | 107.7 | 153.4 | -74.5 | -175.6 | 66.1 | 0 | 0 | 120.4 | | |
| 183 | C | 22.9 | Very low | 28.3 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 64% | 0.635 | 73% | 0.726 | S | S | * | * | | | | 76.4 | 166.2 | 121.9 | -58.3 | 0 | 0 | 0 | 0 | 121 | | |
| 184 | I | 25.7 | Very low | 28.3 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | | | trans | 78.4 | 110.4 | 162.3 | -61.2 | 144.4 | 0 | 0 | 0 | 116.3 | | |
| 185 | N | 23.5 | Very low | 28 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | | | trans | 27.1 | 131.9 | 141.2 | -58.8 | -13.7 | 0 | 0 | 0 | 120.2 | | |
| 186 | S | 28.1 | Very low | 28 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | | | | 30.4 | 128 | 127.5 | -94.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 187 | P | 28.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | | | | -147.4 | 177.6 | 73.8 | 44.4 | -29.9 | 0 | 0 | 0 | 115.5 | | |
| 188 | R | 26.9 | Very low | 27.9 | Very low | 232 Ų | 232 | 117.3 Ų | 117.3 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | | | | 32.2 | 139 | 128.8 | -62.9 | 174.9 | -176.8 | 168.5 | -0.1 | 118.1 | | |
| 189 | V | 29.1 | Very low | 27.8 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | | | cis | -164.3 | 165.4 | 19.3 | 103.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 190 | D | 28.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | | | trans | -1.5 | 116.7 | 155.3 | -36 | -33.1 | 0 | 0 | 0 | 118.1 | | |
| 191 | G | 29 | Very low | 27.8 | Very low | 65 Ų | 65 | 113.2 Ų | 113.2 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | | | | 96.4 | 146 | 93.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 192 | L | 26.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | | | trans | 74.4 | 174.7 | 157 | -47.4 | 172.4 | 0 | 0 | 0 | 113.3 | | |
| 193 | P | 30.6 | Very low | 28 | Very low | 70 Ų | 70 | 110.7 Ų | 110.7 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | | | | -145.1 | -158.2 | -106.9 | 35.3 | -9.3 | 0 | 0 | 0 | 115.8 | V208 | P193-V208 HydrophobicContact CG-CB 4.36Å; P193-V208 HydrophobicContact CG-CG1 3.86Å |
| 194 | V | 28.5 | Very low | 28.1 | Very low | 70 Ų | 70 | 109 Ų | 109 | 42% | 0.424 | 63% | 0.627 | S | S | . | * | | | trans | 101.7 | 115.3 | 153.8 | -164.3 | 0 | 0 | 0 | 0 | 119 | T207 V208 | V194-T207 HydrophobicContact CB-CG2 4.23Å; V194-T207 HydrophobicContact CG1-CG2 3.89Å; V194-V208 HydrophobicContact CG2-CB 4.33Å; V194-V208 HydrophobicContact CG2-CG1 3.68Å; V194-V208 HydrophobicContact CG2-CG2 4.13Å |
| 195 | S | 27.4 | Very low | 28 | Very low | 77 Ų | 77 | 106.2 Ų | 106.2 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | | | trans | 58 | 136.3 | 154.8 | 74.3 | 0 | 0 | 0 | 0 | 119.1 | T207 | S195-T207 VanDerWaalsContact N-CG2 3.29Š|
| 196 | S | 30.7 | Very low | 28.1 | Very low | 86 Ų | 86 | 103.1 Ų | 103.1 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | | | | -176.8 | 152.6 | 50.1 | 45.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 197 | N | 30 | Very low | 27.9 | Very low | 142 Ų | 142 | 101 Ų | 101 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | | | trans | 53.1 | 125.9 | 143.2 | -63.7 | -9.2 | 0 | 0 | 0 | 122.1 | | |
| 198 | V | 30.3 | Very low | 27.8 | Very low | 76 Ų | 76 | 100.4 Ų | 100.4 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | | | cis | -178.1 | 160.1 | -36.9 | 140.2 | 0 | 0 | 0 | 0 | 107.1 | L204 | V198-L204 HydrophobicContact CB-CD2 3.99Å; V198-L204 HydrophobicContact CG1-CD2 4.36Å; V198-L204 HydrophobicContact CG2-CD2 3.51Å |
| 199 | C | 26.2 | Very low | 27.8 | Very low | 97 Ų | 97 | 93.2 Ų | 93.2 | 66% | 0.655 | 57% | 0.565 | S | S | * | * | | | trans | 74.5 | 131.1 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 200 | H | 27.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 90.5 Ų | 90.5 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | S | Bend | cis | -132.7 | 32.1 | -23 | -140.4 | 7.6 | 0 | 0 | 0 | 113.5 | | |
| 201 | T | 32.2 | Very low | 27.6 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -50.6 | 153.9 | 136.3 | -29.4 | 0 | 0 | 0 | 0 | 109.2 | V203 | T201-V203 HydrophobicContact CG2-CB 4.36Å; T201-V203 HydrophobicContact CG2-CG2 3.55Å |
| 202 | L | 28.2 | Very low | 27.5 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -119.5 | 108.5 | 156.9 | -53.6 | 174.9 | 0 | 0 | 0 | 106 | L204 K250 | L202-L204 HydrophobicContact CD2-CD1 3.53Å; L202-L204 HydrophobicContact CD2-CG 4.01Å; L202-K250 HydrophobicContact CD1-CD 3.86Å; L202-K250 VanDerWaalsContact CD2-NZ 3.32Å |
| 203 | V | 29 | Very low | 27.7 | Very low | 98 Ų | 98 | 91 Ų | 91 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | | | cis | 52.7 | 177.5 | 4.2 | -165.6 | 0 | 0 | 0 | 0 | 112.6 | T201 | T201-V203 HydrophobicContact CG2-CB 4.36Å; T201-V203 HydrophobicContact CG2-CG2 3.55Å |
| 204 | L | 25.4 | Very low | 27.6 | Very low | 59 Ų | 59 | 94.9 Ų | 94.9 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | | | trans | 68 | 73.1 | 175.3 | -27.8 | -178.6 | 0 | 0 | 0 | 112.9 | V198 L202 | V198-L204 HydrophobicContact CB-CD2 3.99Å; V198-L204 HydrophobicContact CG1-CD2 4.36Å; V198-L204 HydrophobicContact CG2-CD2 3.51Å; L202-L204 HydrophobicContact CD2-CD1 3.53Å; L202-L204 HydrophobicContact CD2-CG 4.01Å |
| 205 | D | 23.4 | Very low | 27.5 | Very low | 91 Ų | 91 | 96 Ų | 96 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | | | cis | -157.1 | -178.9 | 3.1 | -96.7 | -57.2 | 0 | 0 | 0 | 110.2 | | |
| 206 | S | 25.6 | Very low | 27.5 | Very low | 82 Ų | 82 | 100.5 Ų | 100.5 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | | | trans | -46.6 | 168.7 | 141.9 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 207 | T | 23.6 | Very low | 27.6 | Very low | 70 Ų | 70 | 102.5 Ų | 102.5 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | | | | 168.1 | 141.9 | 91.8 | 61.7 | 0 | 0 | 0 | 0 | 107.4 | V194 S195 | V194-T207 HydrophobicContact CB-CG2 4.23Å; V194-T207 HydrophobicContact CG1-CG2 3.89Å; S195-T207 VanDerWaalsContact N-CG2 3.29Å |
| 208 | V | 26.2 | Very low | 27.5 | Very low | 93 Ų | 93 | 96.8 Ų | 96.8 | 56% | 0.564 | 57% | 0.568 | S | S | * | * | | | trans | 46.6 | 154 | 165.1 | -91.6 | 0 | 0 | 0 | 0 | 119.7 | P193 V194 | P193-V208 HydrophobicContact CG-CB 4.36Å; P193-V208 HydrophobicContact CG-CG1 3.86Å; V194-V208 HydrophobicContact CG2-CB 4.33Å; V194-V208 HydrophobicContact CG2-CG1 3.68Å; V194-V208 HydrophobicContact CG2-CG2 4.13Å |
| 209 | S | 25.6 | Very low | 27.4 | Very low | 81 Ų | 81 | 97.6 Ų | 97.6 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | | | cis | -143.7 | 141.8 | -12.6 | -135.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 210 | S | 25.7 | Very low | 27.4 | Very low | 51 Ų | 51 | 97.8 Ų | 97.8 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | | | | 51.2 | 141.6 | 101.1 | 86.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 211 | E | 27.6 | Very low | 27.5 | Very low | 185 Ų | 185 | 96.2 Ų | 96.2 | 86% | 0.864 | 56% | 0.563 | S | S | * | * | | | trans | 71 | 149.4 | 162.8 | -59.4 | 179.2 | 169.6 | 0 | 0 | 117.7 | | |
| 212 | A | 28.8 | Very low | 27.2 | Very low | 91 Ų | 91 | 98.3 Ų | 98.3 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | | | cis | -159.8 | 128.5 | -27.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 213 | G | 29.9 | Very low | 27.3 | Very low | 70 Ų | 70 | 100.1 Ų | 100.1 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | | | trans | 70 | 175.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 214 | N | 29.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 100.7 Ų | 100.7 | 81% | 0.807 | 59% | 0.589 | S | S | * | * | | | trans | 48.5 | 87.8 | 155.3 | -51.3 | -25.9 | 0 | 0 | 0 | 116.3 | | |
| 215 | S | 25 | Very low | 27.6 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | | | | 65.6 | 164.8 | 67.4 | 92.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 216 | F | 28.4 | Very low | 28 | Very low | 171 Ų | 171 | 105.5 Ų | 105.5 | 75% | 0.75 | 62% | 0.62 | S | S | * | * | | | trans | 76.2 | 98.7 | -173.8 | -66.6 | -88.7 | 0 | 0 | 0 | 118.8 | | |
| 217 | K | 32.2 | Very low | 28.1 | Very low | 128 Ų | 128 | 106.1 Ų | 106.1 | 56% | 0.557 | 63% | 0.625 | S | S | * | * | | | | 70.3 | 108.6 | 116.6 | -67 | -160 | 176.4 | -177.3 | 0 | 121.7 | | |
| 218 | D | 28.3 | Very low | 28.2 | Very low | 23 Ų | 23 | 107.5 Ų | 107.5 | 12% | 0.123 | 64% | 0.636 | C | S | . | * | | | | 77.5 | 124.1 | 109.2 | -56.7 | -24.8 | 0 | 0 | 0 | 123.5 | T16 T17 G18 R19 | T16-D218 WeakPolarHBondContact CB-O 3.31Å; T17-D218 VanDerWaalsContact CA-OD2 3.3Å; T17-D218 WeakPolarHBondContact CA-OD2 3.48Å; G18-D218 PolarHBondContact N-OD1 3.41Å; G18-D218 PolarHBondContact N-OD2 2.97Å; R19-D218 WeakPolarHBondContact CB-OD1 3.48Å; R19-D218 PolarHBondContact N-OD1 2.84Å |
| 219 | L | 27.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 111.7 Ų | 111.7 | 48% | 0.482 | 65% | 0.649 | S | S | . | * | | | trans | 61.9 | 170.3 | 140 | -81.1 | 73.2 | 0 | 0 | 0 | 115.4 | T16 T17 | T16-L219 VanDerWaalsContact CG2-C 3.45Å; T16-L219 HydrophobicContact CG2-CB 3.74Å; T17-L219 VanDerWaalsContact O-CD2 3.31Å; T17-L219 WeakPolarHBondContact O-CD2 3.26Å |
| 220 | N | 26.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | | | cis | -139.3 | 156.9 | -17.5 | -128.2 | 3.3 | 0 | 0 | 0 | 109.7 | T16 | T16-N220 HydrophobicContact CG2-CB 4.2Š|
| 221 | T | 28.4 | Very low | 28.3 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | | | trans | 4.8 | 130.6 | 133.2 | -23 | 0 | 0 | 0 | 0 | 117.8 | | |
| 222 | L | 27.3 | Very low | 28.4 | Very low | 143 Ų | 143 | 113.4 Ų | 113.4 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | | | | -168.2 | 138.7 | 107.8 | -119.9 | 70 | 0 | 0 | 0 | 112.9 | | |
| 223 | D | 29.1 | Very low | 28.4 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | | | trans | 45.2 | 115.7 | 142.1 | -53.8 | -12.9 | 0 | 0 | 0 | 122.2 | | |
| 224 | S | 28.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | | | | 21.4 | 161.9 | 93 | -61.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 225 | P | 33.2 | Very low | 28.2 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | | | cis | -134.2 | -156.2 | 9.9 | 30.9 | -6 | 0 | 0 | 0 | 112.9 | | |
| 226 | N | 31.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | | | trans | 76.8 | 156.1 | 157.9 | -58.4 | -28.6 | 0 | 0 | 0 | 118 | | |
| 227 | S | 27.4 | Very low | 28.3 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | | | cis | -176.4 | 156 | -29.9 | -169.8 | 0 | 0 | 0 | 0 | 108 | | |
| 228 | C | 26.4 | Very low | 28.1 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 66% | 0.662 | 64% | 0.644 | S | S | * | * | | | trans | 53.5 | 107.8 | 157.4 | -70.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 229 | H | 26.6 | Very low | 28.3 | Very low | 181 Ų | 181 | 120 Ų | 120 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | | | | 71.7 | 168.6 | 122.3 | -77.5 | -77.6 | 0 | 0 | 0 | 122.5 | | |
| 230 | I | 28.4 | Very low | 28.4 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | | | trans | 85.7 | 84.9 | 163.6 | -43.3 | -168.8 | 0 | 0 | 0 | 116.2 | | |
| 231 | S | 23.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | | | trans | -55.3 | 133.2 | 159.9 | -8.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 232 | S | 30.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | | | trans | -160.4 | 98.4 | 154.3 | -87.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 233 | S | 27.9 | Very low | 28.6 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | | | | 51.1 | 124.7 | 110.2 | -57.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 234 | R | 28.7 | Very low | 28.6 | Very low | 227 Ų | 227 | 122.6 Ų | 122.6 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | | | trans | 86.4 | 130.8 | 148.3 | -66.9 | 177.9 | 174.7 | -153.8 | -3.1 | 119.9 | | |
| 235 | L | 26.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 60% | 0.602 | 69% | 0.687 | S | S | * | * | | | | 36.8 | 139.2 | 121.9 | -55.7 | 163.4 | 0 | 0 | 0 | 117.9 | | |
| 236 | Q | 29.7 | Very low | 28.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | cis | -157.2 | 148 | 35.8 | -125.8 | 133.2 | -19.9 | 0 | 0 | 111.5 | | |
| 237 | T | 25.3 | Very low | 28.2 | Very low | 40 Ų | 40 | 128.2 Ų | 128.2 | 25% | 0.245 | 70% | 0.696 | C | S | . | * | | | | 47.9 | 173.1 | 118.1 | -49.7 | 0 | 0 | 0 | 0 | 120.7 | S1433 F1435 | T237-S1433 WeakPolarHBondContact CG2-O 3.07Å; T237-F1435 VanDerWaalsContact N-CD2 3.33Å |
| 238 | I | 29.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 61% | 0.605 | 70% | 0.698 | S | S | * | * | | | trans | 76.8 | 126.5 | 177.4 | -52.3 | 171.8 | 0 | 0 | 0 | 111.7 | | |
| 239 | D | 30.7 | Very low | 28.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | | | cis | -142.3 | 151.1 | -4.5 | -96 | -21.4 | 0 | 0 | 0 | 107.7 | | |
| 240 | A | 31.2 | Very low | 28.5 | Very low | 46 Ų | 46 | 131.2 Ų | 131.2 | 38% | 0.38 | 69% | 0.691 | S | S | . | * | | | cis | 96.1 | 132.5 | 43.9 | 0 | 0 | 0 | 0 | 0 | 113 | T1432 | A240-T1432 HydrophobicContact CB-CG2 4.09Š|
| 241 | E | 30.3 | Very low | 28.8 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | | | trans | 53.6 | 124.2 | 173.3 | -72.2 | 155.7 | -152.1 | 0 | 0 | 117.5 | | |
| 242 | E | 25.9 | Very low | 29.2 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | | | cis | 103.1 | 135.5 | 44.8 | -172.5 | 168.4 | -115.1 | 0 | 0 | 111 | | |
| 243 | H | 30.1 | Very low | 29 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 83% | 0.833 | 70% | 0.703 | S | S | * | * | | | trans | 61.1 | 155.4 | -167.4 | -49.5 | -64 | 0 | 0 | 0 | 114.8 | | |
| 244 | G | 29 | Very low | 29.1 | Very low | 59 Ų | 59 | 140.7 Ų | 140.7 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | | | cis | -169.4 | 161.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 245 | D | 28.7 | Very low | 29.2 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | | | trans | 62.1 | -174.6 | 166.5 | -51.7 | -31.8 | 0 | 0 | 0 | 118.4 | | |
| 246 | E | 27.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | | | trans | -71.5 | -165.9 | -148.4 | -53.9 | -178.7 | 102.1 | 0 | 0 | 117.8 | | |
| 247 | V | 28.5 | Very low | 29.2 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | | | trans | 82.1 | 93.1 | 169.1 | -166.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 248 | L | 27.3 | Very low | 29.6 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | | | | 42.1 | 111.4 | 126.4 | -151.4 | 79.8 | 0 | 0 | 0 | 118.9 | | |
| 249 | H | 31.4 | Very low | 29.5 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | | | | 174 | 72.2 | 126 | -94.3 | -73.9 | 0 | 0 | 0 | 114.7 | | |
| 250 | K | 28.5 | Very low | 29.6 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 61% | 0.609 | 68% | 0.681 | S | S | * | * | | | trans | 42.7 | 84.1 | 131.3 | -166.5 | -169.7 | -62.4 | 176.9 | 0 | 117.8 | L202 | L202-K250 HydrophobicContact CD1-CD 3.86Å; L202-K250 VanDerWaalsContact CD2-NZ 3.32Å |
| 251 | K | 34.4 | Very low | 29.8 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 91% | 0.913 | 69% | 0.692 | S | S | * | * | | | trans | -128.9 | 132.7 | 156.4 | -142.5 | 163.7 | -171 | 169.9 | 0 | 110.8 | N253 | K251-N253 PolarHBondContact O-N 3.16Š|
| 252 | R | 31.2 | Very low | 29.9 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 91% | 0.913 | 69% | 0.692 | S | S | * | * | | | trans | -71 | 117.4 | -164.5 | -77.8 | 179 | 171.4 | 152.2 | -3.9 | 112.3 | | |
| 253 | N | 27.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | | | trans | -69.1 | 128.3 | 164.9 | -146.8 | -26.5 | 0 | 0 | 0 | 108.4 | K251 R255 | K251-N253 PolarHBondContact O-N 3.16Å; N253-R255 PolarHBondContact O-N 3.02Å |
| 254 | P | 29.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 131 Ų | 131 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | | | trans | -72.4 | 78.7 | 171.4 | 31.1 | -34.1 | 0 | 0 | 0 | 108.6 | T256 | P254-T256 PolarHBondContact O-N 2.74Š|
| 255 | R | 30.9 | Very low | 30.7 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -60.7 | 109.4 | 173.1 | -88.8 | -170.7 | 173.2 | -179.4 | -0.9 | 108.2 | N253 V257 | N253-R255 PolarHBondContact O-N 3.02Å; R255-V257 PolarHBondContact O-N 3.18Å |
| 256 | T | 26.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 133 Ų | 133 | 39% | 0.387 | 67% | 0.673 | S | S | . | * | | | trans | -52.5 | 85.4 | 158.4 | 27.7 | 0 | 0 | 0 | 0 | 109.5 | P254 S258 S681 N682 L683 | P254-T256 PolarHBondContact O-N 2.74Å; T256-S258 PolarHBondContact O-N 3.37Å; T256-S681 WeakPolarHBondContact O-CB 3.36Å; T256-S681 PolarHBondContact O-OG 2.8Å; T256-N682 PolarHBondContact O-OD1 3.28Å; T256-N682 WeakPolarHBondContact OG1-CA 3.16Å; T256-N682 PolarHBondContact OG1-OD1 2.81Å; T256-L683 PolarHBondContact OG1-N 2.96Å |
| 257 | V | 30.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | | | trans | -68.5 | 120.8 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | R255 | R255-V257 PolarHBondContact O-N 3.18Š|
| 258 | S | 31.7 | Very low | 31.1 | Very low | 16 Ų | 16 | 131.8 Ų | 131.8 | 11% | 0.112 | 67% | 0.668 | C | S | . | * | | | trans | -55.2 | 141.8 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | T256 Q260 S261 L680 | T256-S258 PolarHBondContact O-N 3.37Å; S258-Q260 PolarHBondContact O-N 3.25Å; S258-Q260 VanDerWaalsContact OG-CB 3.28Å; S258-Q260 WeakPolarHBondContact OG-CB 3.23Å; S258-Q260 PolarHBondContact OG-N 3.3Å; S258-S261 PolarHBondContact O-N 3.45Å; S258-L680 WeakPolarHBondContact OG-CA 3.26Å; S258-L680 PolarHBondContact OG-N 2.72Å |
| 259 | L | 27.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 92% | 0.916 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 4 | 166.3 | -74.5 | 165.9 | 0 | 0 | 0 | 114 | | |
| 260 | Q | 33.4 | Very low | 31 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 39% | 0.393 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10.6 | -178.7 | -155.2 | 60.6 | 67.6 | 0 | 0 | 114.8 | S258 | S258-Q260 PolarHBondContact O-N 3.25Å; S258-Q260 VanDerWaalsContact OG-CB 3.28Å; S258-Q260 WeakPolarHBondContact OG-CB 3.23Å; S258-Q260 PolarHBondContact OG-N 3.3Å |
| 261 | S | 36 | Very low | 30.9 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -114.7 | 8 | -165.9 | -165.2 | 0 | 0 | 0 | 0 | 116.1 | S258 | S258-S261 PolarHBondContact O-N 3.45Š|
| 262 | M | 31.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -108 | 22.9 | 172 | -61.4 | -163.1 | -56.2 | 0 | 0 | 112.3 | | |
| 263 | A | 34.2 | Very low | 30.3 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -90.8 | -18 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 264 | D | 32.7 | Very low | 30.3 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -111.9 | 5.7 | -158.9 | -56.1 | -60 | 0 | 0 | 0 | 115.2 | | |
| 265 | I | 35.2 | Very low | 30.2 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 88% | 0.882 | 69% | 0.688 | S | S | * | * | | | trans | -111.4 | 91.1 | 172.9 | -55.5 | -176 | 0 | 0 | 0 | 109.6 | | |
| 266 | L | 32 | Very low | 30.1 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 158.4 | 172.3 | -73.2 | 134.6 | 0 | 0 | 0 | 110.9 | F268 | L266-F268 HydrophobicContact CB-CD2 4.1Å; L266-F268 HydrophobicContact CB-CE2 4.32Å; L266-F268 HydrophobicContact CD1-CD2 4.26Å; L266-F268 HydrophobicContact CD1-CE1 4.3Å; L266-F268 HydrophobicContact CD1-CE2 3.77Å; L266-F268 HydrophobicContact CD1-CZ 3.8Å; L266-F268 HydrophobicContact CD2-CD1 4.05Å; L266-F268 HydrophobicContact CD2-CD2 4.15Å; L266-F268 HydrophobicContact CD2-CE1 4.34Å; L266-F268 HydrophobicContact CD2-CE2 4.43Å; L266-F268 HydrophobicContact CD2-CG 3.96Å; L266-F268 HydrophobicContact CG-CD2 4.4Å; L266-F268 HydrophobicContact CG-CE2 4.4Å |
| 267 | P | 31.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | | -99.6 | 145 | 84.7 | -21.5 | 35.8 | 0 | 0 | 0 | 115 | | |
| 268 | F | 29.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 151.2 | 172.1 | -69.6 | -99.5 | 0 | 0 | 0 | 110.7 | L266 | L266-F268 HydrophobicContact CB-CD2 4.1Å; L266-F268 HydrophobicContact CB-CE2 4.32Å; L266-F268 HydrophobicContact CD1-CD2 4.26Å; L266-F268 HydrophobicContact CD1-CE1 4.3Å; L266-F268 HydrophobicContact CD1-CE2 3.77Å; L266-F268 HydrophobicContact CD1-CZ 3.8Å; L266-F268 HydrophobicContact CD2-CD1 4.05Å; L266-F268 HydrophobicContact CD2-CD2 4.15Å; L266-F268 HydrophobicContact CD2-CE1 4.34Å; L266-F268 HydrophobicContact CD2-CE2 4.43Å; L266-F268 HydrophobicContact CD2-CG 3.96Å; L266-F268 HydrophobicContact CG-CD2 4.4Å; L266-F268 HydrophobicContact CG-CE2 4.4Å |
| 269 | F | 28.7 | Very low | 30.4 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | | | trans | 173.7 | 162.4 | 131.5 | -82.2 | -47.4 | 0 | 0 | 0 | 108.6 | | |
| 270 | P | 28.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | | | | -100.9 | 157.7 | -99.8 | -1 | 23.6 | 0 | 0 | 0 | 114.5 | C272 | P270-C272 PolarHBondContact O-N 3.45Š|
| 271 | S | 26.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -76.1 | 106.3 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | R273 | S271-R273 PolarHBondContact O-N 3.14Š|
| 272 | C | 26.1 | Very low | 30 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | -75.1 | 65.6 | 168.4 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | P270 | P270-C272 PolarHBondContact O-N 3.45Š|
| 273 | R | 27.5 | Very low | 29.9 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | trans | -119.6 | 43.2 | 178.1 | -141.5 | 174.7 | -162.6 | -113.6 | 3.4 | 114.3 | S271 | S271-R273 PolarHBondContact O-N 3.14Š|
| 274 | S | 26.8 | Very low | 29.5 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -146 | 137.6 | 159.4 | -170 | 0 | 0 | 0 | 0 | 104.7 | | |
| 275 | V | 28.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | S | Bend | cis | -131.1 | 112.9 | 40.1 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 276 | A | 28.2 | Very low | 29 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -141.1 | 4.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 277 | E | 32.2 | Very low | 28.9 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -145.5 | 31.5 | -177.4 | -136.3 | 156.8 | -148 | 0 | 0 | 114.4 | | |
| 278 | L | 31.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -108 | 82.7 | 137.8 | -80.3 | 173.1 | 0 | 0 | 0 | 105.5 | | |
| 279 | G | 30.6 | Very low | 29.1 | Very low | 50 Ų | 50 | 129.2 Ų | 129.2 | 52% | 0.515 | 80% | 0.802 | S | S | . | * | | | cis | 75.7 | 109.5 | 30.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | L281 | G279-L281 PolarHBondContact O-N 2.92Å; G279-L281 VanDerWaalsContact O-N 3.12Å |
| 280 | A | 31.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -58.7 | 111.3 | -153.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 281 | L | 27.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -165.7 | 57.9 | 156.9 | -108.1 | 170.5 | 0 | 0 | 0 | 111.9 | G279 | G279-L281 PolarHBondContact O-N 2.92Å; G279-L281 VanDerWaalsContact O-N 3.12Å |
| 282 | A | 29.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | | | trans | -135.5 | 20.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 283 | L | 30.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -99.2 | 131.8 | 159.4 | -78.4 | 169.8 | 0 | 0 | 0 | 107.6 | S285 | L283-S285 PolarHBondContact O-N 3.36Š|
| 284 | G | 25.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -65.6 | 127.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 285 | S | 31 | Very low | 31.3 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -153.6 | 86.6 | 168.2 | -73.7 | 0 | 0 | 0 | 0 | 109.3 | L283 | L283-S285 PolarHBondContact O-N 3.36Š|
| 286 | E | 26.3 | Very low | 31.6 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | 2.1 | 123.4 | 144.9 | -58.7 | 164.8 | -165.4 | 0 | 0 | 117 | | |
| 287 | S | 30.6 | Very low | 31.6 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | | -173.2 | 129 | 129.8 | 29.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 288 | S | 32.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | 48.4 | 114.4 | 142.8 | 62.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 289 | G | 32 | Very low | 32.1 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 84.7 | 154 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 290 | T | 34 | Very low | 32.3 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | cis | -165.2 | 148.1 | -8.9 | 24 | 0 | 0 | 0 | 0 | 106 | | |
| 291 | A | 34.2 | Very low | 32.2 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | | | cis | -160.3 | 177.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 292 | T | 35.5 | Very low | 32.5 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | 60.9 | 134.6 | 161.7 | 49 | 0 | 0 | 0 | 0 | 118.6 | | |
| 293 | H | 36.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | cis | -146.8 | 145.3 | 14.6 | -98.7 | -45.3 | 0 | 0 | 0 | 114 | | |
| 294 | K | 35.1 | Very low | 32.7 | Very low | 166 Ų | 166 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 50.1 | 113.2 | 141.3 | -60.1 | 170.1 | -177.6 | 171.8 | 0 | 119.6 | | |
| 295 | H | 35.9 | Very low | 33.2 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | | -177.5 | 86.7 | 114.8 | -98.1 | -79.7 | 0 | 0 | 0 | 108.3 | | |
| 296 | K | 34.8 | Very low | 33.3 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | 96.6 | 110 | 90 | -164.2 | 177 | -175.2 | -176 | 0 | 112.1 | | |
| 297 | F | 28.3 | Very low | 33.6 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | | | trans | -75.8 | 166.3 | -172.9 | -72.7 | -89.1 | 0 | 0 | 0 | 115 | | |
| 298 | P | 42.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -123.7 | 132.2 | 97.5 | 36 | -31.7 | 0 | 0 | 0 | 112.9 | | |
| 299 | N | 30.5 | Very low | 34 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | | 72.9 | 93.2 | 72.2 | -92.2 | 2.5 | 0 | 0 | 0 | 115.9 | | |
| 300 | A | 36 | Very low | 34.3 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | trans | -147.2 | 140.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 301 | T | 29 | Very low | 34.4 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -123.5 | 168.9 | -167.4 | -58 | 0 | 0 | 0 | 0 | 111.5 | | |
| 302 | L | 34.3 | Very low | 34.5 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | 105.9 | 146.9 | 162.6 | -57.3 | 166.9 | 0 | 0 | 0 | 115.8 | | |
| 303 | R | 32.7 | Very low | 34.3 | Very low | 223 Ų | 223 | 140 Ų | 140 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | cis | -161.1 | 145.4 | -31.6 | -165.1 | 172 | -179.4 | -174.2 | 1.8 | 109.8 | | |
| 304 | S | 31.1 | Very low | 34.3 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -46.7 | 145.9 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 305 | K | 35.4 | Very low | 34.1 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | | | | 159.7 | 162.9 | 129.9 | -90.3 | 170.5 | 178.8 | -174.5 | 0 | 110.6 | | |
| 306 | A | 32.1 | Very low | 34 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | | | cis | 179.3 | 173.9 | -30.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 307 | C | 34.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | 71.9 | 155.5 | 172.2 | -54.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 308 | S | 33.7 | Very low | 34.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | cis | 176.7 | 131.6 | -37.9 | -97.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 309 | G | 36.3 | Very low | 34.2 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | 171.5 | 90.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 310 | T | 37.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | -5.6 | 141.9 | 147.6 | 55.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 311 | N | 37.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -167.7 | -170.1 | 7.9 | -105.8 | -3.3 | 0 | 0 | 0 | 107.7 | | |
| 312 | L | 35.7 | Very low | 33.9 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | cis | -157.2 | -171.4 | 15.5 | -137.2 | 147.3 | 0 | 0 | 0 | 110.3 | | |
| 313 | C | 31.5 | Very low | 33.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | | | trans | -79.6 | 170.4 | 177.6 | -44.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 314 | N | 35.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | | | cis | -133.7 | 145.5 | 10 | -73.7 | -64.6 | 0 | 0 | 0 | 108.7 | | |
| 315 | I | 31.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | | | | 62.8 | 102 | 59.4 | -54.8 | 173.9 | 0 | 0 | 0 | 113.6 | | |
| 316 | S | 33.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | -167 | 106.2 | 116.9 | -142.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 317 | T | 37.8 | Very low | 33.2 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | | | | 53.5 | 121.5 | 125.7 | 62.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 318 | K | 37.7 | Very low | 32.9 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 74% | 0.735 | 74% | 0.736 | S | S | * | * | | | | 72.3 | 150.9 | 118.2 | -65.8 | -179.3 | 151.5 | -80.4 | 0 | 118.5 | | |
| 319 | D | 33.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | | | cis | -166.7 | 169.6 | -11 | -95.7 | -17.7 | 0 | 0 | 0 | 104.7 | | |
| 320 | S | 29.1 | Very low | 32.6 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | | | cis | 170.4 | 140.5 | -27.3 | 66 | 0 | 0 | 0 | 0 | 106.3 | | |
| 321 | I | 29.3 | Very low | 32.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | | | trans | 86.2 | 143.1 | 148.3 | -64 | 160.4 | 0 | 0 | 0 | 121.7 | | |
| 322 | S | 31.2 | Very low | 31.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | | | trans | 68.4 | 100.8 | 156.6 | 63.9 | 0 | 0 | 0 | 0 | 124.5 | | |
| 323 | N | 28.5 | Very low | 31.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | | 36.2 | 121.5 | 112.1 | -50.9 | -1.8 | 0 | 0 | 0 | 121.9 | | |
| 324 | V | 32.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 131 Ų | 131 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | | | trans | -148.7 | 146.7 | 133.1 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 325 | L | 29.3 | Very low | 31 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | | | trans | -89.5 | 146 | 174.9 | -80.3 | 65 | 0 | 0 | 0 | 112.3 | | |
| 326 | R | 30.9 | Very low | 31.1 | Very low | 227 Ų | 227 | 125.7 Ų | 125.7 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | | | | 176.1 | 136.1 | 114.9 | -97.2 | -167.6 | 172.3 | 163.9 | -0.3 | 115.8 | | |
| 327 | D | 30.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | | | trans | 51.2 | 109 | 139.9 | -61.4 | -53.2 | 0 | 0 | 0 | 124.7 | | |
| 328 | R | 28.6 | Very low | 30.5 | Very low | 215 Ų | 215 | 123.8 Ų | 123.8 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | | | | 50.6 | 108 | 121.6 | -59.1 | 178.2 | -179.7 | -161.3 | -0.9 | 119.7 | | |
| 329 | S | 29.1 | Very low | 30.1 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 49% | 0.49 | 69% | 0.688 | S | S | . | * | | | | 174.5 | 164.2 | 92.9 | -75.8 | 0 | 0 | 0 | 0 | 112.9 | H675 | S329-H675 VanDerWaalsContact CB-CD2 3.49Å; S329-H675 WeakPolarHBondContact CB-CD2 3.41Å; S329-H675 WeakPolarHBondContact CB-ND1 3.44Å |
| 330 | P | 33 | Very low | 30 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | trans | -127 | 117.5 | -170.8 | 36.1 | -17.8 | 0 | 0 | 0 | 115.7 | | |
| 331 | I | 29.5 | Very low | 30 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | | | trans | -139.5 | 130.4 | 158.1 | -63.9 | 173.1 | 0 | 0 | 0 | 107.3 | | |
| 332 | G | 29.3 | Very low | 30.2 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | | | trans | -180 | 69.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 333 | S | 26.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | -48.4 | 145.5 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 334 | L | 29.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | | | trans | 86.3 | 139.4 | 134.3 | -148.7 | 75.2 | 0 | 0 | 0 | 122.1 | | |
| 335 | D | 29.8 | Very low | 30.4 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 37% | 0.374 | 72% | 0.715 | S | S | . | * | | | trans | 84.4 | 166.3 | 152.2 | -138.2 | -6.9 | 0 | 0 | 0 | 121.7 | S645 | D335-S645 WeakPolarHBondContact CA-OG 3.23Å; D335-S645 VanDerWaalsContact OD1-CB 3.32Å; D335-S645 WeakPolarHBondContact OD1-CB 3.47Å; D335-S645 PolarHBondContact OD1-N 3.45Å; D335-S645 PolarHBondContact OD1-OG 2.98Å; D335-S645 PolarHBondContact OD2-N 2.88Å |
| 336 | L | 33.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | | | trans | 81.5 | 76.7 | 171.9 | -78 | 74.3 | 0 | 0 | 0 | 120.3 | T338 L643 | L336-T338 PolarHBondContact O-N 3.05Å; L336-L643 HydrophobicContact CB-CD1 4.07Å; L336-L643 HydrophobicContact CG-CB 4.25Å; L336-L643 HydrophobicContact CG-CD1 3.92Å |
| 337 | A | 25 | Very low | 31 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -73 | 97.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113 | L643 | A337-L643 HydrophobicContact CB-CD2 3.99Å; A337-L643 VanDerWaalsContact O-CD1 3.25Å; A337-L643 WeakPolarHBondContact O-CD1 3.48Å; A337-L643 WeakPolarHBondContact O-CD2 3.37Å |
| 338 | T | 32.9 | Very low | 31.4 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 44% | 0.442 | 71% | 0.71 | S | S | . | * | | | trans | -132.6 | 136.3 | -178.2 | -29.5 | 0 | 0 | 0 | 0 | 114.3 | L336 A340 P641 L643 | L336-T338 PolarHBondContact O-N 3.05Å; T338-A340 PolarHBondContact O-N 3.44Å; T338-P641 HydrophobicContact CG2-CB 4.04Å; T338-P641 HydrophobicContact CG2-CG 3.62Å; T338-L643 HydrophobicContact CG2-CD1 4.43Å; T338-L643 WeakPolarHBondContact OG1-CD1 3.2Å |
| 339 | H | 29.4 | Very low | 32 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | | | trans | -56 | 129.9 | 174.8 | -82.2 | -57 | 0 | 0 | 0 | 113.8 | | |
| 340 | A | 33.6 | Very low | 32.7 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | | | trans | -105.7 | 124.9 | 139 | 0 | 0 | 0 | 0 | 0 | 108.3 | T338 | T338-A340 PolarHBondContact O-N 3.44Š|
| 341 | R | 27.8 | Very low | 33.5 | Very low | 203 Ų | 203 | 126 Ų | 126 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | | | trans | -106.2 | 126.1 | 169.1 | -70.9 | -173.3 | -177.6 | -165.5 | -0.6 | 108.5 | | |
| 342 | Y | 34.3 | Very low | 34.7 | Very low | 238 Ų | 238 | 123.7 Ų | 123.7 | 93% | 0.933 | 67% | 0.674 | S | S | * | * | | | trans | -108.2 | 153.6 | 152.7 | -97.2 | -89.3 | 0 | 0 | 0 | 110.2 | | |
| 343 | Q | 29.9 | Very low | 36 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 66% | 0.66 | S | S | * | * | | | trans | -99.2 | 133.7 | -169.3 | -64.5 | 173.6 | -27.6 | 0 | 0 | 110.5 | | |
| 344 | N | 32.1 | Very low | 37 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | | | trans | -148.2 | 124.8 | 158.5 | -144.8 | -7.3 | 0 | 0 | 0 | 108.5 | F346 | N344-F346 PolarHBondContact O-N 3.08Å; N344-F346 VanDerWaalsContact O-N 3.13Å |
| 345 | P | 34.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | | | trans | -81.8 | 93.9 | -172.3 | 31.4 | -33.7 | 0 | 0 | 0 | 111.5 | | |
| 346 | F | 35 | Very low | 40.2 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 80% | 0.803 | 64% | 0.643 | S | S | * | * | | | trans | -62.4 | 139.2 | 175.1 | -88.7 | -92.1 | 0 | 0 | 0 | 112.5 | N344 A348 | N344-F346 PolarHBondContact O-N 3.08Å; N344-F346 VanDerWaalsContact O-N 3.13Å; F346-A348 PolarHBondContact O-N 2.76Å |
| 347 | K | 36.5 | Very low | 41.7 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 70% | 0.704 | 65% | 0.649 | S | S | * | * | | | trans | -63 | 127 | -174 | -60.4 | 177.9 | -179.7 | 176.2 | 0 | 111.4 | S349 N350 | K347-S349 WeakPolarHBondContact CB-OG 3.46Å; K347-S349 PolarHBondContact O-N 2.73Å; K347-N350 PolarHBondContact O-N 3.37Å |
| 348 | A | 40.1 | Very low | 43.8 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.4 | -19.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F346 N350 I351 H352 | F346-A348 PolarHBondContact O-N 2.76Å; A348-N350 PolarHBondContact O-N 2.8Å; A348-I351 PolarHBondContact O-N 3.42Å; A348-H352 PolarHBondContact O-N 3.21Å |
| 349 | S | 40.2 | Very low | 46 | Very low | 63 Ų | 63 | 135 Ų | 135 | 44% | 0.441 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -54 | -51.9 | 175.9 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | K347 I351 H352 E353 | K347-S349 WeakPolarHBondContact CB-OG 3.46Å; K347-S349 PolarHBondContact O-N 2.73Å; S349-I351 PolarHBondContact O-N 3.5Å; S349-H352 PolarHBondContact O-N 2.96Å; S349-E353 WeakPolarHBondContact O-CB 3.37Å; S349-E353 PolarHBondContact O-N 2.67Å |
| 350 | N | 43.2 | Very low | 47.8 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66 | -27.2 | -171.3 | -63.8 | 50.3 | 0 | 0 | 0 | 112.1 | K347 A348 A354 | K347-N350 PolarHBondContact O-N 3.37Å; A348-N350 PolarHBondContact O-N 2.8Å; N350-A354 VanDerWaalsContact O-CB 3.22Å; N350-A354 WeakPolarHBondContact O-CB 3.46Å; N350-A354 PolarHBondContact O-N 3.13Å |
| 351 | I | 50.1 | Low | 49.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.3 | -41.4 | 174.9 | -59.4 | 176.5 | 0 | 0 | 0 | 110.5 | A348 S349 S355 | A348-I351 PolarHBondContact O-N 3.42Å; S349-I351 PolarHBondContact O-N 3.5Å; I351-S355 WeakPolarHBondContact O-CB 3.19Å; I351-S355 PolarHBondContact O-N 2.95Å |
| 352 | H | 56.2 | Low | 51.8 | Low | 110 Ų | 110 | 124 Ų | 124 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.5 | -38.3 | 176.7 | -171.9 | 35.5 | 0 | 0 | 0 | 111.7 | A348 S349 S355 R356 | A348-H352 PolarHBondContact O-N 3.21Å; S349-H352 PolarHBondContact O-N 2.96Å; H352-S355 WeakPolarHBondContact CA-OG 3.17Å; H352-S355 PolarHBondContact ND1-OG 3.38Å; H352-S355 WeakPolarHBondContact O-CB 3.25Å; H352-S355 PolarHBondContact O-N 3.04Å; H352-S355 VanDerWaalsContact O-N 3.16Å; H352-S355 PolarHBondContact O-OG 3.28Å; H352-R356 PolarHBondContact O-N 3.25Å |
| 353 | E | 54.7 | Low | 53.6 | Low | 103 Ų | 103 | 116 Ų | 116 | 48% | 0.481 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62 | -49.9 | 174 | -174.1 | 161.5 | -141 | 0 | 0 | 111.9 | S349 S355 R356 Y357 | S349-E353 WeakPolarHBondContact O-CB 3.37Å; S349-E353 PolarHBondContact O-N 2.67Å; E353-S355 PolarHBondContact O-N 3.45Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.18Å; E353-Y357 HydrophobicContact CG-CD2 3.98Å; E353-Y357 HydrophobicContact CG-CE2 3.74Å; E353-Y357 WeakPolarHBondContact O-CD2 3.46Å; E353-Y357 PolarHBondContact O-N 2.9Å |
| 354 | A | 48.9 | Very low | 55.8 | Low | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.5 | -32.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | N350 R358 | N350-A354 VanDerWaalsContact O-CB 3.22Å; N350-A354 WeakPolarHBondContact O-CB 3.46Å; N350-A354 PolarHBondContact O-N 3.13Å; A354-R358 WeakPolarHBondContact O-CB 3.15Å; A354-R358 VanDerWaalsContact O-CG 3.29Å; A354-R358 WeakPolarHBondContact O-CG 3.28Å; A354-R358 PolarHBondContact O-N 3.31Å |
| 355 | S | 59.3 | Low | 57.8 | Low | 50 Ų | 50 | 109.7 Ų | 109.7 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.7 | -39 | 173.5 | 79.5 | 0 | 0 | 0 | 0 | 112.7 | I351 H352 E353 R358 Q359 | I351-S355 WeakPolarHBondContact O-CB 3.19Å; I351-S355 PolarHBondContact O-N 2.95Å; H352-S355 WeakPolarHBondContact CA-OG 3.17Å; H352-S355 PolarHBondContact ND1-OG 3.38Å; H352-S355 WeakPolarHBondContact O-CB 3.25Å; H352-S355 PolarHBondContact O-N 3.04Å; H352-S355 VanDerWaalsContact O-N 3.16Å; H352-S355 PolarHBondContact O-OG 3.28Å; E353-S355 PolarHBondContact O-N 3.45Å; S355-R358 PolarHBondContact O-N 3.32Å; S355-Q359 WeakPolarHBondContact O-CB 3.3Å; S355-Q359 PolarHBondContact O-N 2.63Å |
| 356 | R | 66.3 | Low | 59.6 | Low | 168 Ų | 168 | 112.9 Ų | 112.9 | 63% | 0.634 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -47.8 | 173.4 | -72.5 | -169.1 | -179.7 | -155.8 | 1.5 | 111.5 | H352 E353 R358 Q359 A360 | H352-R356 PolarHBondContact O-N 3.25Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.18Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.79Å; R356-Q359 PolarHBondContact O-N 3.05Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; R356-A360 WeakPolarHBondContact O-CB 3.43Å; R356-A360 PolarHBondContact O-N 3.22Å |
| 357 | Y | 66 | Low | 61.3 | Low | 168 Ų | 168 | 106.6 Ų | 106.6 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 178.1 | -80.6 | -70.9 | 0 | 0 | 0 | 112.5 | E353 Y361 | E353-Y357 HydrophobicContact CG-CD2 3.98Å; E353-Y357 HydrophobicContact CG-CE2 3.74Å; E353-Y357 WeakPolarHBondContact O-CD2 3.46Å; E353-Y357 PolarHBondContact O-N 2.9Å; Y357-Y361 WeakPolarHBondContact O-CB 3.33Å; Y357-Y361 PolarHBondContact O-N 3.43Å |
| 358 | R | 69.4 | Low | 62.9 | Low | 189 Ų | 189 | 103.2 Ų | 103.2 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 172.5 | -75.2 | 174.4 | 178.1 | -162.6 | -2.3 | 112.3 | A354 S355 R356 L362 | A354-R358 WeakPolarHBondContact O-CB 3.15Å; A354-R358 VanDerWaalsContact O-CG 3.29Å; A354-R358 WeakPolarHBondContact O-CG 3.28Å; A354-R358 PolarHBondContact O-N 3.31Å; S355-R358 PolarHBondContact O-N 3.32Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.79Å; R358-L362 WeakPolarHBondContact O-CB 3.34Å; R358-L362 VanDerWaalsContact O-CG 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 3.48Å |
| 359 | Q | 77.5 | Confident | 64.4 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 178.9 | -169.6 | 170.9 | 1.4 | 0 | 0 | 112.1 | S355 R356 L362 S363 | S355-Q359 WeakPolarHBondContact O-CB 3.3Å; S355-Q359 PolarHBondContact O-N 2.63Å; R356-Q359 PolarHBondContact O-N 3.05Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; Q359-L362 PolarHBondContact O-N 2.97Å; Q359-S363 PolarHBondContact O-N 3.26Å; Q359-S363 PolarHBondContact O-OG 3.37Å |
| 360 | A | 68.3 | Low | 65.3 | Low | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R356 L362 S363 V364 | R356-A360 WeakPolarHBondContact O-CB 3.43Å; R356-A360 PolarHBondContact O-N 3.22Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.28Å; A360-S363 WeakPolarHBondContact CA-OG 3.3Å; A360-S363 PolarHBondContact O-N 3.37Å; A360-S363 PolarHBondContact O-OG 3.09Å; A360-V364 WeakPolarHBondContact O-CG2 3.31Å; A360-V364 PolarHBondContact O-N 3.44Å |
| 361 | Y | 71.3 | Confident | 66.3 | Low | 81 Ų | 81 | 107.1 Ų | 107.1 | 32% | 0.318 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 177.1 | -170 | -120.1 | 0 | 0 | 0 | 112.2 | R92 Y357 R365 | R92-Y361 VanDerWaalsContact NH2-CE1 3.25Å; Y357-Y361 WeakPolarHBondContact O-CB 3.33Å; Y357-Y361 PolarHBondContact O-N 3.43Å; Y361-R365 VanDerWaalsContact CE1-NH2 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.06Å; Y361-R365 PolarHBondContact O-N 3.45Å; Y361-R365 PolarHBondContact OH-NH2 3.2Å |
| 362 | L | 74.3 | Confident | 66.3 | Low | 99 Ų | 99 | 105.4 Ų | 105.4 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 171.2 | -74.8 | 170 | 0 | 0 | 0 | 113 | R358 Q359 A360 R366 | R358-L362 WeakPolarHBondContact O-CB 3.34Å; R358-L362 VanDerWaalsContact O-CG 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 3.48Å; Q359-L362 PolarHBondContact O-N 2.97Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.22Å; L362-R366 PolarHBondContact O-N 2.84Å |
| 363 | S | 71.7 | Confident | 65.9 | Low | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 175 | 55.5 | 0 | 0 | 0 | 0 | 112 | Q359 A360 R366 A367 | Q359-S363 PolarHBondContact O-N 3.26Å; Q359-S363 PolarHBondContact O-OG 3.37Å; A360-S363 WeakPolarHBondContact CA-OG 3.3Å; A360-S363 PolarHBondContact O-N 3.37Å; A360-S363 PolarHBondContact O-OG 3.09Å; S363-R366 PolarHBondContact O-N 2.65Å; S363-A367 WeakPolarHBondContact O-CB 3.48Å; S363-A367 PolarHBondContact O-N 3.4Å |
| 364 | V | 75.7 | Confident | 65.6 | Low | 77 Ų | 77 | 104.3 Ų | 104.3 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 173 | 172.4 | 0 | 0 | 0 | 0 | 111 | A360 R366 A367 N368 | A360-V364 WeakPolarHBondContact O-CG2 3.31Å; A360-V364 PolarHBondContact O-N 3.44Å; V364-R366 PolarHBondContact O-N 3.07Å; V364-A367 PolarHBondContact O-N 2.91Å; V364-N368 PolarHBondContact O-N 3.24Å |
| 365 | R | 73.3 | Confident | 65.3 | Low | 114 Ų | 114 | 110 Ų | 110 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.9 | -168.3 | -177.8 | -72.9 | -178.4 | -9.3 | 112.2 | Y361 N368 Q369 | Y361-R365 VanDerWaalsContact CE1-NH2 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.06Å; Y361-R365 PolarHBondContact O-N 3.45Å; Y361-R365 PolarHBondContact OH-NH2 3.2Å; R365-N368 PolarHBondContact O-N 3.12Å; R365-Q369 WeakPolarHBondContact O-CG 3.32Å; R365-Q369 PolarHBondContact O-N 3.4Å |
| 366 | R | 73.6 | Confident | 64.4 | Low | 190 Ų | 190 | 111.3 Ų | 111.3 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 172.6 | -77.2 | -179.2 | 178 | -176.9 | -0.6 | 112.6 | L362 S363 V364 N368 Q369 A370 | L362-R366 WeakPolarHBondContact O-CG 3.22Å; L362-R366 PolarHBondContact O-N 2.84Å; S363-R366 PolarHBondContact O-N 2.65Å; V364-R366 PolarHBondContact O-N 3.07Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 3.26Å; R366-Q369 PolarHBondContact O-N 2.75Å; R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.13Å |
| 367 | A | 70.1 | Confident | 63 | Low | 51 Ų | 51 | 108.4 Ų | 108.4 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S363 V364 A370 K371 | S363-A367 WeakPolarHBondContact O-CB 3.48Å; S363-A367 PolarHBondContact O-N 3.4Å; V364-A367 PolarHBondContact O-N 2.91Å; A367-A370 PolarHBondContact O-N 3.48Å; A367-K371 PolarHBondContact O-N 3.26Å |
| 368 | N | 71.1 | Confident | 61.5 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.2 | -41.1 | 174.5 | -72.2 | 2.3 | 0 | 0 | 0 | 111.9 | V364 R365 R366 A370 K371 V372 | V364-N368 PolarHBondContact O-N 3.24Å; R365-N368 PolarHBondContact O-N 3.12Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 3.26Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.83Å; N368-K371 PolarHBondContact O-N 2.82Å; N368-V372 WeakPolarHBondContact O-CG2 3.34Å; N368-V372 PolarHBondContact O-N 3.11Å |
| 369 | Q | 70.5 | Confident | 59.7 | Low | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 171.6 | -75.6 | 178.1 | -44.1 | 0 | 0 | 111.7 | R365 R366 V372 L373 | R365-Q369 WeakPolarHBondContact O-CG 3.32Å; R365-Q369 PolarHBondContact O-N 3.4Å; R366-Q369 PolarHBondContact O-N 2.75Å; Q369-V372 PolarHBondContact O-N 2.8Å; Q369-L373 WeakPolarHBondContact O-CG 3.32Å; Q369-L373 PolarHBondContact O-N 2.73Å |
| 370 | A | 60.7 | Low | 57.5 | Low | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -46.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R366 A367 N368 V372 L373 S374 | R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.13Å; A367-A370 PolarHBondContact O-N 3.48Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.83Å; A370-V372 VanDerWaalsContact C-N 3.33Å; A370-V372 PolarHBondContact O-N 3.49Å; A370-L373 PolarHBondContact O-N 3.2Å; A370-S374 WeakPolarHBondContact O-CB 3.47Å; A370-S374 PolarHBondContact O-N 3.02Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.06Å |
| 371 | K | 62.5 | Low | 55.6 | Low | 153 Ų | 153 | 99.2 Ų | 99.2 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60 | -37.8 | 175.8 | -84 | -172 | 172.1 | -173.8 | 0 | 113.5 | A367 N368 K375 | A367-K371 PolarHBondContact O-N 3.26Å; N368-K371 PolarHBondContact O-N 2.82Å; K371-K375 WeakPolarHBondContact O-CG 3.49Å; K371-K375 PolarHBondContact O-N 3.42Å |
| 372 | V | 50.3 | Low | 53.4 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -49.8 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | N368 Q369 A370 S374 K375 S376 | N368-V372 WeakPolarHBondContact O-CG2 3.34Å; N368-V372 PolarHBondContact O-N 3.11Å; Q369-V372 PolarHBondContact O-N 2.8Å; A370-V372 VanDerWaalsContact C-N 3.33Å; A370-V372 PolarHBondContact O-N 3.49Å; V372-S374 PolarHBondContact O-N 2.74Å; V372-K375 PolarHBondContact O-N 3.03Å; V372-K375 VanDerWaalsContact O-N 3.12Å; V372-S376 PolarHBondContact O-N 3.01Å; V372-S376 PolarHBondContact O-OG 2.98Å |
| 373 | L | 47.4 | Very low | 51.3 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 61% | 0.613 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.7 | -42.3 | 177.5 | -69.5 | 168.3 | 0 | 0 | 0 | 112.2 | Q369 A370 K375 S376 T377 | Q369-L373 WeakPolarHBondContact O-CG 3.32Å; Q369-L373 PolarHBondContact O-N 2.73Å; A370-L373 PolarHBondContact O-N 3.2Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 2.89Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.16Å; L373-T377 PolarHBondContact O-N 3.45Å; L373-T377 PolarHBondContact O-OG1 2.95Å |
| 374 | S | 48.9 | Very low | 49.1 | Very low | 73 Ų | 73 | 110 Ų | 110 | 51% | 0.51 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.4 | -29.4 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | A370 V372 T377 A378 | A370-S374 WeakPolarHBondContact O-CB 3.47Å; A370-S374 PolarHBondContact O-N 3.02Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.06Å; V372-S374 PolarHBondContact O-N 2.74Å; S374-T377 WeakPolarHBondContact CA-OG1 3.31Å; S374-T377 PolarHBondContact O-OG1 3.03Å; S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.42Å |
| 375 | K | 43.7 | Very low | 47.1 | Very low | 167 Ų | 167 | 113.1 Ų | 113.1 | 73% | 0.726 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.9 | -42.8 | 169.3 | -80.6 | -169.6 | 169.8 | -161.2 | 0 | 111.2 | K371 V372 L373 T377 A378 S379 | K371-K375 WeakPolarHBondContact O-CG 3.49Å; K371-K375 PolarHBondContact O-N 3.42Å; V372-K375 PolarHBondContact O-N 3.03Å; V372-K375 VanDerWaalsContact O-N 3.12Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 2.89Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 3.03Å; K375-A378 PolarHBondContact O-N 2.74Å; K375-S379 PolarHBondContact O-N 3.46Å |
| 376 | S | 38.9 | Very low | 44.9 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.7 | -26.5 | 176 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | V372 L373 | V372-S376 PolarHBondContact O-N 3.01Å; V372-S376 PolarHBondContact O-OG 2.98Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.16Å |
| 377 | T | 38.1 | Very low | 42.8 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.6 | 171 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | L373 S374 K375 | L373-T377 PolarHBondContact O-N 3.45Å; L373-T377 PolarHBondContact O-OG1 2.95Å; S374-T377 WeakPolarHBondContact CA-OG1 3.31Å; S374-T377 PolarHBondContact O-OG1 3.03Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 3.03Å |
| 378 | A | 34.6 | Very low | 41 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -5.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S374 K375 | S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.42Å; K375-A378 PolarHBondContact O-N 2.74Å |
| 379 | S | 30.5 | Very low | 39 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | | | trans | -107.7 | 24.4 | 174.4 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | K375 G381 | K375-S379 PolarHBondContact O-N 3.46Å; S379-G381 PolarHBondContact O-N 3.39Å |
| 380 | T | 31.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | | | trans | -75.6 | 67.7 | 161.9 | -50.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 381 | G | 29.1 | Very low | 35.9 | Very low | 56 Ų | 56 | 130 Ų | 130 | 58% | 0.577 | 72% | 0.723 | S | S | * | * | | | trans | -63.1 | 146.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S379 F383 | S379-G381 PolarHBondContact O-N 3.39Å; G381-F383 PolarHBondContact O-N 3.29Å; G381-F383 VanDerWaalsContact O-N 3.07Å |
| 382 | E | 26.3 | Very low | 34.3 | Very low | 184 Ų | 184 | 126 Ų | 126 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | | | trans | -68.9 | 103.6 | -175 | -62.1 | 168.5 | 130.2 | 0 | 0 | 110.5 | S384 | E382-S384 PolarHBondContact O-N 2.89Š|
| 383 | F | 28.3 | Very low | 33.4 | Very low | 210 Ų | 210 | 129.1 Ų | 129.1 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | | | trans | -72.3 | 71.1 | 166.9 | -99.2 | -84.8 | 0 | 0 | 0 | 110.5 | G381 V385 | G381-F383 PolarHBondContact O-N 3.29Å; G381-F383 VanDerWaalsContact O-N 3.07Å; F383-V385 PolarHBondContact O-N 2.82Å |
| 384 | S | 27.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 56% | 0.559 | 74% | 0.742 | S | S | * | * | | | trans | -71 | 102.2 | 169.8 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | E382 F386 | E382-S384 PolarHBondContact O-N 2.89Å; S384-F386 PolarHBondContact O-N 3.33Å; S384-F386 VanDerWaalsContact O-N 3.11Å |
| 385 | V | 32 | Very low | 31.7 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | | | trans | -71.4 | 105.1 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | F383 | F383-V385 PolarHBondContact O-N 2.82Š|
| 386 | F | 28.5 | Very low | 30.9 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | | | trans | -81.8 | 142 | -173.3 | -109.7 | -91.5 | 0 | 0 | 0 | 113.5 | S384 | S384-F386 PolarHBondContact O-N 3.33Å; S384-F386 VanDerWaalsContact O-N 3.11Å |
| 387 | N | 27.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | 47.4 | 110.2 | 156.2 | -71.4 | -11.7 | 0 | 0 | 0 | 120.5 | | |
| 388 | A | 33.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -122.8 | 142 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 389 | K | 30.1 | Very low | 30.1 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -62.1 | 144.8 | -168.9 | -63 | 169.4 | 179.7 | 172.5 | 0 | 113.4 | | |
| 390 | N | 32.8 | Very low | 29.8 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -147.5 | 134.3 | 131.9 | -102.3 | -30.7 | 0 | 0 | 0 | 110.5 | | |
| 391 | Q | 31.9 | Very low | 29.5 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -103.7 | 159.6 | 173.3 | -72.3 | 178.3 | -29.3 | 0 | 0 | 109.6 | | |
| 392 | G | 28.6 | Very low | 29.4 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 111.6 | 124 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 393 | N | 32.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | 46.6 | 101.6 | 154.5 | -63.5 | 1.3 | 0 | 0 | 0 | 119.5 | | |
| 394 | A | 30.1 | Very low | 29.7 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | | 42.7 | 145.6 | 97.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 395 | D | 30.2 | Very low | 29.7 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | 71.6 | 96.7 | 161.3 | -67.7 | -45.3 | 0 | 0 | 0 | 119.9 | | |
| 396 | N | 27.9 | Very low | 29.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | | 57.5 | 82.4 | 119.5 | -65.7 | -50.2 | 0 | 0 | 0 | 118.1 | | |
| 397 | Q | 34.8 | Very low | 29.9 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | | -152.5 | 125.8 | 127.6 | -116.2 | 141.8 | 110.1 | 0 | 0 | 115.7 | V399 | Q397-V399 PolarHBondContact O-N 3.19Š|
| 398 | H | 25.4 | Very low | 29.9 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 119.2 | 173.9 | 151.5 | -68 | 0 | 0 | 0 | 111 | | |
| 399 | V | 33.9 | Very low | 29.9 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -132.9 | 118.7 | 156.4 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | Q397 | Q397-V399 PolarHBondContact O-N 3.19Š|
| 400 | S | 24.7 | Very low | 29.8 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 43% | 0.427 | 77% | 0.768 | S | S | . | * | | | trans | -95.4 | -177.7 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 401 | Y | 25.3 | Very low | 29.5 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | trans | 73.5 | 142.1 | 170.6 | -40.9 | -72.8 | 0 | 0 | 0 | 115.5 | | |
| 402 | Q | 25.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -160 | 147.4 | -11.7 | -124.5 | 171.9 | 15.9 | 0 | 0 | 108.9 | P404 | Q402-P404 WeakPolarHBondContact O-CD 3.43Š|
| 403 | P | 25.9 | Very low | 29 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 123.3 | 171.4 | 28.3 | -33.4 | 0 | 0 | 0 | 111.3 | R405 | P403-R405 PolarHBondContact O-N 2.88Š|
| 404 | P | 35.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65 | 130.2 | 174.2 | -21.7 | 34.9 | 0 | 0 | 0 | 111.4 | Q402 | Q402-P404 WeakPolarHBondContact O-CD 3.43Š|
| 405 | R | 27.9 | Very low | 28.5 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 150.3 | -175.3 | -65.8 | 170.3 | 174.2 | 158.1 | -4.3 | 112.1 | P403 | P403-R405 PolarHBondContact O-N 2.88Š|
| 406 | S | 31.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.8 | 171.8 | 59 | 0 | 0 | 0 | 0 | 113.9 | | |
| 407 | P | 32.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -113.1 | 151.3 | 142 | 34 | -26.6 | 0 | 0 | 0 | 113.3 | | |
| 408 | Q | 28.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | trans | -50.9 | 163.2 | -168.8 | -71.5 | -174.3 | -85.1 | 0 | 0 | 119.3 | | |
| 409 | P | 32.5 | Very low | 27.8 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | trans | -73.4 | 154.9 | 173.2 | 32.8 | -38.1 | 0 | 0 | 0 | 113.6 | | |
| 410 | T | 27.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 137 Ų | 137 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | | | trans | -148.4 | 142.3 | 161.1 | -74.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 411 | A | 27.4 | Very low | 27.7 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -72.1 | 131 | -171 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 412 | G | 23.6 | Very low | 27.6 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | 167 | 30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 413 | M | 25.7 | Very low | 27.7 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -98.8 | 93 | 173.9 | -109.4 | 177.9 | 168.3 | 0 | 0 | 111.1 | | |
| 414 | E | 23.3 | Very low | 27.7 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -62.2 | 125.2 | 158.2 | -157.9 | -176 | -138 | 0 | 0 | 107.8 | T416 | E414-T416 WeakPolarHBondContact CB-OG1 3.42Å; E414-T416 WeakPolarHBondContact CG-OG1 3.44Å; E414-T416 PolarHBondContact O-N 2.99Å; E414-T416 PolarHBondContact OE2-OG1 3.07Å |
| 415 | I | 28.4 | Very low | 27.5 | Very low | 174 Ų | 174 | 135 Ų | 135 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | | | trans | -82.4 | 71.5 | 177 | -55.5 | -178 | 0 | 0 | 0 | 108.2 | S417 | I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.29Å |
| 416 | T | 25.3 | Very low | 27.4 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 53% | 0.534 | 76% | 0.762 | S | S | . | * | | | trans | -84.7 | 68.9 | -170 | -52.7 | 0 | 0 | 0 | 0 | 112 | E414 | E414-T416 WeakPolarHBondContact CB-OG1 3.42Å; E414-T416 WeakPolarHBondContact CG-OG1 3.44Å; E414-T416 PolarHBondContact O-N 2.99Å; E414-T416 PolarHBondContact OE2-OG1 3.07Å |
| 417 | S | 26.1 | Very low | 27.2 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | 63.1 | 164.2 | 157 | 72.3 | 0 | 0 | 0 | 0 | 118.7 | I415 | I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.29Å |
| 418 | T | 25.7 | Very low | 27.2 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 62.8 | 140.1 | -173.8 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 419 | N | 27.9 | Very low | 27.8 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | cis | -80.9 | 125.8 | 4.9 | -69.9 | -33.2 | 0 | 0 | 0 | 113.9 | | |
| 420 | R | 26.2 | Very low | 28.4 | Very low | 214 Ų | 214 | 123.9 Ų | 123.9 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | -88.4 | 106.6 | 154.5 | -70.3 | -177.2 | 174.9 | -173.6 | 1.1 | 107.6 | S422 | R420-S422 WeakPolarHBondContact CB-OG 3.03Å; R420-S422 PolarHBondContact O-N 2.65Å; R420-S422 PolarHBondContact O-OG 3.2Å; R420-S422 VanDerWaalsContact O-OG 3.08Å |
| 421 | L | 29.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | trans | -68.9 | 87 | 160.8 | -101.7 | 163.1 | 0 | 0 | 0 | 108.1 | C423 | L421-C423 PolarHBondContact O-N 3.02Å; L421-C423 VanDerWaalsContact O-N 3.17Å |
| 422 | S | 24 | Very low | 31.4 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 54% | 0.538 | 73% | 0.732 | S | S | . | * | | | trans | -88.8 | 76.7 | -170.7 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | R420 S424 | R420-S422 WeakPolarHBondContact CB-OG 3.03Å; R420-S422 PolarHBondContact O-N 2.65Å; R420-S422 PolarHBondContact O-OG 3.2Å; R420-S422 VanDerWaalsContact O-OG 3.08Å; S422-S424 PolarHBondContact O-N 3.4Å |
| 423 | C | 26.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 75% | 0.75 | 71% | 0.707 | S | S | * | * | | | trans | -70.6 | 68.5 | 169.3 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | L421 T425 | L421-C423 PolarHBondContact O-N 3.02Å; L421-C423 VanDerWaalsContact O-N 3.17Å; C423-T425 PolarHBondContact O-N 2.94Å |
| 424 | S | 26.1 | Very low | 36.4 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | trans | -77.7 | 65.9 | 167.1 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | S422 | S422-S424 PolarHBondContact O-N 3.4Š|
| 425 | T | 31.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | | | trans | -83.9 | 124.8 | 157.2 | 35.9 | 0 | 0 | 0 | 0 | 108 | C423 | C423-T425 PolarHBondContact O-N 2.94Š|
| 426 | G | 25 | Very low | 42.2 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | | | trans | -83.7 | -173.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 427 | T | 28.9 | Very low | 45.4 | Very low | 132 Ų | 132 | 110.7 Ų | 110.7 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 72.8 | 120.1 | 172.8 | 70.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 428 | T | 32.2 | Very low | 48.1 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 85% | 0.847 | 63% | 0.627 | S | S | * | * | | | trans | 41.6 | 77.8 | 156.7 | 56.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 429 | S | 39.7 | Very low | 50.8 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | | | trans | -123.3 | 147.8 | 161.2 | 83 | 0 | 0 | 0 | 0 | 112 | D431 | S429-D431 PolarHBondContact O-N 3.39Š|
| 430 | D | 46 | Very low | 53 | Low | 68 Ų | 68 | 106.8 Ų | 106.8 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | | | trans | -83.4 | 111.6 | -168.1 | -170 | -27.9 | 0 | 0 | 0 | 111.6 | R432 F433 | D430-R432 PolarHBondContact O-N 3.29Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 VanDerWaalsContact OD1-CG 3.23Å; D430-R432 WeakPolarHBondContact OD1-CG 3.27Å; D430-R432 IonicContact OD1-CZ 2.75Å; D430-R432 PolarHBondContact OD1-N 3.42Å; D430-R432 IonicContact OD1-NE 2.64Å; D430-R432 PolarHBondContact OD1-NE 3.47Å; D430-R432 IonicContact OD1-NH2 3.26Å; D430-R432 IonicContact OD2-CZ 3.01Å; D430-R432 VanDerWaalsContact OD2-CZ 3.26Å; D430-R432 IonicContact OD2-NE 3.76Å; D430-R432 PolarHBondContact OD2-NE 2.83Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH2 3.98Å; D430-R432 PolarHBondContact OD2-NH2 3.02Å; D430-F433 PolarHBondContact O-N 2.71Å |
| 431 | D | 53.8 | Low | 55.5 | Low | 167 Ų | 167 | 107.6 Ų | 107.6 | 89% | 0.893 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -13.6 | -176.7 | -113.9 | -21.8 | 0 | 0 | 0 | 114.6 | S429 F433 | S429-D431 PolarHBondContact O-N 3.39Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 2.82Å |
| 432 | R | 64.6 | Low | 58.2 | Low | 90 Ų | 90 | 101 Ų | 101 | 34% | 0.34 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -16.2 | 175.7 | -63.2 | -178.5 | -71.6 | 175.3 | -3.8 | 113.8 | D430 Q447 T709 | D430-R432 PolarHBondContact O-N 3.29Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 VanDerWaalsContact OD1-CG 3.23Å; D430-R432 WeakPolarHBondContact OD1-CG 3.27Å; D430-R432 IonicContact OD1-CZ 2.75Å; D430-R432 PolarHBondContact OD1-N 3.42Å; D430-R432 IonicContact OD1-NE 2.64Å; D430-R432 PolarHBondContact OD1-NE 3.47Å; D430-R432 IonicContact OD1-NH2 3.26Å; D430-R432 IonicContact OD2-CZ 3.01Å; D430-R432 VanDerWaalsContact OD2-CZ 3.26Å; D430-R432 IonicContact OD2-NE 3.76Å; D430-R432 PolarHBondContact OD2-NE 2.83Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH2 3.98Å; D430-R432 PolarHBondContact OD2-NH2 3.02Å; R432-Q447 WeakPolarHBondContact O-CA 3.34Å; R432-Q447 VanDerWaalsContact O-CB 3.28Å; R432-Q447 WeakPolarHBondContact O-CB 3.44Å; R432-Q447 VanDerWaalsContact O-CG 3.29Å; R432-Q447 WeakPolarHBondContact O-CG 3.21Å; R432-T709 VanDerWaalsContact NH1-CG2 3.27Å |
| 433 | F | 72.2 | Confident | 61.2 | Low | 59 Ų | 59 | 99.5 Ų | 99.5 | 26% | 0.259 | 57% | 0.572 | S | S | . | * | | | trans | -131.6 | 77.8 | -172.4 | -66 | -76.5 | 0 | 0 | 0 | 114.1 | N77 D430 D431 H435 R445 | N77-F433 HydrophobicContact CB-CZ 4.43Å; D430-F433 PolarHBondContact O-N 2.71Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 2.82Å; F433-H435 VanDerWaalsContact C-N 3.31Å; F433-H435 PolarHBondContact O-N 3.05Å; F433-R445 HydrophobicContact CB-CB 3.84Å; F433-R445 HydrophobicContact CD1-CB 3.74Å; F433-R445 HydrophobicContact CG-CB 3.92Å |
| 434 | K | 82 | Confident | 64 | Low | 169 Ų | 169 | 99.2 Ų | 99.2 | 74% | 0.735 | 56% | 0.555 | S | S | * | * | | | trans | -67.3 | -18.6 | -175.3 | -171.4 | 169.7 | -176.8 | 178.1 | 0 | 116.2 | Y446 | K434-Y446 PolarHBondContact N-O 3.02Š|
| 435 | H | 84.5 | Confident | 67.1 | Low | 46 Ų | 46 | 99 Ų | 99 | 21% | 0.213 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.5 | -176.6 | -52.1 | -96.8 | 0 | 0 | 0 | 111.2 | F433 R445 Y446 E449 L452 | F433-H435 VanDerWaalsContact C-N 3.31Å; F433-H435 PolarHBondContact O-N 3.05Å; H435-R445 CarbonylContact O-C 3.32Å; H435-R445 WeakPolarHBondContact O-CA 3.47Å; H435-Y446 PolarHBondContact N-O 3.33Å; H435-Y446 PolarHBondContact O-N 3.47Å; H435-E449 PolarHBondContact CD2-N 3Å; H435-E449 PolarHBondContact NE2-N 2.85Å; H435-E449 VanDerWaalsContact NE2-N 3.14Å; H435-L452 HydrophobicContact CB-CB 4.33Å; H435-L452 HydrophobicContact CB-CD2 4.02Å |
| 436 | I | 87.3 | Confident | 70 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.6 | 177.1 | -56.2 | -179.3 | 0 | 0 | 0 | 108.2 | P438 R445 | I436-P438 WeakPolarHBondContact O-CD 3.31Å; I436-R445 HydrophobicContact CG1-CG 4.15Å |
| 437 | C | 92.7 | Very high | 72.9 | Confident | 7 Ų | 7 | 98.8 Ų | 98.8 | 5% | 0.047 | 51% | 0.508 | C | S | . | . | | | trans | -70.4 | 123.2 | 173.4 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | H439 C442 R444 L452 | C437-H439 PolarHBondContact O-N 3.32Å; C437-C442 HydrophobicContact CB-CB 3.92Å; C437-C442 VanDerWaalsContact CB-SG 3.57Å; C437-R444 PolarHBondContact N-O 3.12Å; C437-L452 HydrophobicContact CB-CD1 4.07Å |
| 438 | P | 84.2 | Confident | 75.6 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -66.9 | -19.9 | -179.9 | 26.9 | -36.7 | 0 | 0 | 0 | 114 | I436 L456 | I436-P438 WeakPolarHBondContact O-CD 3.31Å; P438-L456 HydrophobicContact CG-CD2 4.18Å |
| 439 | H | 81.5 | Confident | 78.2 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 35% | 0.352 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -67.8 | 121 | 177.5 | -173.8 | -82.1 | 0 | 0 | 0 | 111.2 | C437 R441 C442 H460 | C437-H439 PolarHBondContact O-N 3.32Å; H439-R441 PolarHBondContact O-N 3.07Å; H439-C442 HydrophobicContact CB-CB 4.05Å; H439-C442 WeakPolarHBondContact O-CB 3.09Å; H439-C442 PolarHBondContact O-N 3.31Å; H439-H460 VanDerWaalsContact CB-CE1 3.47Å; H439-H460 WeakPolarHBondContact CB-CE1 3.5Å; H439-H460 AromaticContact CD2-CE1 3.43Å; H439-H460 PolarHBondContact CD2-CE1 2.86Å; H439-H460 VanDerWaalsContact CD2-CE1 3.43Å; H439-H460 AromaticContact CD2-ND1 3.13Å; H439-H460 PolarHBondContact CD2-ND1 2.62Å; H439-H460 AromaticContact CE1-CE1 3.77Å; H439-H460 AromaticContact CG-CE1 3.16Å; H439-H460 AromaticContact CG-ND1 3.37Å; H439-H460 AromaticContact CG-NE2 3.91Å; H439-H460 AromaticContact ND1-CE1 3.41Å; H439-H460 PolarHBondContact ND1-CE1 2.81Å; H439-H460 AromaticContact ND1-ND1 3.94Å; H439-H460 AromaticContact NE2-CE1 3.77Å; H439-H460 AromaticContact NE2-ND1 3.58Å |
| 440 | P | 74.7 | Confident | 80.3 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 79% | 0.792 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -44.8 | -164.8 | 20.2 | -32.5 | 0 | 0 | 0 | 113.1 | C442 | P440-C442 PolarHBondContact O-N 3.21Å; P440-C442 VanDerWaalsContact O-N 3.15Å |
| 441 | R | 78 | Confident | 82.4 | Confident | 231 Ų | 231 | 89.4 Ų | 89.4 | 87% | 0.872 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 6.3 | 177.9 | -66.2 | -174.6 | 170.1 | -165.5 | -6.8 | 115 | H439 | H439-R441 PolarHBondContact O-N 3.07Š|
| 442 | C | 88 | Confident | 84.2 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -48.2 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | C437 H439 P440 R444 H455 | C437-C442 HydrophobicContact CB-CB 3.92Å; C437-C442 VanDerWaalsContact CB-SG 3.57Å; H439-C442 HydrophobicContact CB-CB 4.05Å; H439-C442 WeakPolarHBondContact O-CB 3.09Å; H439-C442 PolarHBondContact O-N 3.31Å; P440-C442 PolarHBondContact O-N 3.21Å; P440-C442 VanDerWaalsContact O-N 3.15Å; C442-R444 PolarHBondContact O-N 3.42Å; C442-H455 PolarHBondContact SG-NE2 3.08Å |
| 443 | G | 85.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 78.9 Ų | 78.9 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | | | trans | 63.1 | -11.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 444 | R | 87.1 | Confident | 86.2 | Confident | 104 Ų | 104 | 83.1 Ų | 83.1 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | | | trans | -67.1 | 135 | -173.3 | -64.6 | -179 | -167.4 | -142.7 | 2.1 | 112 | C437 C442 Y446 H455 | C437-R444 PolarHBondContact N-O 3.12Å; C442-R444 PolarHBondContact O-N 3.42Å; R444-Y446 HydrophobicContact CB-CE2 3.82Å; R444-Y446 WeakPolarHBondContact CB-OH 3.11Å; R444-Y446 VanDerWaalsContact CD-OH 3.23Å; R444-Y446 WeakPolarHBondContact CD-OH 3.25Å; R444-H455 VanDerWaalsContact CD-CE1 3.47Å; R444-H455 WeakPolarHBondContact CD-CE1 3.17Å |
| 445 | R | 90.9 | Very high | 86.6 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147 | 179.2 | -45.5 | -168.1 | 176.5 | -152 | -0.5 | 111.2 | F433 H435 I436 | F433-R445 HydrophobicContact CB-CB 3.84Å; F433-R445 HydrophobicContact CD1-CB 3.74Å; F433-R445 HydrophobicContact CG-CB 3.92Å; H435-R445 CarbonylContact O-C 3.32Å; H435-R445 WeakPolarHBondContact O-CA 3.47Å; I436-R445 HydrophobicContact CG1-CG 4.15Å |
| 446 | Y | 92.1 | Very high | 86.9 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.4 | -172.7 | -63.1 | -77.5 | 0 | 0 | 0 | 111.3 | K434 H435 R444 A448 L452 H455 | K434-Y446 PolarHBondContact N-O 3.02Å; H435-Y446 PolarHBondContact N-O 3.33Å; H435-Y446 PolarHBondContact O-N 3.47Å; R444-Y446 HydrophobicContact CB-CE2 3.82Å; R444-Y446 WeakPolarHBondContact CB-OH 3.11Å; R444-Y446 VanDerWaalsContact CD-OH 3.23Å; R444-Y446 WeakPolarHBondContact CD-OH 3.25Å; Y446-A448 PolarHBondContact O-N 2.82Å; Y446-L452 HydrophobicContact CD2-CB 3.81Å; Y446-L452 HydrophobicContact CD2-CD1 4.06Å; Y446-L452 HydrophobicContact CE2-CD1 4.19Å; Y446-L452 HydrophobicContact CG-CB 4.22Å; Y446-H455 HydrophobicContact CE1-CB 4.36Å; Y446-H455 HydrophobicContact CE2-CB 3.96Å; Y446-H455 AromaticContact CZ-CG 3.76Å; Y446-H455 VanDerWaalsContact OH-CB 3.25Å; Y446-H455 WeakPolarHBondContact OH-CB 3.41Å; Y446-H455 PolarHBondContact OH-ND1 3.2Å |
| 447 | Q | 86.1 | Confident | 86.9 | Confident | 149 Ų | 149 | 72.5 Ų | 72.5 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -66.4 | -24.1 | 174.5 | -172.8 | 172.1 | 35.7 | 0 | 0 | 112.9 | R432 | R432-Q447 WeakPolarHBondContact O-CA 3.34Å; R432-Q447 VanDerWaalsContact O-CB 3.28Å; R432-Q447 WeakPolarHBondContact O-CB 3.44Å; R432-Q447 VanDerWaalsContact O-CG 3.29Å; R432-Q447 WeakPolarHBondContact O-CG 3.21Å |
| 448 | A | 85.4 | Confident | 86.7 | Confident | 49 Ų | 49 | 79.2 Ų | 79.2 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -140.7 | 140.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y446 I450 G451 | Y446-A448 PolarHBondContact O-N 2.82Å; A448-I450 VanDerWaalsContact C-N 3.28Å; A448-I450 HydrophobicContact CB-CG2 4.25Å; A448-I450 PolarHBondContact O-N 3.01Å; A448-G451 WeakPolarHBondContact O-CA 3.26Å; A448-G451 PolarHBondContact O-N 2.66Å |
| 449 | E | 85.2 | Confident | 86.9 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -44.9 | -46.4 | 177.6 | -168 | -176.5 | 170.8 | 0 | 0 | 113.5 | H435 G451 L452 L453 | H435-E449 PolarHBondContact CD2-N 3Å; H435-E449 PolarHBondContact NE2-N 2.85Å; H435-E449 VanDerWaalsContact NE2-N 3.14Å; E449-G451 PolarHBondContact O-N 3.42Å; E449-L452 CarbonylContact O-C 3.54Å; E449-L452 WeakPolarHBondContact O-CA 3.35Å; E449-L452 WeakPolarHBondContact O-CB 3.22Å; E449-L452 PolarHBondContact O-N 3.18Å; E449-L453 HydrophobicContact CG-CD1 4.2Å; E449-L453 HydrophobicContact CG-CG 4.26Å; E449-L453 WeakPolarHBondContact O-CG 3.24Å; E449-L453 PolarHBondContact O-N 3.31Å |
| 450 | I | 85.5 | Confident | 87.2 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -16.4 | 178.2 | -161.3 | 70.3 | 0 | 0 | 0 | 113.8 | A448 R454 L466 | A448-I450 VanDerWaalsContact C-N 3.28Å; A448-I450 HydrophobicContact CB-CG2 4.25Å; A448-I450 PolarHBondContact O-N 3.01Å; I450-R454 VanDerWaalsContact O-CZ 3.31Å; I450-R454 PolarHBondContact O-NE 3.18Å; I450-R454 VanDerWaalsContact O-NE 3.09Å; I450-R454 PolarHBondContact O-NH2 3.14Å; I450-L466 HydrophobicContact CD1-CD2 3.89Å |
| 451 | G | 89.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -77.8 | -47.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A448 E449 R454 H455 | A448-G451 WeakPolarHBondContact O-CA 3.26Å; A448-G451 PolarHBondContact O-N 2.66Å; E449-G451 PolarHBondContact O-N 3.42Å; G451-R454 PolarHBondContact O-N 3.02Å; G451-H455 PolarHBondContact O-N 3.45Å |
| 452 | L | 92.4 | Very high | 87.2 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 174.3 | 173.9 | 59.9 | 0 | 0 | 0 | 111.2 | H435 C437 Y446 E449 R454 H455 L456 | H435-L452 HydrophobicContact CB-CB 4.33Å; H435-L452 HydrophobicContact CB-CD2 4.02Å; C437-L452 HydrophobicContact CB-CD1 4.07Å; Y446-L452 HydrophobicContact CD2-CB 3.81Å; Y446-L452 HydrophobicContact CD2-CD1 4.06Å; Y446-L452 HydrophobicContact CE2-CD1 4.19Å; Y446-L452 HydrophobicContact CG-CB 4.22Å; E449-L452 CarbonylContact O-C 3.54Å; E449-L452 WeakPolarHBondContact O-CA 3.35Å; E449-L452 WeakPolarHBondContact O-CB 3.22Å; E449-L452 PolarHBondContact O-N 3.18Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 2.83Å; L452-H455 CarbonylContact O-C 2.88Å; L452-H455 WeakPolarHBondContact O-CA 3.49Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.46Å; L452-L456 HydrophobicContact CD1-CD1 3.74Å; L452-L456 HydrophobicContact CD1-CD2 4.26Å; L452-L456 HydrophobicContact CD1-CG 3.8Å; L452-L456 HydrophobicContact CD2-CD1 4.39Å; L452-L456 HydrophobicContact CG-CD1 3.76Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CG 3.5Å; L452-L456 PolarHBondContact O-N 3.02Å |
| 453 | L | 89 | Confident | 85.9 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 179.4 | -64.2 | -179.1 | 0 | 0 | 0 | 112.3 | E449 H455 L456 V457 I464 L466 P467 | E449-L453 HydrophobicContact CG-CD1 4.2Å; E449-L453 HydrophobicContact CG-CG 4.26Å; E449-L453 WeakPolarHBondContact O-CG 3.24Å; E449-L453 PolarHBondContact O-N 3.31Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.11Å; L453-L456 PolarHBondContact O-N 2.91Å; L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.3Å; L453-V457 PolarHBondContact O-N 3.5Å; L453-I464 HydrophobicContact CD2-CB 4.24Å; L453-I464 HydrophobicContact CD2-CD1 3.57Å; L453-I464 HydrophobicContact CD2-CG2 3.75Å; L453-L466 HydrophobicContact CB-CD2 3.77Å; L453-L466 HydrophobicContact CD1-CD2 4.21Å; L453-P467 HydrophobicContact CD1-CG 4.26Å |
| 454 | R | 88.9 | Confident | 84.9 | Confident | 148 Ų | 148 | 77.9 Ų | 77.9 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68 | -25 | 175 | -82.3 | -172.1 | -69.8 | -114.8 | 0.2 | 113.6 | I450 G451 L452 K458 | I450-R454 VanDerWaalsContact O-CZ 3.31Å; I450-R454 PolarHBondContact O-NE 3.18Å; I450-R454 VanDerWaalsContact O-NE 3.09Å; I450-R454 PolarHBondContact O-NH2 3.14Å; G451-R454 PolarHBondContact O-N 3.02Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 2.83Å; R454-K458 WeakPolarHBondContact O-CB 3.49Å; R454-K458 PolarHBondContact O-N 3.38Å |
| 455 | H | 90.6 | Very high | 83.2 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 3% | 0.028 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -75.8 | -48.3 | 174.5 | -179.1 | 75.4 | 0 | 0 | 0 | 111.4 | C442 R444 Y446 G451 L452 L453 V457 K458 Y459 H460 | C442-H455 PolarHBondContact SG-NE2 3.08Å; R444-H455 VanDerWaalsContact CD-CE1 3.47Å; R444-H455 WeakPolarHBondContact CD-CE1 3.17Å; Y446-H455 HydrophobicContact CE1-CB 4.36Å; Y446-H455 HydrophobicContact CE2-CB 3.96Å; Y446-H455 AromaticContact CZ-CG 3.76Å; Y446-H455 VanDerWaalsContact OH-CB 3.25Å; Y446-H455 WeakPolarHBondContact OH-CB 3.41Å; Y446-H455 PolarHBondContact OH-ND1 3.2Å; G451-H455 PolarHBondContact O-N 3.45Å; L452-H455 CarbonylContact O-C 2.88Å; L452-H455 WeakPolarHBondContact O-CA 3.49Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.46Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.11Å; H455-V457 PolarHBondContact O-N 2.94Å; H455-K458 PolarHBondContact O-N 3.07Å; H455-K458 VanDerWaalsContact O-N 3.11Å; H455-Y459 AromaticContact CE1-CD2 3.23Å; H455-Y459 WeakPolarHBondContact CE1-CD2 3.36Å; H455-Y459 AromaticContact CE1-CE2 3.86Å; H455-Y459 AromaticContact CE1-CG 3.58Å; H455-Y459 AromaticContact CG-CD2 3.92Å; H455-Y459 AromaticContact ND1-CD2 3.06Å; H455-Y459 WeakPolarHBondContact ND1-CD2 3.33Å; H455-Y459 AromaticContact ND1-CE2 3.45Å; H455-Y459 WeakPolarHBondContact ND1-CE2 3.29Å; H455-Y459 AromaticContact ND1-CG 3.9Å; H455-Y459 WeakPolarHBondContact O-CD2 3.3Å; H455-Y459 PolarHBondContact O-N 2.76Å; H455-H460 AromaticContact CD2-CD2 3.82Å; H455-H460 AromaticContact CD2-NE2 3.83Å; H455-H460 AromaticContact NE2-CD2 3.66Å; H455-H460 AromaticContact NE2-NE2 3.23Å; H455-H460 PolarHBondContact NE2-NE2 3.41Å |
| 456 | L | 90.5 | Very high | 81.6 | Confident | 7 Ų | 7 | 78.4 Ų | 78.4 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -56 | -50.7 | 176.4 | -66.9 | 173.9 | 0 | 0 | 0 | 111 | P438 L452 L453 K458 H460 G461 E462 I464 | P438-L456 HydrophobicContact CG-CD2 4.18Å; L452-L456 HydrophobicContact CD1-CD1 3.74Å; L452-L456 HydrophobicContact CD1-CD2 4.26Å; L452-L456 HydrophobicContact CD1-CG 3.8Å; L452-L456 HydrophobicContact CD2-CD1 4.39Å; L452-L456 HydrophobicContact CG-CD1 3.76Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CG 3.5Å; L452-L456 PolarHBondContact O-N 3.02Å; L453-L456 PolarHBondContact O-N 2.91Å; L456-K458 PolarHBondContact O-N 2.93Å; L456-H460 HydrophobicContact CD2-CB 4.48Å; L456-H460 CarbonylContact O-C 3.45Å; L456-H460 WeakPolarHBondContact O-CA 3.45Å; L456-H460 PolarHBondContact O-N 3.13Å; L456-G461 PolarHBondContact O-N 3.45Å; L456-E462 HydrophobicContact CB-CB 4.26Å; L456-E462 WeakPolarHBondContact CD1-OE2 3.2Å; L456-I464 HydrophobicContact CB-CD1 3.77Å; L456-I464 HydrophobicContact CD1-CD1 3.52Å; L456-I464 HydrophobicContact CG-CD1 4.27Å |
| 457 | V | 87.9 | Confident | 79.4 | Confident | 66 Ų | 66 | 80.5 Ų | 80.5 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | I | π-helix | trans | -60.1 | -39 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 112.9 | L453 H455 E462 | L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.3Å; L453-V457 PolarHBondContact O-N 3.5Å; H455-V457 PolarHBondContact O-N 2.94Å; V457-E462 WeakPolarHBondContact CG2-O 3.49Å |
| 458 | K | 88.8 | Confident | 77.4 | Confident | 149 Ų | 149 | 80.2 Ų | 80.2 | 65% | 0.648 | 41% | 0.408 | S | S | * | . | I | π-helix | trans | -81.7 | -34.2 | -174.9 | -178.4 | 174.8 | 176.3 | -167.1 | 0 | 114.2 | R454 H455 L456 | R454-K458 WeakPolarHBondContact O-CB 3.49Å; R454-K458 PolarHBondContact O-N 3.38Å; H455-K458 PolarHBondContact O-N 3.07Å; H455-K458 VanDerWaalsContact O-N 3.11Å; L456-K458 PolarHBondContact O-N 2.93Å |
| 459 | Y | 87.6 | Confident | 75 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -119.8 | -23.6 | -168.8 | -61.8 | -86.5 | 0 | 0 | 0 | 114.2 | H455 | H455-Y459 AromaticContact CE1-CD2 3.23Å; H455-Y459 WeakPolarHBondContact CE1-CD2 3.36Å; H455-Y459 AromaticContact CE1-CE2 3.86Å; H455-Y459 AromaticContact CE1-CG 3.58Å; H455-Y459 AromaticContact CG-CD2 3.92Å; H455-Y459 AromaticContact ND1-CD2 3.06Å; H455-Y459 WeakPolarHBondContact ND1-CD2 3.33Å; H455-Y459 AromaticContact ND1-CE2 3.45Å; H455-Y459 WeakPolarHBondContact ND1-CE2 3.29Å; H455-Y459 AromaticContact ND1-CG 3.9Å; H455-Y459 WeakPolarHBondContact O-CD2 3.3Å; H455-Y459 PolarHBondContact O-N 2.76Å |
| 460 | H | 87 | Confident | 72.5 | Confident | 54 Ų | 54 | 90 Ų | 90 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | I | π-helix | trans | -110.3 | -10.6 | 178.3 | -59.6 | -64.2 | 0 | 0 | 0 | 112.9 | H439 H455 L456 E462 | H439-H460 VanDerWaalsContact CB-CE1 3.47Å; H439-H460 WeakPolarHBondContact CB-CE1 3.5Å; H439-H460 AromaticContact CD2-CE1 3.43Å; H439-H460 PolarHBondContact CD2-CE1 2.86Å; H439-H460 VanDerWaalsContact CD2-CE1 3.43Å; H439-H460 AromaticContact CD2-ND1 3.13Å; H439-H460 PolarHBondContact CD2-ND1 2.62Å; H439-H460 AromaticContact CE1-CE1 3.77Å; H439-H460 AromaticContact CG-CE1 3.16Å; H439-H460 AromaticContact CG-ND1 3.37Å; H439-H460 AromaticContact CG-NE2 3.91Å; H439-H460 AromaticContact ND1-CE1 3.41Å; H439-H460 PolarHBondContact ND1-CE1 2.81Å; H439-H460 AromaticContact ND1-ND1 3.94Å; H439-H460 AromaticContact NE2-CE1 3.77Å; H439-H460 AromaticContact NE2-ND1 3.58Å; H455-H460 AromaticContact CD2-CD2 3.82Å; H455-H460 AromaticContact CD2-NE2 3.83Å; H455-H460 AromaticContact NE2-CD2 3.66Å; H455-H460 AromaticContact NE2-NE2 3.23Å; H455-H460 PolarHBondContact NE2-NE2 3.41Å; L456-H460 HydrophobicContact CD2-CB 4.48Å; L456-H460 CarbonylContact O-C 3.45Å; L456-H460 WeakPolarHBondContact O-CA 3.45Å; L456-H460 PolarHBondContact O-N 3.13Å; H460-E462 HydrophobicContact CB-CG 4.28Å; H460-E462 PolarHBondContact O-N 2.77Å |
| 461 | G | 78.7 | Confident | 69.8 | Low | 55 Ų | 55 | 96.8 Ų | 96.8 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | | | trans | 75.2 | 6.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L456 Q463 | L456-G461 PolarHBondContact O-N 3.45Å; G461-Q463 PolarHBondContact O-N 3.31Å |
| 462 | E | 73.9 | Confident | 66.9 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | | | trans | -60.9 | 123.6 | -179.7 | -66.7 | 175.9 | -160.3 | 0 | 0 | 110.9 | L456 V457 H460 I464 | L456-E462 HydrophobicContact CB-CB 4.26Å; L456-E462 WeakPolarHBondContact CD1-OE2 3.2Å; V457-E462 WeakPolarHBondContact CG2-O 3.49Å; H460-E462 HydrophobicContact CB-CG 4.28Å; H460-E462 PolarHBondContact O-N 2.77Å; E462-I464 HydrophobicContact CB-CD1 4.33Å; E462-I464 HydrophobicContact CB-CG1 3.98Å; E462-I464 PolarHBondContact O-N 3.17Å |
| 463 | Q | 60.9 | Low | 64 | Low | 204 Ų | 204 | 104.4 Ų | 104.4 | 95% | 0.953 | 51% | 0.512 | S | S | * | . | | | trans | -79.8 | 70.5 | 176.7 | -66.6 | -167.9 | 45.4 | 0 | 0 | 110.7 | G461 | G461-Q463 PolarHBondContact O-N 3.31Š|
| 464 | I | 65.6 | Low | 61.4 | Low | 58 Ų | 58 | 108.1 Ų | 108.1 | 30% | 0.297 | 55% | 0.546 | S | S | . | . | | | trans | -86.2 | 122.9 | 173.3 | -41.3 | 173.4 | 0 | 0 | 0 | 108.8 | L453 L456 E462 L466 | L453-I464 HydrophobicContact CD2-CB 4.24Å; L453-I464 HydrophobicContact CD2-CD1 3.57Å; L453-I464 HydrophobicContact CD2-CG2 3.75Å; L456-I464 HydrophobicContact CB-CD1 3.77Å; L456-I464 HydrophobicContact CD1-CD1 3.52Å; L456-I464 HydrophobicContact CG-CD1 4.27Å; E462-I464 HydrophobicContact CB-CD1 4.33Å; E462-I464 HydrophobicContact CB-CG1 3.98Å; E462-I464 PolarHBondContact O-N 3.17Å; I464-L466 PolarHBondContact O-N 3.12Å |
| 465 | E | 51.7 | Low | 58.5 | Low | 155 Ų | 155 | 107.9 Ų | 107.9 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | | | trans | -67 | 99 | 173.9 | -168 | 173.3 | -160.1 | 0 | 0 | 109.4 | P467 | E465-P467 WeakPolarHBondContact O-CD 3.45Š|
| 466 | L | 56.7 | Low | 56 | Low | 74 Ų | 74 | 116.8 Ų | 116.8 | 39% | 0.387 | 60% | 0.597 | S | S | . | * | | | trans | -53.5 | 124 | 178.8 | -79.8 | 165.8 | 0 | 0 | 0 | 109.6 | I450 L453 I464 Q468 | I450-L466 HydrophobicContact CD1-CD2 3.89Å; L453-L466 HydrophobicContact CB-CD2 3.77Å; L453-L466 HydrophobicContact CD1-CD2 4.21Å; I464-L466 PolarHBondContact O-N 3.12Å; L466-Q468 PolarHBondContact O-N 2.95Å |
| 467 | P | 46.1 | Very low | 53.2 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | | | trans | -50.8 | 101.8 | -175.9 | -32.3 | 36.3 | 0 | 0 | 0 | 112.5 | L453 E465 R469 | L453-P467 HydrophobicContact CD1-CG 4.26Å; E465-P467 WeakPolarHBondContact O-CD 3.45Å; P467-R469 PolarHBondContact O-N 2.88Å; P467-R469 VanDerWaalsContact O-N 3.08Å |
| 468 | Q | 43.9 | Very low | 50.5 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 67% | 0.673 | 65% | 0.652 | S | S | * | * | | | trans | -65 | 115.7 | 179.3 | -64.5 | -165.1 | 39.2 | 0 | 0 | 107.3 | L466 T470 | L466-Q468 PolarHBondContact O-N 2.95Å; Q468-T470 PolarHBondContact O-N 3.04Å |
| 469 | R | 35.9 | Very low | 47.6 | Very low | 241 Ų | 241 | 127.1 Ų | 127.1 | 91% | 0.909 | 65% | 0.65 | S | S | * | * | | | trans | -71.1 | 77.2 | 169.7 | -91.5 | -176 | 161.6 | 149.9 | -2.9 | 109.3 | P467 R471 | P467-R469 PolarHBondContact O-N 2.88Å; P467-R469 VanDerWaalsContact O-N 3.08Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 2.95Å |
| 470 | T | 31.9 | Very low | 44.8 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | | | trans | -51.7 | 98.8 | 158.6 | 34.5 | 0 | 0 | 0 | 0 | 107.4 | Q468 S472 | Q468-T470 PolarHBondContact O-N 3.04Å; T470-S472 VanDerWaalsContact C-N 3.27Å; T470-S472 PolarHBondContact O-N 3.45Å |
| 471 | R | 28.4 | Very low | 42.1 | Very low | 215 Ų | 215 | 141.1 Ų | 141.1 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | | | trans | -79.5 | 80 | -170 | -163.3 | -175.3 | -166.4 | -115.6 | 3.5 | 108.6 | R469 V473 | R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 2.95Å; R471-V473 HydrophobicContact CG-CG2 3.85Å; R471-V473 PolarHBondContact O-N 2.96Å |
| 472 | S | 29 | Very low | 39.8 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | -63.3 | 82.4 | 168.5 | 44.5 | 0 | 0 | 0 | 0 | 109.4 | T470 A474 | T470-S472 VanDerWaalsContact C-N 3.27Å; T470-S472 PolarHBondContact O-N 3.45Å; S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 3.46Å |
| 473 | V | 31.4 | Very low | 37.6 | Very low | 86 Ų | 86 | 145.9 Ų | 145.9 | 52% | 0.521 | 74% | 0.737 | S | S | . | * | | | trans | -71.6 | 90 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | R471 N475 | R471-V473 HydrophobicContact CG-CG2 3.85Å; R471-V473 PolarHBondContact O-N 2.96Å; V473-N475 PolarHBondContact O-N 2.61Å |
| 474 | A | 33.9 | Very low | 36.1 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | | | trans | -55.3 | 129.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S472 Q476 | S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 3.46Å; A474-Q476 PolarHBondContact O-N 3.22Å |
| 475 | N | 28.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -68.8 | 115.5 | -170.6 | -77.2 | -56.7 | 0 | 0 | 0 | 111.9 | V473 | V473-N475 PolarHBondContact O-N 2.61Š|
| 476 | Q | 37.3 | Very low | 33.3 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | -154.3 | 125.8 | 144 | -114.5 | 157 | 92.4 | 0 | 0 | 110 | A474 | A474-Q476 PolarHBondContact O-N 3.22Š|
| 477 | Q | 32.9 | Very low | 32.3 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -90.2 | 141 | -178.1 | -60.1 | 172.1 | -8.3 | 0 | 0 | 109.5 | | |
| 478 | L | 29.9 | Very low | 31.4 | Very low | 151 Ų | 151 | 158.2 Ų | 158.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | | 178.8 | 126.7 | 108 | -92.8 | 163.9 | 0 | 0 | 0 | 113.5 | | |
| 479 | L | 28.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 158.4 Ų | 158.4 | 61% | 0.613 | 80% | 0.798 | S | S | * | * | | | trans | 11.8 | 121.6 | 157.8 | -89.5 | 55.9 | 0 | 0 | 0 | 120.8 | | |
| 480 | R | 27.6 | Very low | 30.4 | Very low | 258 Ų | 258 | 152.3 Ų | 152.3 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | | | | -122.3 | 129.8 | 127.1 | -101.4 | -179 | 171.2 | 150.9 | 0.9 | 109.8 | | |
| 481 | R | 32.1 | Very low | 30.2 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -78.9 | 155.2 | -171.1 | -78.9 | -178.3 | 168.7 | 109.9 | -4.2 | 112.7 | | |
| 482 | P | 29.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -71.5 | 136.2 | 179.3 | 29.7 | -35.4 | 0 | 0 | 0 | 112.2 | S484 | P482-S484 PolarHBondContact O-N 2.99Š|
| 483 | A | 27.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -93.2 | 91 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 484 | S | 29.6 | Very low | 30.6 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -155.5 | 56.1 | 173 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | P482 | P482-S484 PolarHBondContact O-N 2.99Š|
| 485 | E | 33.1 | Very low | 30.5 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -148.9 | 145.4 | 153.6 | -141.7 | 165.7 | 176.1 | 0 | 0 | 113.1 | | |
| 486 | E | 26.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -95.8 | 118.9 | 171.3 | -63.2 | 176 | 123.7 | 0 | 0 | 108.6 | | |
| 487 | R | 34.9 | Very low | 30.6 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | 172 | 112.1 | 139.8 | -92.6 | 148.9 | -155.6 | -160.6 | 7 | 114.7 | | |
| 488 | T | 27.6 | Very low | 30.7 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | | 58 | 144.5 | 126.5 | -3.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 489 | I | 29.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | 75.9 | 114.7 | 158 | 4 | -177.8 | 0 | 0 | 0 | 121.9 | | |
| 490 | T | 29.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | | | trans | 48.8 | 105.2 | 141 | 47.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 491 | S | 27.6 | Very low | 32 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | | 47.6 | 156.6 | 109.1 | 65.1 | 0 | 0 | 0 | 0 | 124 | | |
| 492 | I | 33.3 | Very low | 32.1 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | | | trans | 86.1 | 138.3 | 178.7 | -50.4 | 159.6 | 0 | 0 | 0 | 111.8 | F494 | I492-F494 HydrophobicContact CG2-CD2 4.14Å; I492-F494 HydrophobicContact CG2-CE2 3.93Å |
| 493 | G | 28.9 | Very low | 32.4 | Very low | 60 Ų | 60 | 143.5 Ų | 143.5 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | cis | 152.4 | 158.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 494 | F | 34 | Very low | 32.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 78.5 | 92.4 | 169.4 | -48.3 | -68.1 | 0 | 0 | 0 | 119.9 | I492 | I492-F494 HydrophobicContact CG2-CD2 4.14Å; I492-F494 HydrophobicContact CG2-CE2 3.93Å |
| 495 | D | 32.9 | Very low | 32.6 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | | 50.1 | 156.7 | 101.6 | -49.4 | -25.8 | 0 | 0 | 0 | 124.4 | | |
| 496 | N | 34.4 | Very low | 32.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 86.9 | 110.4 | 159.2 | -63.7 | -15.4 | 0 | 0 | 0 | 118.5 | | |
| 497 | T | 33.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | | 83 | 142.7 | 89.9 | 66 | 0 | 0 | 0 | 0 | 113.6 | | |
| 498 | D | 35.6 | Very low | 32.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | cis | -162.2 | -170.9 | -4 | -123.9 | -46 | 0 | 0 | 0 | 111.5 | | |
| 499 | E | 38.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 87 | 114.2 | 145.3 | -143.8 | 166.3 | -153.3 | 0 | 0 | 121.9 | | |
| 500 | M | 34.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 40.4 | 160.4 | 141 | -49.1 | -54.5 | 174.6 | 0 | 0 | 122.8 | | |
| 501 | D | 38.5 | Very low | 33 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | cis | -146.5 | -176.3 | 6.3 | -145.4 | -24 | 0 | 0 | 0 | 113.6 | | |
| 502 | K | 35 | Very low | 33 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | | | trans | -99.1 | 164.1 | 177.4 | -52.3 | 175.1 | -165.8 | 68.6 | 0 | 111.8 | | |
| 503 | I | 36.2 | Very low | 32.8 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | | 179.6 | 150.2 | 125.5 | -95 | 157.1 | 0 | 0 | 0 | 111.1 | | |
| 504 | C | 28.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | 10.1 | 164.6 | 159 | -68.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 505 | S | 32.2 | Very low | 32.6 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -170.4 | 167 | -24.5 | -96.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 506 | K | 31.6 | Very low | 32.2 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | | | trans | -48.8 | 133.5 | 178.1 | -54.5 | 170.8 | -176.9 | 176.5 | 0 | 113.5 | | |
| 507 | Q | 34.4 | Very low | 31.8 | Very low | 199 Ų | 199 | 145 Ų | 145 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | | | trans | -143.6 | 130.3 | 142.6 | -114.6 | -179.8 | 13.6 | 0 | 0 | 110.5 | | |
| 508 | S | 25.9 | Very low | 31.4 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -96.8 | 134.6 | 175 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 509 | L | 34 | Very low | 31.4 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -146.3 | 110.8 | 155.1 | -143.2 | 77.1 | 0 | 0 | 0 | 111.5 | | |
| 510 | S | 27.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -75.3 | 137.5 | 171.1 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 511 | K | 35.7 | Very low | 30.7 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -166.1 | 102.9 | 151.4 | -105.9 | 144.9 | -172.5 | 176 | 0 | 110.9 | | |
| 512 | N | 26.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -67.2 | 134.4 | 162.1 | -69.7 | -15.9 | 0 | 0 | 0 | 108.6 | | |
| 513 | K | 31 | Very low | 29.9 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -147.4 | 96.8 | 161 | -163.7 | 170.4 | -173.9 | 179.1 | 0 | 111.1 | I515 | K513-I515 PolarHBondContact O-N 3.47Š|
| 514 | T | 26.1 | Very low | 29.5 | Very low | 101 Ų | 101 | 144 Ų | 144 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | trans | -57 | 132.2 | 167.3 | -46.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 515 | I | 31.4 | Very low | 29.3 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -130.6 | 124.4 | 165.9 | -62.8 | -177 | 0 | 0 | 0 | 107.3 | K513 | K513-I515 PolarHBondContact O-N 3.47Š|
| 516 | S | 25.6 | Very low | 29.1 | Very low | 58 Ų | 58 | 146.6 Ų | 146.6 | 41% | 0.406 | 78% | 0.783 | S | S | . | * | | | trans | -84.4 | -176.6 | -178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 517 | L | 25.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 90.6 | 111.1 | 156.6 | -65.7 | 148.4 | 0 | 0 | 0 | 118.9 | | |
| 518 | S | 25.5 | Very low | 28.6 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | 57.2 | 116.7 | 131.8 | 65.6 | 0 | 0 | 0 | 0 | 121 | | |
| 519 | H | 34.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 142 Ų | 142 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | | | trans | -129 | 130.3 | 130.6 | -82.2 | -65.2 | 0 | 0 | 0 | 110.3 | | |
| 520 | S | 27.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -113.5 | 162.5 | -178.1 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 521 | K | 30.9 | Very low | 28.3 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | trans | -176.9 | 157.3 | 146.5 | -102.4 | 153.5 | -173.1 | -177.3 | 0 | 111.8 | | |
| 522 | S | 29.9 | Very low | 28 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 47 | 97.9 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 523 | L | 26.7 | Very low | 28.1 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | cis | 62.2 | 90.6 | 26.2 | -163.2 | 155.8 | 0 | 0 | 0 | 113.5 | | |
| 524 | L | 27.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -167.8 | 155.8 | 135 | -105.2 | 162.8 | 0 | 0 | 0 | 109 | | |
| 525 | E | 26 | Very low | 28.2 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | | | trans | -76.5 | 167.9 | -172.3 | -69.1 | 124.5 | 101 | 0 | 0 | 115.1 | | |
| 526 | S | 26.7 | Very low | 28 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -134.2 | 57.2 | 156 | -67.3 | 0 | 0 | 0 | 0 | 110 | H528 | S526-H528 PolarHBondContact O-N 3.16Š|
| 527 | N | 27.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | trans | -76.5 | 102.9 | 163.5 | -85.2 | -38.3 | 0 | 0 | 0 | 109.3 | | |
| 528 | H | 28.2 | Very low | 28.3 | Very low | 178 Ų | 178 | 147 Ų | 147 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 66.7 | 159.9 | 153.5 | -92.5 | -97.2 | 0 | 0 | 0 | 120.4 | S526 | S526-H528 PolarHBondContact O-N 3.16Š|
| 529 | V | 27.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | | | trans | 65 | 92.4 | 166.3 | -177.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 530 | E | 26.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | | 62.3 | 152.7 | 115.9 | -127.3 | -172.1 | 157.1 | 0 | 0 | 123.6 | | |
| 531 | M | 26.8 | Very low | 28.6 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | trans | 74 | 121.3 | 158.6 | -76.3 | -174.8 | -85.1 | 0 | 0 | 122 | | |
| 532 | T | 30.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 65.1 | 91.6 | 142.1 | 54.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 533 | K | 28 | Very low | 28.7 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | | 40.4 | 112.4 | 96.9 | -169.1 | -164.2 | -172.8 | 179.3 | 0 | 116.8 | | |
| 534 | I | 29.6 | Very low | 29 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | | 177.8 | 138.9 | 126.1 | -93.5 | 158.3 | 0 | 0 | 0 | 113.7 | | |
| 535 | N | 29.2 | Very low | 28.9 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | 43.4 | 124.8 | 159.6 | -66.6 | -5.1 | 0 | 0 | 0 | 123.8 | | |
| 536 | F | 27.3 | Very low | 29.2 | Very low | 203 Ų | 203 | 145 Ų | 145 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 150.9 | 144.1 | -69.7 | -104 | 0 | 0 | 0 | 111.4 | | |
| 537 | N | 29.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -146.6 | 107.9 | 153.1 | -165.3 | 16.9 | 0 | 0 | 0 | 112 | S539 | N537-S539 PolarHBondContact O-N 3.01Š|
| 538 | P | 28.7 | Very low | 29.4 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -94.6 | 66.7 | -172.6 | 37.2 | -35 | 0 | 0 | 0 | 112.9 | | |
| 539 | S | 26.2 | Very low | 29.7 | Very low | 78 Ų | 78 | 143.6 Ų | 143.6 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | trans | -156.6 | 76.7 | -176.8 | 66.6 | 0 | 0 | 0 | 0 | 116.9 | N537 | N537-S539 PolarHBondContact O-N 3.01Š|
| 540 | T | 33.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | | | trans | -158.9 | 125.8 | 154 | 13 | 0 | 0 | 0 | 0 | 111.8 | | |
| 541 | L | 33.5 | Very low | 30 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -86 | 162 | 154.7 | -68.7 | 165.9 | 0 | 0 | 0 | 108.1 | | |
| 542 | P | 30.6 | Very low | 30 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | | -141.6 | 171.5 | 99.3 | 37.7 | -24.3 | 0 | 0 | 0 | 115.1 | | |
| 543 | F | 33.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -96.6 | 139.3 | 162.7 | -80.5 | -112.3 | 0 | 0 | 0 | 109.4 | | |
| 544 | E | 32.9 | Very low | 30.3 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -155.9 | 126.7 | 152.7 | -106.2 | 157.5 | 177.6 | 0 | 0 | 106.1 | | |
| 545 | T | 26.1 | Very low | 30.3 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | cis | 79.6 | 105.5 | 42.3 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 546 | I | 32.5 | Very low | 30.5 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | 169.5 | 142.8 | 152 | -91.8 | 149.8 | 0 | 0 | 0 | 105.6 | | |
| 547 | Q | 28.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | cis | 162 | 160.3 | -27.4 | -113.9 | -169.9 | -4.7 | 0 | 0 | 105.5 | | |
| 548 | I | 30.4 | Very low | 30.6 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | | | trans | 71 | 127.6 | 154.9 | -72.4 | 160.6 | 0 | 0 | 0 | 115 | | |
| 549 | N | 33.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | cis | -158.5 | 178.8 | 9.9 | -111.5 | 17.5 | 0 | 0 | 0 | 109.5 | | |
| 550 | E | 28 | Very low | 30.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | | | cis | -179.3 | -179 | -28.2 | -178.4 | 158.4 | -130.3 | 0 | 0 | 107.9 | | |
| 551 | Y | 31.8 | Very low | 31 | Very low | 191 Ų | 191 | 136 Ų | 136 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | | | trans | 74.6 | 126.6 | 179.7 | -57 | -86.2 | 0 | 0 | 0 | 115.7 | | |
| 552 | T | 28 | Very low | 30.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | | | cis | 71 | 137.5 | 25.7 | 81.6 | 0 | 0 | 0 | 0 | 115 | | |
| 553 | S | 33.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | cis | -96.8 | 176.8 | 6.9 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 554 | S | 29.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | cis | 71.5 | 148.8 | 31 | -57 | 0 | 0 | 0 | 0 | 116 | | |
| 555 | D | 31.5 | Very low | 30.9 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | | | trans | 77.3 | 143.2 | 173 | -48.3 | -34.9 | 0 | 0 | 0 | 115.8 | | |
| 556 | E | 32.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | | | cis | -159.9 | 173.6 | 1.8 | -130.1 | -175.3 | 172.7 | 0 | 0 | 113.6 | | |
| 557 | L | 30.2 | Very low | 31 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | | | trans | 38.1 | 116.6 | 154 | -96.5 | 64 | 0 | 0 | 0 | 121.5 | | |
| 558 | S | 28.9 | Very low | 31 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | | 84 | 158.2 | 93.2 | 88.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 559 | C | 29.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | | | cis | -157.7 | 159.3 | 10.2 | -141.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 560 | D | 31.3 | Very low | 30.5 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 57% | 0.572 | 71% | 0.71 | S | S | * | * | | | trans | 41.9 | 118.1 | 144.2 | -78.1 | 16 | 0 | 0 | 0 | 121.7 | | |
| 561 | K | 34.9 | Very low | 30.5 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | | -176.8 | 130 | 61 | -101.1 | 142.2 | 178.6 | 98.5 | 0 | 109.8 | | |
| 562 | I | 31.8 | Very low | 30.3 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | | | | 76.6 | 92.1 | 79.1 | -66.6 | 166.2 | 0 | 0 | 0 | 114.5 | | |
| 563 | K | 34.5 | Very low | 30.3 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | | -178.5 | 121.8 | 118.7 | -95.1 | 173.9 | 174.8 | -176.1 | 0 | 110.3 | | |
| 564 | E | 29 | Very low | 29.9 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | | | | 66.9 | 134.9 | 76.5 | -65.9 | -170.7 | 104.6 | 0 | 0 | 113.3 | | |
| 565 | V | 32.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | | | cis | -150.7 | 166.2 | -1.8 | 108.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 566 | T | 26.6 | Very low | 29.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -89.6 | -178.8 | -175.9 | 5.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 567 | P | 34.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | | | trans | -88.7 | 152.1 | -148.6 | 36.7 | -38.7 | 0 | 0 | 0 | 115.8 | | |
| 568 | I | 27.6 | Very low | 29.2 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | -137.7 | 118.4 | 172.7 | -66.2 | -174.8 | 0 | 0 | 0 | 111.3 | | |
| 569 | L | 26.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | trans | 37 | 142.5 | 140.5 | -81.4 | 66.2 | 0 | 0 | 0 | 124 | | |
| 570 | D | 27.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | | | trans | 71.3 | 134.5 | 131 | -64.7 | 9.8 | 0 | 0 | 0 | 123.9 | | |
| 571 | N | 28.8 | Very low | 29.1 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | | | trans | 63.7 | 156.9 | 136.6 | -62.7 | -3.4 | 0 | 0 | 0 | 119.1 | | |
| 572 | E | 26.5 | Very low | 28.8 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | | | cis | -163.6 | 174 | -21.3 | -117.1 | -165.6 | 136.9 | 0 | 0 | 107.5 | | |
| 573 | L | 28 | Very low | 28.8 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | 63.5 | 166.1 | 158.9 | -92.3 | 65.8 | 0 | 0 | 0 | 116.3 | | |
| 574 | S | 26.7 | Very low | 28.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 51% | 0.51 | 71% | 0.713 | S | S | . | * | | | cis | -167.7 | -161.8 | -38.4 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 575 | Y | 29.3 | Very low | 28.8 | Very low | 203 Ų | 203 | 122.7 Ų | 122.7 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | | | trans | 73.1 | 107.7 | 176.3 | -60.6 | -75.6 | 0 | 0 | 0 | 115.3 | | |
| 576 | S | 26.6 | Very low | 28.7 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | | | | 81.9 | 142.6 | 64.5 | 78.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 577 | C | 25.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | | | cis | -129.2 | 162.3 | 7.6 | -102.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 578 | S | 26.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | | | | 58.5 | 134.2 | 66.1 | -32.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 579 | T | 28.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | cis | -155.8 | 168.8 | 31.1 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 580 | S | 29.4 | Very low | 28.5 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | 51.1 | 154.8 | 137.9 | 62.6 | 0 | 0 | 0 | 0 | 123 | | |
| 581 | S | 29 | Very low | 28.6 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | | | cis | 176.5 | 155.4 | -21.1 | 56.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 582 | N | 29.8 | Very low | 28.5 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | | | trans | 65.7 | 162.8 | 151.8 | -66.3 | 23.3 | 0 | 0 | 0 | 117.3 | | |
| 583 | E | 31 | Very low | 28.7 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | | | cis | -160.8 | 164.3 | -20 | -111.5 | 164.9 | 160.3 | 0 | 0 | 111.3 | | |
| 584 | V | 30.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 81% | 0.806 | 68% | 0.677 | S | S | * | * | | | trans | 50.9 | 127.3 | 144.7 | 175.7 | 0 | 0 | 0 | 0 | 122 | | |
| 585 | G | 32.6 | Very low | 28.7 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | | | trans | 91.8 | 154 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 586 | T | 31.4 | Very low | 28.6 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | | | cis | -152.9 | 149.3 | -12 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 587 | T | 25.5 | Very low | 28.5 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | | | trans | -93 | 148.1 | -178.1 | 45.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 588 | V | 29.2 | Very low | 28.7 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | | | trans | -140.1 | 144 | 160.3 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | V590 | V588-V590 HydrophobicContact CG1-CG2 4.4Š|
| 589 | S | 25.8 | Very low | 28.8 | Very low | 93 Ų | 93 | 114.7 Ų | 114.7 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | | | trans | -152.9 | 140 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 590 | V | 29.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | | | trans | -161.8 | 156.1 | -178.4 | -128.3 | 0 | 0 | 0 | 0 | 109.8 | V588 T1514 | V588-V590 HydrophobicContact CG1-CG2 4.4Å; V590-T1514 CarbonylContact C-O 3.31Å; V590-T1514 VanDerWaalsContact C-O 3.23Å; V590-T1514 PolarHBondContact N-O 2.98Å |
| 591 | P | 29.8 | Very low | 28.7 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 53% | 0.532 | 68% | 0.678 | S | S | . | * | | | | -124.8 | -174.9 | -69.3 | 40.4 | -27.8 | 0 | 0 | 0 | 112.8 | T1515 | P591-T1515 PolarHBondContact O-OG1 3.06Š|
| 592 | L | 25.9 | Very low | 28.7 | Very low | 80 Ų | 80 | 116.9 Ų | 116.9 | 42% | 0.419 | 69% | 0.685 | S | S | . | * | | | trans | -103.4 | 148.7 | 166.3 | -153.9 | 76.8 | 0 | 0 | 0 | 110.7 | D594 T1513 T1514 | L592-D594 HydrophobicContact CD2-CB 4.21Å; L592-D594 HydrophobicContact CG-CB 4.4Å; L592-T1513 HydrophobicContact CB-CG2 3.5Å; L592-T1513 VanDerWaalsContact CB-CG2 3.5Å; L592-T1513 WeakPolarHBondContact CB-OG1 3.33Å; L592-T1513 HydrophobicContact CD2-CG2 4.03Å; L592-T1513 HydrophobicContact CG-CG2 4.42Å; L592-T1513 PolarHBondContact N-OG1 2.65Å; L592-T1513 PolarHBondContact O-OG1 3.19Å; L592-T1513 VanDerWaalsContact O-OG1 3.04Å; L592-T1514 HydrophobicContact CB-CG2 4.19Å; L592-T1514 WeakPolarHBondContact CB-OG1 3.45Å; L592-T1514 PolarHBondContact N-OG1 2.86Å |
| 593 | I | 31.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 82% | 0.821 | 68% | 0.678 | S | S | * | * | | | trans | -134.2 | 104.9 | 158 | -56.4 | 171.3 | 0 | 0 | 0 | 102.7 | | |
| 594 | D | 26.4 | Very low | 28.5 | Very low | 62 Ų | 62 | 116.1 Ų | 116.1 | 33% | 0.332 | 68% | 0.679 | S | S | . | * | | | cis | 74.4 | 122.7 | 23.9 | -149.5 | 16.5 | 0 | 0 | 0 | 113.6 | L592 S1512 | L592-D594 HydrophobicContact CD2-CB 4.21Å; L592-D594 HydrophobicContact CG-CB 4.4Å; D594-S1512 PolarHBondContact OD2-OG 2.65Å |
| 595 | L | 27.3 | Very low | 28.5 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 62% | 0.623 | 67% | 0.669 | S | S | * | * | | | trans | 66.6 | 150 | 175.7 | -52.9 | 158.7 | 0 | 0 | 0 | 115.2 | | |
| 596 | N | 26.5 | Very low | 28.2 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | | | cis | -163.2 | -178.6 | -24.8 | -119.7 | 5.4 | 0 | 0 | 0 | 109.8 | | |
| 597 | T | 26.2 | Very low | 28 | Very low | 104 Ų | 104 | 116 Ų | 116 | 64% | 0.638 | 66% | 0.664 | S | S | * | * | | | trans | 35.4 | 123.2 | 149.4 | 54 | 0 | 0 | 0 | 0 | 121.4 | | |
| 598 | D | 29.7 | Very low | 28.1 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | | | | -163.7 | 124.8 | 106 | -86.5 | -18.5 | 0 | 0 | 0 | 108 | | |
| 599 | I | 27.5 | Very low | 28.1 | Very low | 136 Ų | 136 | 115.8 Ų | 115.8 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | | | | 72.4 | 95.9 | 68 | -62.2 | 174.6 | 0 | 0 | 0 | 112.6 | | |
| 600 | C | 28 | Very low | 28.3 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | | | trans | 168.3 | 142.1 | 136 | -86.7 | 0 | 0 | 0 | 0 | 110 | | |
| 601 | S | 28.1 | Very low | 28.5 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | | | cis | -164.6 | 168 | -19.9 | -89.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 602 | N | 28.5 | Very low | 28.6 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | | | trans | 79.9 | 117 | 166 | -53 | -7.8 | 0 | 0 | 0 | 117 | | |
| 603 | N | 30.4 | Very low | 28.7 | Very low | 98 Ų | 98 | 116.6 Ų | 116.6 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | | | cis | -133.7 | 152.7 | -4.4 | -81.9 | -19 | 0 | 0 | 0 | 111.5 | | |
| 604 | F | 28.1 | Very low | 28.6 | Very low | 168 Ų | 168 | 116 Ų | 116 | 74% | 0.737 | 65% | 0.651 | S | S | * | * | | | trans | -94.4 | 158.6 | 164.7 | -78.3 | -99.9 | 0 | 0 | 0 | 108.7 | I606 | F604-I606 HydrophobicContact CB-CD1 4.35Å; F604-I606 HydrophobicContact CB-CG1 4.15Å; F604-I606 HydrophobicContact CD1-CG1 4.27Å |
| 605 | P | 29.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | | | | -96.7 | 148.6 | 65.9 | -18.2 | 35.9 | 0 | 0 | 0 | 114 | | |
| 606 | I | 25.7 | Very low | 28.9 | Very low | 131 Ų | 131 | 119 Ų | 119 | 67% | 0.672 | 68% | 0.676 | S | S | * | * | | | cis | 69.4 | 127.9 | 49.4 | -57.9 | 158.4 | 0 | 0 | 0 | 109.4 | F604 | F604-I606 HydrophobicContact CB-CD1 4.35Å; F604-I606 HydrophobicContact CB-CG1 4.15Å; F604-I606 HydrophobicContact CD1-CG1 4.27Å |
| 607 | S | 27.5 | Very low | 29 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | | | cis | -154.2 | 175.6 | 21.6 | 14.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 608 | V | 27.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | | | cis | 179.1 | 170.8 | -32.5 | 134.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 609 | D | 29.8 | Very low | 29 | Very low | 143 Ų | 143 | 118.7 Ų | 118.7 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | | | trans | 73 | 148.8 | 167.5 | -74.7 | -14 | 0 | 0 | 0 | 120.6 | | |
| 610 | M | 30.5 | Very low | 28.8 | Very low | 150 Ų | 150 | 118.3 Ų | 118.3 | 74% | 0.739 | 68% | 0.676 | S | S | * | * | | | cis | -170.6 | 173.4 | -38.2 | -119.7 | -55.6 | -176.4 | 0 | 0 | 108.9 | | |
| 611 | D | 33.1 | Very low | 28.9 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 43% | 0.433 | 67% | 0.672 | S | S | . | * | | | trans | 64.3 | 150.6 | 160.6 | -68.1 | -46.7 | 0 | 0 | 0 | 118.3 | K1506 Q1507 | D611-K1506 VanDerWaalsContact OD1-C 3.31Å; D611-K1506 PolarHBondContact OD2-N 3.08Å; D611-Q1507 PolarHBondContact OD1-N 3.39Å |
| 612 | S | 31.6 | Very low | 28.8 | Very low | 75 Ų | 75 | 120.1 Ų | 120.1 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | | | cis | -158.7 | 167.3 | -22.9 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | K1506 Q1507 | S612-K1506 VanDerWaalsContact CB-C 3.41Å; S612-K1506 VanDerWaalsContact CB-O 3.26Å; S612-K1506 WeakPolarHBondContact CB-O 3.19Å; S612-K1506 PolarHBondContact OG-O 2.79Å; S612-Q1507 WeakPolarHBondContact CB-O 3.35Å |
| 613 | T | 29 | Very low | 28.7 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | | | trans | -103.7 | 136.5 | 178.7 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | L1508 F1509 | T613-L1508 PolarHBondContact O-N 2.91Å; T613-L1508 PolarHBondContact OG1-O 3.49Å; T613-F1509 WeakPolarHBondContact CB-O 3.07Å; T613-F1509 PolarHBondContact OG1-N 3.17Å; T613-F1509 VanDerWaalsContact OG1-N 3.16Å; T613-F1509 PolarHBondContact OG1-O 3.27Å |
| 614 | N | 30.3 | Very low | 28.7 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | | | trans | -160.1 | 167.1 | 150.1 | -139.4 | -33 | 0 | 0 | 0 | 113.8 | | |
| 615 | S | 32.2 | Very low | 28.9 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | | | trans | 32 | 103.1 | 156.9 | 58.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 616 | N | 27.5 | Very low | 28.7 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | | | cis | 58.3 | 146.9 | 36.6 | -137.5 | 23.5 | 0 | 0 | 0 | 113.4 | | |
| 617 | D | 28.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | | | trans | 68.8 | 150.1 | 178.8 | -85.9 | -45.9 | 0 | 0 | 0 | 119.8 | | |
| 618 | V | 28.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | | | trans | 65 | 129.7 | 157 | 166.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 619 | T | 28.2 | Very low | 29 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | | | cis | -153.3 | 172.9 | -18.3 | -85.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 620 | I | 23.7 | Very low | 29 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | | | trans | -35 | 143.9 | 152.2 | -49.1 | 160.2 | 0 | 0 | 0 | 110.9 | | |
| 621 | H | 29.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | | | trans | 155.7 | 110 | 137.8 | -74.9 | -45.2 | 0 | 0 | 0 | 108.3 | | |
| 622 | S | 25.4 | Very low | 28.9 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | | | | 87.2 | 131.7 | 52.9 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 623 | L | 27.8 | Very low | 28.9 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | | | trans | 82.1 | 155.7 | 160.6 | -59.9 | 151.2 | 0 | 0 | 0 | 117.8 | | |
| 624 | T | 28.7 | Very low | 29.1 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | | | trans | 60.4 | 122.9 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 625 | D | 32.1 | Very low | 29.3 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | cis | -134.7 | 142.3 | -11.8 | -78.6 | -39.5 | 0 | 0 | 0 | 107.9 | | |
| 626 | E | 27 | Very low | 29.3 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 70 | 125.3 | 61.7 | -88 | -58.4 | 163.4 | 0 | 0 | 116.8 | | |
| 627 | T | 28.5 | Very low | 29.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | trans | 72.5 | 155.4 | 171.7 | 83 | 0 | 0 | 0 | 0 | 121.7 | | |
| 628 | K | 32.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | | | trans | 74.5 | 84 | 158.7 | -68.6 | 166.4 | -173 | 165.7 | 0 | 120.2 | | |
| 629 | L | 24.2 | Very low | 30 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | | -21.6 | 140.7 | 124.1 | -75.9 | 154.1 | 0 | 0 | 0 | 113.6 | | |
| 630 | P | 31 | Very low | 30.3 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | | -144.6 | 150.5 | 101.1 | 29.5 | -10.8 | 0 | 0 | 0 | 117.8 | | |
| 631 | V | 34.1 | Very low | 30.5 | Very low | 118 Ų | 118 | 147 Ų | 147 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | 67.6 | 88.6 | 139.5 | -179 | 0 | 0 | 0 | 0 | 119.2 | V633 | V631-V633 HydrophobicContact CG1-CG2 3.65Å; V631-V633 PolarHBondContact O-N 2.98Å |
| 632 | L | 27.5 | Very low | 30.7 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | -54.2 | 111.2 | 145.2 | 173.5 | 94.5 | 0 | 0 | 0 | 112.6 | | |
| 633 | V | 32.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | | | trans | -128.6 | 141.5 | 157.4 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | V631 | V631-V633 HydrophobicContact CG1-CG2 3.65Å; V631-V633 PolarHBondContact O-N 2.98Å |
| 634 | K | 32.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | -97.1 | 138.8 | -176.8 | -61.3 | 159.6 | -176 | 157 | 0 | 110.7 | | |
| 635 | Q | 34.6 | Very low | 31 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | | | trans | -115 | 148.3 | 148.4 | -69.1 | -160.5 | 7.1 | 0 | 0 | 110.6 | | |
| 636 | P | 31.3 | Very low | 30.8 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | | | trans | -92 | 112.7 | -164.2 | 33.6 | -33.7 | 0 | 0 | 0 | 113.7 | R638 | P636-R638 PolarHBondContact O-N 3.12Š|
| 637 | I | 32.5 | Very low | 30.9 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | -64.2 | 106.2 | 170.8 | -58 | 174.3 | 0 | 0 | 0 | 110 | | |
| 638 | R | 32.2 | Very low | 30.9 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 136.6 | 162.6 | -93.6 | 178.1 | 162.8 | 144.1 | -11.6 | 109.2 | P636 Q640 | P636-R638 PolarHBondContact O-N 3.12Å; R638-Q640 PolarHBondContact O-N 3.29Å |
| 639 | K | 33.6 | Very low | 30.6 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 122.4 | 178.8 | -64.5 | 177.8 | 179.1 | 177.3 | 0 | 110.5 | | |
| 640 | Q | 34.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 145.2 | 163.4 | -73.9 | 177.5 | -26.7 | 0 | 0 | 110.5 | R638 | R638-Q640 PolarHBondContact O-N 3.29Š|
| 641 | P | 29.8 | Very low | 30.9 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 54% | 0.539 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 132.5 | 168.1 | -22.6 | 37.1 | 0 | 0 | 0 | 110.9 | T338 | T338-P641 HydrophobicContact CG2-CB 4.04Å; T338-P641 HydrophobicContact CG2-CG 3.62Å |
| 642 | R | 32.7 | Very low | 30.6 | Very low | 220 Ų | 220 | 137.8 Ų | 137.8 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 119.9 | -178 | -175.4 | 177.7 | -173.9 | 166.1 | 5.4 | 110.6 | | |
| 643 | L | 29.1 | Very low | 30.8 | Very low | 53 Ų | 53 | 138.1 Ų | 138.1 | 28% | 0.277 | 73% | 0.731 | S | S | . | * | | | trans | -109.7 | 171 | 177.1 | -74.3 | 139.6 | 0 | 0 | 0 | 110.9 | L336 A337 T338 | L336-L643 HydrophobicContact CB-CD1 4.07Å; L336-L643 HydrophobicContact CG-CB 4.25Å; L336-L643 HydrophobicContact CG-CD1 3.92Å; A337-L643 HydrophobicContact CB-CD2 3.99Å; A337-L643 VanDerWaalsContact O-CD1 3.25Å; A337-L643 WeakPolarHBondContact O-CD1 3.48Å; A337-L643 WeakPolarHBondContact O-CD2 3.37Å; T338-L643 HydrophobicContact CG2-CD1 4.43Å; T338-L643 WeakPolarHBondContact OG1-CD1 3.2Å |
| 644 | R | 28.5 | Very low | 30.8 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | | | trans | -153.6 | 91.5 | -175.2 | -77.7 | -169.2 | 173.2 | -157.9 | -3.7 | 109.7 | | |
| 645 | S | 30.5 | Very low | 30.8 | Very low | 56 Ų | 56 | 136.1 Ų | 136.1 | 39% | 0.392 | 73% | 0.731 | S | S | . | * | | | trans | -85.9 | 176.2 | 153.9 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | D335 | D335-S645 WeakPolarHBondContact CA-OG 3.23Å; D335-S645 VanDerWaalsContact OD1-CB 3.32Å; D335-S645 WeakPolarHBondContact OD1-CB 3.47Å; D335-S645 PolarHBondContact OD1-N 3.45Å; D335-S645 PolarHBondContact OD1-OG 2.98Å; D335-S645 PolarHBondContact OD2-N 2.88Å |
| 646 | V | 27.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | | | trans | -131.5 | 125.1 | -165.8 | -177 | 0 | 0 | 0 | 0 | 109.5 | | |
| 647 | S | 30.1 | Very low | 30.3 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | 170.9 | 174.3 | 146.5 | -83.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 648 | G | 27.4 | Very low | 30.2 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | 86.8 | 108.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 649 | G | 27.7 | Very low | 30.1 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -86.4 | -176.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 650 | S | 28.1 | Very low | 30.1 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | trans | 55.6 | 105.3 | 170.3 | -171.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 651 | H | 32.8 | Very low | 29.9 | Very low | 180 Ų | 180 | 127 Ų | 127 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | | | | -146.1 | 144.3 | 98.8 | -101.6 | -82 | 0 | 0 | 0 | 109 | | |
| 652 | N | 28.7 | Very low | 30 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | | | trans | -86.8 | 130.4 | 175.3 | -64 | -46.9 | 0 | 0 | 0 | 109 | | |
| 653 | D | 31.7 | Very low | 29.8 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | | | trans | -140.9 | 133.2 | 156.9 | -95 | -49.5 | 0 | 0 | 0 | 109.1 | | |
| 654 | L | 30.6 | Very low | 29.9 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 67% | 0.665 | 72% | 0.722 | S | S | * | * | | | trans | -95.7 | 144.2 | -164 | -62.7 | 79 | 0 | 0 | 0 | 111.8 | I656 | L654-I656 HydrophobicContact CB-CG1 3.76Å; L654-I656 PolarHBondContact O-N 2.73Å; L654-I656 VanDerWaalsContact O-N 3.08Å |
| 655 | P | 34.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | | | trans | -73.5 | 83.6 | 140.3 | 32.3 | -28.5 | 0 | 0 | 0 | 108.3 | | |
| 656 | I | 25.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | | | trans | -54.4 | 149.7 | 167.8 | -46.8 | 169.2 | 0 | 0 | 0 | 108.8 | L654 | L654-I656 HydrophobicContact CB-CG1 3.76Å; L654-I656 PolarHBondContact O-N 2.73Å; L654-I656 VanDerWaalsContact O-N 3.08Å |
| 657 | I | 28.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | | | | 156.5 | 128 | 125.1 | -79.5 | 165 | 0 | 0 | 0 | 112 | | |
| 658 | K | 30.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | | | trans | 68.2 | 128.5 | 168.9 | -67 | 154.6 | -168.2 | 178.1 | 0 | 115.9 | | |
| 659 | N | 30.2 | Very low | 30.4 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | | | cis | -155.9 | 125.9 | 1.7 | -111.5 | 7 | 0 | 0 | 0 | 109.1 | | |
| 660 | T | 32.6 | Very low | 30.5 | Very low | 100 Ų | 100 | 133 Ų | 133 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | | | | 63.5 | 132.7 | 90.4 | 63 | 0 | 0 | 0 | 0 | 115.2 | | |
| 661 | M | 31.9 | Very low | 30.4 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | cis | -139.6 | 166 | -10.9 | -64.4 | -150.5 | -179.4 | 0 | 0 | 107.5 | | |
| 662 | N | 30.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | | -158.6 | 160.8 | 58.3 | -80.4 | -2.7 | 0 | 0 | 0 | 108.5 | | |
| 663 | S | 29.5 | Very low | 29.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | cis | -170.5 | 150.1 | -11.8 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 664 | I | 30.4 | Very low | 29.7 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | 66.8 | 129.5 | 159.9 | -60.3 | 156.6 | 0 | 0 | 0 | 116.3 | | |
| 665 | N | 29.4 | Very low | 29.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | cis | -146.5 | 158.1 | -19.5 | -117.2 | -5.5 | 0 | 0 | 0 | 111.2 | | |
| 666 | P | 35 | Very low | 29.3 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | -106 | -151.4 | -177.4 | 43.2 | -35.8 | 0 | 0 | 0 | 112.6 | | |
| 667 | S | 30.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | 79.2 | 145.8 | -178.3 | 82 | 0 | 0 | 0 | 0 | 114.9 | | |
| 668 | N | 31.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | -113.4 | 141 | -15.1 | -87.7 | -52.7 | 0 | 0 | 0 | 108.4 | | |
| 669 | I | 28.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | | | | 62.1 | 136.1 | 63 | -52.9 | 177.3 | 0 | 0 | 0 | 112.8 | | |
| 670 | T | 29.1 | Very low | 29 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 71% | 0.711 | S | S | * | * | | | trans | 106.4 | 112.3 | 164.5 | -39.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 671 | V | 25.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | | | trans | -73.4 | 129.3 | 168 | 173.9 | 0 | 0 | 0 | 0 | 110 | | |
| 672 | Q | 27.8 | Very low | 28.4 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | | | trans | -152.9 | 139.7 | 151.6 | -120.2 | -178.6 | 47.3 | 0 | 0 | 112.1 | | |
| 673 | C | 22.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | | | trans | -92.9 | 133 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 674 | K | 29.8 | Very low | 28.2 | Very low | 190 Ų | 190 | 121.7 Ų | 121.7 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | | | trans | -157.4 | 144.7 | 160.3 | -113.8 | 165.1 | -174.2 | 173.8 | 0 | 111.3 | | |
| 675 | H | 25.7 | Very low | 28 | Very low | 96 Ų | 96 | 121 Ų | 121 | 44% | 0.444 | 68% | 0.681 | S | S | . | * | | | trans | -94.5 | 120.5 | 170.7 | -78.4 | -99.4 | 0 | 0 | 0 | 110.3 | S329 | S329-H675 VanDerWaalsContact CB-CD2 3.49Å; S329-H675 WeakPolarHBondContact CB-CD2 3.41Å; S329-H675 WeakPolarHBondContact CB-ND1 3.44Å |
| 676 | Q | 30.1 | Very low | 27.9 | Very low | 180 Ų | 180 | 118.6 Ų | 118.6 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | | | trans | -158.7 | 120.3 | 155.6 | -101.1 | 158 | 1.4 | 0 | 0 | 103.5 | | |
| 677 | L | 24.6 | Very low | 27.6 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | | | cis | 68.1 | 126.4 | 41.9 | -139.1 | 174.5 | 0 | 0 | 0 | 110.8 | | |
| 678 | S | 25.8 | Very low | 27.4 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | | | trans | 92.4 | 149.7 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 679 | A | 29 | Very low | 27.2 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 55% | 0.554 | 68% | 0.683 | S | S | * | * | | | trans | 87 | 112.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 680 | L | 28 | Very low | 27.1 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 63% | 0.628 | 68% | 0.684 | S | S | * | * | | | | 37.7 | 101.8 | 125.7 | -58.5 | 131.1 | 0 | 0 | 0 | 117.8 | S258 | S258-L680 WeakPolarHBondContact OG-CA 3.26Å; S258-L680 PolarHBondContact OG-N 2.72Å |
| 681 | S | 25.4 | Very low | 27.1 | Very low | 48 Ų | 48 | 122.9 Ų | 122.9 | 34% | 0.336 | 68% | 0.682 | S | S | . | * | | | | 55.3 | 116.2 | 79.1 | 75.1 | 0 | 0 | 0 | 0 | 116.2 | T256 | T256-S681 WeakPolarHBondContact O-CB 3.36Å; T256-S681 PolarHBondContact O-OG 2.8Å |
| 682 | N | 26.8 | Very low | 27.2 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | | | | -175.4 | 157.8 | 116.2 | -92.4 | -33.6 | 0 | 0 | 0 | 113.9 | T256 | T256-N682 PolarHBondContact O-OD1 3.28Å; T256-N682 WeakPolarHBondContact OG1-CA 3.16Å; T256-N682 PolarHBondContact OG1-OD1 2.81Å |
| 683 | L | 29.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 60% | 0.602 | 68% | 0.684 | S | S | * | * | | | trans | 44 | 116.8 | 160.3 | -86.3 | 51.7 | 0 | 0 | 0 | 118.5 | T256 | T256-L683 PolarHBondContact OG1-N 2.96Š|
| 684 | S | 25.9 | Very low | 27.6 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 51% | 0.51 | 69% | 0.685 | S | S | . | * | | | cis | 85.7 | 115.8 | 43.4 | -169.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 685 | T | 26.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | | | trans | 65.4 | 157.7 | 164.9 | 57.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 686 | S | 28.1 | Very low | 27.7 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | cis | -150.3 | 159.1 | 16.8 | 88.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 687 | Y | 27.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | | | trans | 57.7 | 140.8 | 157.6 | -68.2 | -69 | 0 | 0 | 0 | 123.9 | K1437 | Y687-K1437 HydrophobicContact CE2-CD 4.34Å; Y687-K1437 WeakPolarHBondContact OH-CD 3.34Å; Y687-K1437 VanDerWaalsContact OH-CE 3.24Å; Y687-K1437 WeakPolarHBondContact OH-CE 3.28Å; Y687-K1437 PolarHBondContact OH-NZ 2.77Å |
| 688 | I | 26.5 | Very low | 27.9 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | | | trans | -96.3 | 150 | -177.8 | -65.6 | 160.1 | 0 | 0 | 0 | 109 | T690 | I688-T690 HydrophobicContact CG2-CG2 3.91Š|
| 689 | T | 27.8 | Very low | 28.3 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | | | trans | -129.3 | 112 | 155 | -37.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 690 | T | 27.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | -84.6 | 112.4 | -178.7 | 31.8 | 0 | 0 | 0 | 0 | 111.2 | I688 | I688-T690 HydrophobicContact CG2-CG2 3.91Š|
| 691 | V | 29.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -102.5 | 93.7 | 166 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | K693 | V691-K693 PolarHBondContact O-N 3.36Š|
| 692 | N | 27.7 | Very low | 28.4 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | -77 | 92.5 | -176.1 | -158.1 | -4.7 | 0 | 0 | 0 | 110.9 | | |
| 693 | K | 31.7 | Very low | 28.4 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -118.7 | 85.2 | 171.3 | -88 | -177.9 | 176.1 | 170.6 | 0 | 111.5 | V691 K695 | V691-K693 PolarHBondContact O-N 3.36Å; K693-K695 PolarHBondContact O-N 2.66Å |
| 694 | Q | 27 | Very low | 28.5 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -58.7 | 88 | 176.7 | -169.6 | -179 | 45.2 | 0 | 0 | 112.2 | | |
| 695 | K | 30.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -103 | 97.7 | 175.7 | -162.7 | 173.1 | -174.2 | 178.6 | 0 | 110.6 | K693 C697 | K693-K695 PolarHBondContact O-N 2.66Å; K695-C697 PolarHBondContact O-N 3.04Å |
| 696 | V | 27.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | trans | -64.5 | 106.2 | -179.5 | 179 | 0 | 0 | 0 | 0 | 110.6 | | |
| 697 | C | 29.8 | Very low | 29 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 69% | 0.689 | 77% | 0.772 | S | S | * | * | | | trans | -109.2 | 96.4 | 175.3 | -74.2 | 0 | 0 | 0 | 0 | 110.9 | K695 I699 | K695-C697 PolarHBondContact O-N 3.04Å; C697-I699 PolarHBondContact O-N 3Å |
| 698 | K | 28.5 | Very low | 29 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -76.7 | 114 | 163.2 | -65.7 | -180 | 180 | 179.6 | 0 | 109.3 | | |
| 699 | I | 33.2 | Very low | 29.2 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | | | trans | -140 | 143.6 | 154.2 | -85.4 | 111.2 | 0 | 0 | 0 | 107.8 | C697 | C697-I699 PolarHBondContact O-N 3Š|
| 700 | D | 28.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -120.6 | 177.3 | -161.4 | -154 | -23 | 0 | 0 | 0 | 111.8 | | |
| 701 | N | 28.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | 78.7 | 75.7 | 168.1 | -61.7 | -70.6 | 0 | 0 | 0 | 118.7 | | |
| 702 | G | 28.8 | Very low | 29.3 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | trans | -121.5 | 46.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R704 | G702-R704 PolarHBondContact O-N 3.41Š|
| 703 | R | 26.9 | Very low | 29.6 | Very low | 190 Ų | 190 | 146 Ų | 146 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | -50.1 | 83.9 | -159 | -155.3 | -176 | -152.2 | -153.9 | 8.1 | 116.8 | | |
| 704 | R | 30.5 | Very low | 29.3 | Very low | 204 Ų | 204 | 146 Ų | 146 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -74.9 | 146.7 | 159.3 | -76.2 | -167 | 177.5 | -148 | 3.2 | 110.2 | G702 | G702-R704 PolarHBondContact O-N 3.41Š|
| 705 | R | 27.9 | Very low | 29.3 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 70% | 0.698 | 76% | 0.755 | S | S | * | * | | | trans | -94.1 | 108.4 | 172.8 | -67 | 178.1 | -179.4 | 174.2 | -4.4 | 109.5 | E1367 | R705-E1367 IonicContact CZ-OE1 2.56Å; R705-E1367 IonicContact CZ-OE2 2.74Å; R705-E1367 IonicContact NE-OE1 2.75Å; R705-E1367 VanDerWaalsContact NH1-CD 3.26Å; R705-E1367 IonicContact NH1-OE1 2.68Å; R705-E1367 PolarHBondContact NH1-OE1 2.97Å; R705-E1367 IonicContact NH1-OE2 3.1Å; R705-E1367 PolarHBondContact NH1-OE2 3Å; R705-E1367 IonicContact NH2-OE1 3.18Å; R705-E1367 PolarHBondContact NH2-OE1 3.14Å; R705-E1367 IonicContact NH2-OE2 2.97Å; R705-E1367 PolarHBondContact NH2-OE2 3.49Å |
| 706 | T | 32.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 137 | 159.3 | 43.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 707 | L | 30.9 | Very low | 29.3 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 94% | 0.937 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 125.2 | 168.1 | -73.5 | 172.9 | 0 | 0 | 0 | 108 | | |
| 708 | S | 26.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 122 | -170.3 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 709 | T | 32 | Very low | 29.2 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | trans | -111 | 107.3 | 148.9 | 54.5 | 0 | 0 | 0 | 0 | 106.3 | R432 | R432-T709 VanDerWaalsContact NH1-CG2 3.27Š|
| 710 | G | 26.4 | Very low | 28.9 | Very low | 60 Ų | 60 | 143 Ų | 143 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | | | trans | -93.5 | 146.8 | -158.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 711 | H | 30.8 | Very low | 29.1 | Very low | 194 Ų | 194 | 144 Ų | 144 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | | | trans | -139.2 | 143.8 | 141.5 | -121.2 | -67.9 | 0 | 0 | 0 | 108.6 | P713 | H711-P713 WeakPolarHBondContact O-CD 3.44Š|
| 712 | D | 30.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | | | trans | -89 | 115.6 | -173 | -177.9 | 17.3 | 0 | 0 | 0 | 111.5 | R714 | D712-R714 PolarHBondContact O-N 3.38Å; D712-R714 WeakPolarHBondContact OD2-CD 3.11Å; D712-R714 WeakPolarHBondContact OD2-CG 3.49Å; D712-R714 IonicContact OD2-NE 3.84Å |
| 713 | P | 32.2 | Very low | 29.4 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -80.1 | 61.5 | 177.9 | 34.9 | -35.8 | 0 | 0 | 0 | 111.3 | H711 Q715 | H711-P713 WeakPolarHBondContact O-CD 3.44Å; P713-Q715 PolarHBondContact O-N 3.22Å |
| 714 | R | 25.8 | Very low | 29.6 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 70% | 0.698 | 76% | 0.764 | S | S | * | * | | | trans | -80.5 | 112.7 | 175.4 | -100.7 | -176.7 | 174.2 | -117.9 | -1.2 | 111.8 | D712 | D712-R714 PolarHBondContact O-N 3.38Å; D712-R714 WeakPolarHBondContact OD2-CD 3.11Å; D712-R714 WeakPolarHBondContact OD2-CG 3.49Å; D712-R714 IonicContact OD2-NE 3.84Å |
| 715 | Q | 26.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 61.7 | 93.4 | 152.2 | -53.5 | 176.6 | 5.4 | 0 | 0 | 117.3 | P713 | P713-Q715 PolarHBondContact O-N 3.22Š|
| 716 | V | 28.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | | | trans | -127.1 | 141.9 | 137 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 717 | L | 29.2 | Very low | 30.1 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 138.6 | -166.5 | -72.5 | 151.5 | 0 | 0 | 0 | 113.3 | M719 | L717-M719 PolarHBondContact O-N 3.31Š|
| 718 | N | 25.6 | Very low | 30.1 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | trans | -31 | 111.8 | 150.4 | 171.2 | 92.9 | 0 | 0 | 0 | 112.8 | | |
| 719 | M | 31.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -131.5 | 96.5 | 163 | -78.2 | -66.6 | 146.6 | 0 | 0 | 108.4 | L717 | L717-M719 PolarHBondContact O-N 3.31Š|
| 720 | N | 26.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | | | trans | -71.1 | 134.9 | 157.6 | -62 | -13.5 | 0 | 0 | 0 | 107.1 | | |
| 721 | N | 32.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -153.4 | 113.7 | 146.1 | -99.8 | -12.5 | 0 | 0 | 0 | 106.4 | | |
| 722 | D | 29.9 | Very low | 30.7 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 130.3 | 170.2 | -54.1 | -83.6 | 0 | 0 | 0 | 108.8 | | |
| 723 | D | 33.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -145.8 | 102.3 | 154.3 | -120.6 | -29.7 | 0 | 0 | 0 | 108.4 | | |
| 724 | S | 32.4 | Very low | 30.8 | Very low | 93 Ų | 93 | 149.3 Ų | 149.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -103.6 | 105.3 | -169.6 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 725 | N | 34.1 | Very low | 31.2 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | | | trans | -103.9 | 113 | 159.5 | -77.4 | -40.3 | 0 | 0 | 0 | 108.7 | | |
| 726 | N | 33.6 | Very low | 31.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -94.4 | 118.9 | 175.6 | -71.9 | -76.3 | 0 | 0 | 0 | 109.4 | | |
| 727 | D | 32.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | | | trans | -107.2 | 146.6 | 150.6 | -89 | -55.4 | 0 | 0 | 0 | 109.8 | | |
| 728 | H | 32.1 | Very low | 32.8 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | trans | -76.4 | 136.1 | -166.6 | -81.2 | 35.9 | 0 | 0 | 0 | 113 | | |
| 729 | H | 33.5 | Very low | 33.1 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | | | trans | -153 | 103.9 | 135.6 | -97.9 | -54.1 | 0 | 0 | 0 | 112.7 | | |
| 730 | D | 32.8 | Very low | 33.4 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | | | trans | 37.9 | 96.7 | 143 | -50.8 | -59.9 | 0 | 0 | 0 | 119.9 | N732 | D730-N732 PolarHBondContact O-N 3.03Š|
| 731 | N | 30.2 | Very low | 34 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | | | trans | -79.3 | 110.8 | 165.9 | -78.5 | -65.9 | 0 | 0 | 0 | 111.8 | | |
| 732 | N | 31.1 | Very low | 34 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | | | trans | -101.2 | 112.9 | 160.1 | -98.3 | -33.6 | 0 | 0 | 0 | 110.3 | D730 L734 | D730-N732 PolarHBondContact O-N 3.03Å; N732-L734 PolarHBondContact O-N 2.83Å |
| 733 | N | 29.2 | Very low | 34.4 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | | | trans | -74.6 | 103.2 | -178.2 | -82.3 | -51.9 | 0 | 0 | 0 | 111.8 | | |
| 734 | L | 34.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 64% | 0.642 | S | S | . | * | | | trans | -89.2 | 140.5 | 150 | -79.6 | 80.7 | 0 | 0 | 0 | 108.9 | N732 N736 T780 | N732-L734 PolarHBondContact O-N 2.83Å; L734-N736 PolarHBondContact O-N 2.66Å; L734-N736 VanDerWaalsContact O-N 3.14Å; L734-N736 PolarHBondContact O-OD1 3.45Å; L734-T780 HydrophobicContact CD2-CG2 4.37Å |
| 735 | S | 36.1 | Very low | 35.5 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | | | trans | -74.1 | 104.6 | 177.9 | 165.7 | 0 | 0 | 0 | 0 | 110.1 | K737 | S735-K737 PolarHBondContact O-N 2.93Š|
| 736 | N | 41 | Very low | 36.2 | Very low | 66 Ų | 66 | 110.3 Ų | 110.3 | 35% | 0.353 | 60% | 0.604 | S | S | . | * | | | trans | -67 | 28.3 | 179.1 | -63.1 | -14.9 | 0 | 0 | 0 | 115 | L734 I744 V745 | L734-N736 PolarHBondContact O-N 2.66Å; L734-N736 VanDerWaalsContact O-N 3.14Å; L734-N736 PolarHBondContact O-OD1 3.45Å; N736-I744 CarbonylContact O-C 3.47Å; N736-I744 WeakPolarHBondContact O-CA 3.01Å; N736-V745 WeakPolarHBondContact CB-O 3.24Å; N736-V745 PolarHBondContact O-N 3.14Å |
| 737 | K | 43.3 | Very low | 36.7 | Very low | 118 Ų | 118 | 109.8 Ų | 109.8 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | B | Isolated β-bridge | trans | -104.4 | 120.9 | 174.4 | -74.4 | 174.3 | 178.6 | 173.1 | 0 | 109.4 | S735 P739 H743 I744 | S735-K737 PolarHBondContact O-N 2.93Å; K737-P739 WeakPolarHBondContact O-CD 3.38Å; K737-H743 WeakPolarHBondContact CA-O 3.31Å; K737-I744 HydrophobicContact CD-CG1 4.34Å; K737-I744 HydrophobicContact CG-CG1 3.67Å |
| 738 | C | 32.2 | Very low | 37.1 | Very low | 2 Ų | 2 | 107.5 Ų | 107.5 | 1% | 0.014 | 58% | 0.58 | C | S | . | * | | | trans | -60.2 | 123.9 | 172 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | S740 C741 G742 H743 L782 | C738-S740 PolarHBondContact O-N 3.17Å; C738-C741 VanDerWaalsContact CB-SG 3.54Å; C738-C741 PolarHBondContact O-N 3.4Å; C738-C741 VanDerWaalsContact SG-SG 3.62Å; C738-G742 WeakPolarHBondContact O-CA 3.22Å; C738-G742 PolarHBondContact O-N 3.21Å; C738-H743 PolarHBondContact N-O 2.91Å; C738-H743 VanDerWaalsContact N-O 3.13Å; C738-L782 HydrophobicContact CB-CD2 4.37Å |
| 739 | P | 32.9 | Very low | 37.7 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -32.7 | -179.1 | -27 | 35.8 | 0 | 0 | 0 | 114 | K737 | K737-P739 WeakPolarHBondContact O-CD 3.38Š|
| 740 | S | 36.3 | Very low | 37.9 | Very low | 76 Ų | 76 | 97 Ų | 97 | 53% | 0.531 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -18 | -174.1 | -51.2 | 0 | 0 | 0 | 0 | 114.8 | C738 S784 | C738-S740 PolarHBondContact O-N 3.17Å; S740-S784 WeakPolarHBondContact CB-OG 3.32Å; S740-S784 PolarHBondContact OG-OG 3.09Å; S740-S784 VanDerWaalsContact OG-OG 3.07Å |
| 741 | C | 40.1 | Very low | 38.2 | Very low | 75 Ų | 75 | 96.6 Ų | 96.6 | 51% | 0.507 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | -4.7 | -175.9 | 76 | 0 | 0 | 0 | 0 | 115.4 | C738 H743 | C738-C741 VanDerWaalsContact CB-SG 3.54Å; C738-C741 PolarHBondContact O-N 3.4Å; C738-C741 VanDerWaalsContact SG-SG 3.62Å; C741-H743 PolarHBondContact O-N 3.09Å; C741-H743 VanDerWaalsContact O-N 3.09Å |
| 742 | G | 32.3 | Very low | 38.6 | Very low | 49 Ų | 49 | 93.5 Ų | 93.5 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | | | trans | 69.1 | -1.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C738 I744 | C738-G742 WeakPolarHBondContact O-CA 3.22Å; C738-G742 PolarHBondContact O-N 3.21Å; G742-I744 PolarHBondContact O-N 2.78Å |
| 743 | H | 37.9 | Very low | 39 | Very low | 132 Ų | 132 | 90.3 Ų | 90.3 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 126.8 | -177.3 | -157.8 | -63.7 | 0 | 0 | 0 | 110.4 | K737 C738 C741 | K737-H743 WeakPolarHBondContact CA-O 3.31Å; C738-H743 PolarHBondContact N-O 2.91Å; C738-H743 VanDerWaalsContact N-O 3.13Å; C741-H743 PolarHBondContact O-N 3.09Å; C741-H743 VanDerWaalsContact O-N 3.09Å |
| 744 | I | 43.8 | Very low | 39.4 | Very low | 109 Ų | 109 | 88.8 Ų | 88.8 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | B | Isolated β-bridge | trans | -76.9 | 126.5 | 172 | -59.9 | 167.4 | 0 | 0 | 0 | 107.7 | N736 K737 G742 | N736-I744 CarbonylContact O-C 3.47Å; N736-I744 WeakPolarHBondContact O-CA 3.01Å; K737-I744 HydrophobicContact CD-CG1 4.34Å; K737-I744 HydrophobicContact CG-CG1 3.67Å; G742-I744 PolarHBondContact O-N 2.78Å |
| 745 | V | 47.1 | Very low | 39.4 | Very low | 37 Ų | 37 | 94.2 Ų | 94.2 | 22% | 0.224 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 123.6 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | N736 W747 C750 L782 | N736-V745 WeakPolarHBondContact CB-O 3.24Å; N736-V745 PolarHBondContact O-N 3.14Å; V745-W747 PolarHBondContact O-N 3.16Å; V745-C750 HydrophobicContact CG1-CB 4.13Å; V745-L782 HydrophobicContact CG2-CD2 4.25Å |
| 746 | D | 48.8 | Very low | 39.3 | Very low | 97 Ų | 97 | 96.1 Ų | 96.1 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | | | trans | -74 | 112.8 | 174 | -172.7 | -22.1 | 0 | 0 | 0 | 109.5 | N748 L749 C750 | D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 PolarHBondContact OD1-N 3.18Å; D746-N748 VanDerWaalsContact OD1-N 3.09Å; D746-L749 HydrophobicContact CB-CB 4.21Å; D746-L749 PolarHBondContact O-N 2.77Å; D746-C750 WeakPolarHBondContact O-CB 3.31Å; D746-C750 PolarHBondContact O-N 3.32Å |
| 747 | W | 43.9 | Very low | 39.1 | Very low | 127 Ų | 127 | 97.4 Ų | 97.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -33.1 | -175.3 | -172.8 | -118.4 | 0 | 0 | 0 | 112.8 | V745 C750 K751 | V745-W747 PolarHBondContact O-N 3.16Å; W747-C750 VanDerWaalsContact O-CB 3.31Å; W747-C750 WeakPolarHBondContact O-CB 3.32Å; W747-C750 PolarHBondContact O-N 2.99Å; W747-C750 VanDerWaalsContact O-N 3.16Å; W747-K751 PolarHBondContact O-N 3.37Å |
| 748 | N | 39.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 94.5 Ų | 94.5 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.7 | -36.9 | -178.6 | -66.6 | -29.8 | 0 | 0 | 0 | 111.8 | D746 C750 | D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 PolarHBondContact OD1-N 3.18Å; D746-N748 VanDerWaalsContact OD1-N 3.09Å; N748-C750 PolarHBondContact O-N 3.23Å |
| 749 | L | 44.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.8 | -19.1 | 168.7 | -165.4 | 68.3 | 0 | 0 | 0 | 112 | D746 T752 K753 | D746-L749 HydrophobicContact CB-CB 4.21Å; D746-L749 PolarHBondContact O-N 2.77Å; L749-T752 PolarHBondContact O-OG1 3.4Å; L749-K753 WeakPolarHBondContact O-CG 3.38Å |
| 750 | C | 39.6 | Very low | 38.7 | Very low | 16 Ų | 16 | 91.7 Ų | 91.7 | 11% | 0.108 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -79.8 | -42 | 178 | -151.5 | 0 | 0 | 0 | 0 | 112.3 | V745 D746 W747 N748 T752 K753 Q754 Y773 | V745-C750 HydrophobicContact CG1-CB 4.13Å; D746-C750 WeakPolarHBondContact O-CB 3.31Å; D746-C750 PolarHBondContact O-N 3.32Å; W747-C750 VanDerWaalsContact O-CB 3.31Å; W747-C750 WeakPolarHBondContact O-CB 3.32Å; W747-C750 PolarHBondContact O-N 2.99Å; W747-C750 VanDerWaalsContact O-N 3.16Å; N748-C750 PolarHBondContact O-N 3.23Å; C750-T752 VanDerWaalsContact C-N 3.35Å; C750-T752 PolarHBondContact O-N 3.21Å; C750-K753 PolarHBondContact O-N 3.4Å; C750-Q754 WeakPolarHBondContact O-CB 3.45Å; C750-Q754 PolarHBondContact O-N 2.69Å; C750-Y773 VanDerWaalsContact SG-CE2 3.53Å; C750-Y773 PolarHBondContact SG-OH 3.34Å |
| 751 | K | 38.8 | Very low | 38.8 | Very low | 124 Ų | 124 | 91.1 Ų | 91.1 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 178.5 | -79.5 | -174.1 | 173.3 | -176.7 | 0 | 114 | W747 | W747-K751 PolarHBondContact O-N 3.37Å |
| 752 | T | 37.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 91.8 Ų | 91.8 | 56% | 0.558 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.9 | -45.7 | 175.8 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | L749 C750 Q754 R755 | L749-T752 PolarHBondContact O-OG1 3.4Å; C750-T752 VanDerWaalsContact C-N 3.35Å; C750-T752 PolarHBondContact O-N 3.21Å; T752-Q754 VanDerWaalsContact C-N 3.3Å; T752-Q754 PolarHBondContact O-N 2.89Å; T752-R755 PolarHBondContact O-N 3.03Å |
| 753 | K | 40.8 | Very low | 39 | Very low | 85 Ų | 85 | 90 Ų | 90 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 174.3 | -74.6 | -178.6 | 176.9 | -177.9 | 0 | 113.6 | L749 C750 R755 E756 W757 | L749-K753 WeakPolarHBondContact O-CG 3.38Å; C750-K753 PolarHBondContact O-N 3.4Å; K753-R755 PolarHBondContact O-N 2.94Å; K753-E756 PolarHBondContact O-N 3.24Å; K753-W757 HydrophobicContact CD-CZ2 4.36Å; K753-W757 PolarHBondContact O-N 3.31Å |
| 754 | Q | 36.2 | Very low | 39 | Very low | 125 Ų | 125 | 85.9 Ų | 85.9 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.9 | -22.3 | 177.9 | -167.8 | 174.8 | 10.1 | 0 | 0 | 112.5 | C750 T752 I758 | C750-Q754 WeakPolarHBondContact O-CB 3.45Å; C750-Q754 PolarHBondContact O-N 2.69Å; T752-Q754 VanDerWaalsContact C-N 3.3Å; T752-Q754 PolarHBondContact O-N 2.89Å; Q754-I758 VanDerWaalsContact O-CD1 3.23Å; Q754-I758 WeakPolarHBondContact O-CD1 3.25Å; Q754-I758 VanDerWaalsContact O-CG1 3.31Å; Q754-I758 WeakPolarHBondContact O-CG1 3.43Å |
| 755 | R | 34.6 | Very low | 39 | Very low | 219 Ų | 219 | 83.7 Ų | 83.7 | 83% | 0.826 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -88.5 | -23.4 | 174.5 | -158.5 | 176.2 | -71.9 | -153.2 | -1.4 | 113.9 | T752 K753 | T752-R755 PolarHBondContact O-N 3.03Å; K753-R755 PolarHBondContact O-N 2.94Å |
| 756 | E | 34.6 | Very low | 38.6 | Very low | 136 Ų | 136 | 82.6 Ų | 82.6 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -88.7 | -31.8 | 178.2 | -68.5 | 178 | 148.7 | 0 | 0 | 112.9 | K753 I758 | K753-E756 PolarHBondContact O-N 3.24Å; E756-I758 PolarHBondContact O-N 2.65Å |
| 757 | W | 36.5 | Very low | 38.5 | Very low | 94 Ų | 94 | 80.5 Ų | 80.5 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7.4 | -171.1 | -69 | 46.4 | 0 | 0 | 0 | 113.3 | K753 | K753-W757 HydrophobicContact CD-CZ2 4.36Å; K753-W757 PolarHBondContact O-N 3.31Å |
| 758 | I | 35.5 | Very low | 39.1 | Very low | 56 Ų | 56 | 83.5 Ų | 83.5 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -30.5 | -179.3 | -74.7 | 169.7 | 0 | 0 | 0 | 112.2 | Q754 E756 G760 R1279 V1280 | Q754-I758 VanDerWaalsContact O-CD1 3.23Å; Q754-I758 WeakPolarHBondContact O-CD1 3.25Å; Q754-I758 VanDerWaalsContact O-CG1 3.31Å; Q754-I758 WeakPolarHBondContact O-CG1 3.43Å; E756-I758 PolarHBondContact O-N 2.65Å; I758-G760 PolarHBondContact O-N 2.85Å; I758-G760 VanDerWaalsContact O-N 3.08Å; I758-R1279 HydrophobicContact CG2-CB 3.45Å; I758-R1279 VanDerWaalsContact CG2-CB 3.45Å; I758-V1280 HydrophobicContact CB-CG2 4.44Å; I758-V1280 HydrophobicContact CG1-CG2 4.15Å; I758-V1280 HydrophobicContact CG2-CG2 4.21Å |
| 759 | S | 33 | Very low | 39.8 | Very low | 59 Ų | 59 | 81.8 Ų | 81.8 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -69 | 109.4 | 165.4 | 176 | 0 | 0 | 0 | 0 | 108.2 | V761 H762 D1283 | S759-V761 PolarHBondContact O-N 3.39Å; S759-H762 PolarHBondContact O-N 3.13Å; S759-D1283 PolarHBondContact OG-OD2 3.35Å |
| 760 | G | 32.5 | Very low | 40.4 | Very low | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I758 H762 A763 L764 D1283 | I758-G760 PolarHBondContact O-N 2.85Å; I758-G760 VanDerWaalsContact O-N 3.08Å; G760-H762 PolarHBondContact O-N 2.87Å; G760-H762 VanDerWaalsContact O-N 3.16Å; G760-A763 WeakPolarHBondContact O-CA 3.4Å; G760-A763 WeakPolarHBondContact O-CB 3.36Å; G760-A763 PolarHBondContact O-N 3.11Å; G760-L764 WeakPolarHBondContact O-CD2 3.34Å; G760-L764 VanDerWaalsContact O-CG 3.25Å; G760-L764 WeakPolarHBondContact O-CG 3.2Å; G760-L764 PolarHBondContact O-N 3.33Å; G760-D1283 PolarHBondContact N-OD2 3.16Å |
| 761 | V | 38.5 | Very low | 41.9 | Very low | 63 Ų | 63 | 80.6 Ų | 80.6 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -48.5 | -36.1 | 164.8 | -175.8 | 0 | 0 | 0 | 0 | 112 | S759 L764 D1283 | S759-V761 PolarHBondContact O-N 3.39Å; V761-L764 VanDerWaalsContact O-CB 3.32Å; V761-L764 WeakPolarHBondContact O-CB 3.48Å; V761-L764 WeakPolarHBondContact O-CG 3.36Å; V761-L764 PolarHBondContact O-N 3.11Å; V761-D1283 PolarHBondContact N-OD2 3.45Å |
| 762 | H | 38.6 | Very low | 43.4 | Very low | 90 Ų | 90 | 75.2 Ų | 75.2 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.7 | -27.6 | 176.5 | -102.1 | -83.2 | 0 | 0 | 0 | 114.1 | S759 G760 L764 S765 C766 | S759-H762 PolarHBondContact O-N 3.13Å; G760-H762 PolarHBondContact O-N 2.87Å; G760-H762 VanDerWaalsContact O-N 3.16Å; H762-L764 PolarHBondContact O-N 3.11Å; H762-S765 PolarHBondContact O-OG 3.46Å; H762-C766 PolarHBondContact O-SG 2.84Å |
| 763 | A | 36.9 | Very low | 45.1 | Very low | 10 Ų | 10 | 75.4 Ų | 75.4 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.7 | -15.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G760 V772 R786 L1284 | G760-A763 WeakPolarHBondContact O-CA 3.4Å; G760-A763 WeakPolarHBondContact O-CB 3.36Å; G760-A763 PolarHBondContact O-N 3.11Å; A763-V772 HydrophobicContact CB-CG1 4.08Å; A763-R786 WeakPolarHBondContact O-CD 3.4Å; A763-R786 VanDerWaalsContact O-CG 3.25Å; A763-R786 WeakPolarHBondContact O-CG 3.27Å; A763-L1284 HydrophobicContact CB-CD1 4.2Å |
| 764 | L | 39.2 | Very low | 46.9 | Very low | 46 Ų | 46 | 71.9 Ų | 71.9 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -88.7 | -34.5 | -175.5 | -42.1 | -173.6 | 0 | 0 | 0 | 112.7 | G760 V761 H762 C766 R786 A1287 | G760-L764 WeakPolarHBondContact O-CD2 3.34Å; G760-L764 VanDerWaalsContact O-CG 3.25Å; G760-L764 WeakPolarHBondContact O-CG 3.2Å; G760-L764 PolarHBondContact O-N 3.33Å; V761-L764 VanDerWaalsContact O-CB 3.32Å; V761-L764 WeakPolarHBondContact O-CB 3.48Å; V761-L764 WeakPolarHBondContact O-CG 3.36Å; V761-L764 PolarHBondContact O-N 3.11Å; H762-L764 PolarHBondContact O-N 3.11Å; L764-C766 VanDerWaalsContact C-N 3.29Å; L764-R786 PolarHBondContact O-NH1 3.34Å; L764-A1287 HydrophobicContact CD1-CB 3.3Å; L764-A1287 HydrophobicContact CD2-CB 3.23Å; L764-A1287 HydrophobicContact CG-CB 3.85Å |
| 765 | S | 42.4 | Very low | 48.5 | Very low | 64 Ų | 64 | 66.5 Ų | 66.5 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -79.4 | -12.6 | 176.3 | 53 | 0 | 0 | 0 | 0 | 112.8 | H762 S767 | H762-S765 PolarHBondContact O-OG 3.46Å; S765-S767 PolarHBondContact O-N 3.05Å |
| 766 | C | 38.8 | Very low | 50.2 | Low | 14 Ų | 14 | 57.4 Ų | 57.4 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | | | trans | -55.9 | 120 | 169 | -71.5 | 0 | 0 | 0 | 0 | 111.4 | H762 L764 D770 V772 | H762-C766 PolarHBondContact O-SG 2.84Å; L764-C766 VanDerWaalsContact C-N 3.29Å; C766-D770 HydrophobicContact CB-CB 4.02Å; C766-V772 HydrophobicContact CB-CG2 3.81Å |
| 767 | S | 47.2 | Very low | 51 | Low | 52 Ų | 52 | 55.5 Ų | 55.5 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | | | trans | -72.4 | 172.5 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | S765 T769 D770 | S765-S767 PolarHBondContact O-N 3.05Å; S767-T769 PolarHBondContact O-N 3.14Å; S767-T769 PolarHBondContact OG-N 2.56Å; S767-T769 PolarHBondContact OG-OG1 3.31Å; S767-T769 VanDerWaalsContact OG-OG1 3.13Å; S767-D770 WeakPolarHBondContact CA-OD2 3.3Å; S767-D770 WeakPolarHBondContact CB-OD2 3.41Å; S767-D770 PolarHBondContact N-OD2 3.33Å; S767-D770 PolarHBondContact O-N 3.03Å; S767-D770 PolarHBondContact OG-OD1 3.03Å; S767-D770 PolarHBondContact OG-OD2 3.04Å |
| 768 | K | 57.2 | Low | 52 | Low | 190 Ų | 190 | 59.2 Ų | 59.2 | 83% | 0.826 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 2.6 | 175.2 | -170.2 | 165.8 | 179.2 | 176.6 | 0 | 114.1 | | |
| 769 | T | 53.2 | Low | 53.9 | Low | 83 Ų | 83 | 57.7 Ų | 57.7 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -3.4 | 172.4 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | S767 | S767-T769 PolarHBondContact O-N 3.14Å; S767-T769 PolarHBondContact OG-N 2.56Å; S767-T769 PolarHBondContact OG-OG1 3.31Å; S767-T769 VanDerWaalsContact OG-OG1 3.13Å |
| 770 | D | 58.2 | Low | 55.9 | Low | 60 Ų | 60 | 59.9 Ų | 59.9 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -96 | 131 | -173.2 | -55.5 | -36.5 | 0 | 0 | 0 | 110.2 | C766 S767 G785 | C766-D770 HydrophobicContact CB-CB 4.02Å; S767-D770 WeakPolarHBondContact CA-OD2 3.3Å; S767-D770 WeakPolarHBondContact CB-OD2 3.41Å; S767-D770 PolarHBondContact N-OD2 3.33Å; S767-D770 PolarHBondContact O-N 3.03Å; S767-D770 PolarHBondContact OG-OD1 3.03Å; S767-D770 PolarHBondContact OG-OD2 3.04Å; D770-G785 WeakPolarHBondContact O-CA 3.46Å; D770-G785 PolarHBondContact O-N 3.4Å |
| 771 | C | 70 | Confident | 57.9 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | | | trans | -82.8 | 130.1 | -174.4 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | L782 C783 | C771-L782 HydrophobicContact CB-CD1 3.79Å; C771-L782 HydrophobicContact CB-CD2 3.92Å; C771-L782 HydrophobicContact CB-CG 3.8Å; C771-C783 CarbonylContact C-O 3.58Å; C771-C783 WeakPolarHBondContact CA-O 3.4Å |
| 772 | V | 70.2 | Confident | 59.8 | Low | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.3 | -175.9 | -169 | 0 | 0 | 0 | 0 | 109 | A763 C766 C783 L789 | A763-V772 HydrophobicContact CB-CG1 4.08Å; C766-V772 HydrophobicContact CB-CG2 3.81Å; V772-C783 PolarHBondContact N-O 3.49Å; V772-C783 VanDerWaalsContact O-CB 3.32Å; V772-C783 WeakPolarHBondContact O-CB 3.42Å; V772-C783 PolarHBondContact O-N 3.29Å; V772-L789 HydrophobicContact CB-CD2 4.43Å; V772-L789 HydrophobicContact CG1-CD2 3.8Å |
| 773 | Y | 73.4 | Confident | 61.9 | Low | 95 Ų | 95 | 58.7 Ų | 58.7 | 37% | 0.373 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 151 | 176.1 | -72.2 | -86.1 | 0 | 0 | 0 | 111.4 | C750 L782 | C750-Y773 VanDerWaalsContact SG-CE2 3.53Å; C750-Y773 PolarHBondContact SG-OH 3.34Å; Y773-L782 HydrophobicContact CD1-CD1 3.9Å; Y773-L782 HydrophobicContact CD2-CD1 3.85Å; Y773-L782 HydrophobicContact CE1-CD1 3.84Å; Y773-L782 HydrophobicContact CE2-CD1 3.79Å; Y773-L782 HydrophobicContact CG-CD1 3.9Å |
| 774 | C | 78.9 | Confident | 63.8 | Low | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | | | trans | -60.3 | 135.1 | 164.4 | -171 | 0 | 0 | 0 | 0 | 109.6 | V776 C779 Y781 H792 H797 | C774-V776 PolarHBondContact O-N 3.19Å; C774-C779 HydrophobicContact CB-CB 3.85Å; C774-C779 WeakPolarHBondContact CB-SG 3.45Å; C774-C779 VanDerWaalsContact SG-SG 3.66Å; C774-Y781 PolarHBondContact N-O 3.02Å; C774-H792 PolarHBondContact SG-CD2 2.83Å; C774-H797 PolarHBondContact SG-NE2 3.16Å; C774-H797 VanDerWaalsContact SG-NE2 3.38Å |
| 775 | P | 69.2 | Low | 65.5 | Low | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -77.9 | 0.2 | 178.6 | 36.6 | -43.5 | 0 | 0 | 0 | 113.8 | L793 P1277 V1280 I1281 L1284 | P775-L793 HydrophobicContact CG-CD2 4.15Å; P775-P1277 WeakPolarHBondContact O-CB 3.34Å; P775-V1280 HydrophobicContact CB-CB 3.69Å; P775-V1280 HydrophobicContact CB-CG1 3.65Å; P775-I1281 HydrophobicContact CB-CG1 3.76Å; P775-I1281 HydrophobicContact CG-CG1 3.95Å; P775-L1284 HydrophobicContact CB-CD2 4.37Å; P775-L1284 HydrophobicContact CG-CD2 3.68Å |
| 776 | V | 70.3 | Confident | 66.8 | Low | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -95.3 | 126.9 | -173.9 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | C774 C779 L793 H797 P1277 | C774-V776 PolarHBondContact O-N 3.19Å; V776-C779 HydrophobicContact CB-CB 4.27Å; V776-C779 WeakPolarHBondContact O-CB 3.39Å; V776-C779 PolarHBondContact O-N 3.05Å; V776-L793 HydrophobicContact CG2-CD2 3.84Å; V776-H797 HydrophobicContact CG2-CB 4.39Å; V776-P1277 HydrophobicContact CB-CG 4.37Å; V776-P1277 HydrophobicContact CG1-CG 3.93Å |
| 777 | D | 51.8 | Low | 68.3 | Low | 96 Ų | 96 | 60.2 Ų | 60.2 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 151.4 | 174.8 | -66.7 | -28.9 | 0 | 0 | 0 | 111.5 | C779 P1277 | D777-C779 PolarHBondContact O-N 3.07Å; D777-P1277 HydrophobicContact CB-CB 4.19Å; D777-P1277 HydrophobicContact CB-CG 3.83Å; D777-P1277 VanDerWaalsContact OD2-CA 3.27Å; D777-P1277 WeakPolarHBondContact OD2-CA 3.22Å |
| 778 | N | 56.3 | Low | 69.6 | Low | 171 Ų | 171 | 60.4 Ų | 60.4 | 91% | 0.914 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -7.3 | -169.7 | -52.1 | -37.2 | 0 | 0 | 0 | 115.1 | T780 | N778-T780 PolarHBondContact O-N 3.18Š|
| 779 | C | 75.4 | Confident | 70.6 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | | | trans | -90.6 | 99 | 175.8 | -167.4 | 0 | 0 | 0 | 0 | 112.9 | C774 V776 D777 Y781 H792 H797 | C774-C779 HydrophobicContact CB-CB 3.85Å; C774-C779 WeakPolarHBondContact CB-SG 3.45Å; C774-C779 VanDerWaalsContact SG-SG 3.66Å; V776-C779 HydrophobicContact CB-CB 4.27Å; V776-C779 WeakPolarHBondContact O-CB 3.39Å; V776-C779 PolarHBondContact O-N 3.05Å; D777-C779 PolarHBondContact O-N 3.07Å; C779-Y781 PolarHBondContact O-N 3.25Å; C779-Y781 VanDerWaalsContact O-N 3.15Å; C779-H792 VanDerWaalsContact SG-CE1 3.52Å; C779-H792 PolarHBondContact SG-NE2 2.79Å; C779-H797 WeakPolarHBondContact CB-NE2 3.39Å; C779-H797 PolarHBondContact SG-NE2 2.88Å |
| 780 | T | 75.3 | Confident | 71.5 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | | | trans | -79.5 | 15.3 | 177.6 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | L734 N778 | L734-T780 HydrophobicContact CD2-CG2 4.37Å; N778-T780 PolarHBondContact O-N 3.18Å |
| 781 | Y | 74.3 | Confident | 72.2 | Confident | 102 Ų | 102 | 48.5 Ų | 48.5 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | | | trans | -82.1 | 135.1 | -171.9 | -165 | -100.1 | 0 | 0 | 0 | 112.9 | C774 C779 C783 H792 | C774-Y781 PolarHBondContact N-O 3.02Å; C779-Y781 PolarHBondContact O-N 3.25Å; C779-Y781 VanDerWaalsContact O-N 3.15Å; Y781-C783 VanDerWaalsContact CD1-SG 3.59Å; Y781-H792 HydrophobicContact CD1-CB 4.12Å; Y781-H792 AromaticContact CD1-CE1 3.84Å; Y781-H792 AromaticContact CD1-CG 3.63Å; Y781-H792 AromaticContact CD1-ND1 3.16Å; Y781-H792 WeakPolarHBondContact CD1-ND1 3.4Å; Y781-H792 HydrophobicContact CE1-CB 4.3Å; Y781-H792 AromaticContact CE1-ND1 3.76Å; Y781-H792 AromaticContact CG-CE1 3.71Å; Y781-H792 AromaticContact CG-ND1 3.47Å |
| 782 | L | 79.8 | Confident | 72.7 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 105.8 | -175.5 | -174.2 | 68.8 | 0 | 0 | 0 | 110.4 | C738 V745 C771 Y773 | C738-L782 HydrophobicContact CB-CD2 4.37Å; V745-L782 HydrophobicContact CG2-CD2 4.25Å; C771-L782 HydrophobicContact CB-CD1 3.79Å; C771-L782 HydrophobicContact CB-CD2 3.92Å; C771-L782 HydrophobicContact CB-CG 3.8Å; Y773-L782 HydrophobicContact CD1-CD1 3.9Å; Y773-L782 HydrophobicContact CD2-CD1 3.85Å; Y773-L782 HydrophobicContact CE1-CD1 3.84Å; Y773-L782 HydrophobicContact CE2-CD1 3.79Å; Y773-L782 HydrophobicContact CG-CD1 3.9Å |
| 783 | C | 82.6 | Confident | 73 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.4 | -172.9 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | C771 V772 Y781 G785 D788 L789 | C771-C783 CarbonylContact C-O 3.58Å; C771-C783 WeakPolarHBondContact CA-O 3.4Å; V772-C783 PolarHBondContact N-O 3.49Å; V772-C783 VanDerWaalsContact O-CB 3.32Å; V772-C783 WeakPolarHBondContact O-CB 3.42Å; V772-C783 PolarHBondContact O-N 3.29Å; Y781-C783 VanDerWaalsContact CD1-SG 3.59Å; C783-G785 PolarHBondContact O-N 2.97Å; C783-D788 HydrophobicContact CB-CB 3.7Å; C783-L789 HydrophobicContact CB-CB 3.85Å; C783-L789 VanDerWaalsContact SG-CA 3.56Å |
| 784 | S | 76.5 | Confident | 73 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.2 | 54.9 | 177.6 | -26.4 | 0 | 0 | 0 | 0 | 112.3 | S740 D788 | S740-S784 WeakPolarHBondContact CB-OG 3.32Å; S740-S784 PolarHBondContact OG-OG 3.09Å; S740-S784 VanDerWaalsContact OG-OG 3.07Å; S784-D788 WeakPolarHBondContact CA-OD2 3.15Å; S784-D788 WeakPolarHBondContact CB-OD2 3.32Å; S784-D788 VanDerWaalsContact N-CB 3.34Å; S784-D788 PolarHBondContact N-OD2 3.21Å; S784-D788 PolarHBondContact OG-OD2 2.89Å |
| 785 | G | 75.7 | Confident | 72.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 93.3 | -175.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D770 C783 A787 D788 L789 | D770-G785 WeakPolarHBondContact O-CA 3.46Å; D770-G785 PolarHBondContact O-N 3.4Å; C783-G785 PolarHBondContact O-N 2.97Å; G785-A787 VanDerWaalsContact C-N 3.27Å; G785-A787 PolarHBondContact O-N 3Å; G785-A787 VanDerWaalsContact O-N 3.09Å; G785-D788 PolarHBondContact O-N 3.42Å; G785-L789 PolarHBondContact O-N 3.47Å; G785-L789 VanDerWaalsContact O-N 3.14Å |
| 786 | R | 69 | Low | 73.1 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -28.3 | -164.7 | -63.5 | 169.4 | 73.2 | 174.1 | -2.6 | 115.6 | A763 L764 S790 A1287 L1288 | A763-R786 WeakPolarHBondContact O-CD 3.4Å; A763-R786 VanDerWaalsContact O-CG 3.25Å; A763-R786 WeakPolarHBondContact O-CG 3.27Å; L764-R786 PolarHBondContact O-NH1 3.34Å; R786-S790 PolarHBondContact O-N 2.87Å; R786-S790 VanDerWaalsContact O-N 3.09Å; R786-S790 PolarHBondContact O-OG 3.33Å; R786-A1287 PolarHBondContact NH2-O 3.04Å; R786-L1288 HydrophobicContact CB-CD2 4.44Å |
| 787 | A | 69.1 | Low | 73.4 | Confident | 66 Ų | 66 | 54 Ų | 54 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -80.2 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G785 L789 S790 A791 | G785-A787 VanDerWaalsContact C-N 3.27Å; G785-A787 PolarHBondContact O-N 3Å; G785-A787 VanDerWaalsContact O-N 3.09Å; A787-L789 PolarHBondContact O-N 3.49Å; A787-S790 PolarHBondContact O-OG 3Å; A787-A791 VanDerWaalsContact O-CB 3.32Å; A787-A791 WeakPolarHBondContact O-CB 3.38Å; A787-A791 PolarHBondContact O-N 3.19Å |
| 788 | D | 75.4 | Confident | 74.3 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 170.7 | -72.8 | 27.3 | 0 | 0 | 0 | 110 | C783 S784 G785 H792 | C783-D788 HydrophobicContact CB-CB 3.7Å; S784-D788 WeakPolarHBondContact CA-OD2 3.15Å; S784-D788 WeakPolarHBondContact CB-OD2 3.32Å; S784-D788 VanDerWaalsContact N-CB 3.34Å; S784-D788 PolarHBondContact N-OD2 3.21Å; S784-D788 PolarHBondContact OG-OD2 2.89Å; G785-D788 PolarHBondContact O-N 3.42Å; D788-H792 VanDerWaalsContact O-CB 3.22Å; D788-H792 WeakPolarHBondContact O-CB 3.4Å; D788-H792 PolarHBondContact O-N 3.36Å |
| 789 | L | 78.4 | Confident | 74.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -43 | 179.3 | -178.5 | 56.8 | 0 | 0 | 0 | 113.2 | V772 C783 G785 A787 H792 L793 L1284 | V772-L789 HydrophobicContact CB-CD2 4.43Å; V772-L789 HydrophobicContact CG1-CD2 3.8Å; C783-L789 HydrophobicContact CB-CB 3.85Å; C783-L789 VanDerWaalsContact SG-CA 3.56Å; G785-L789 PolarHBondContact O-N 3.47Å; G785-L789 VanDerWaalsContact O-N 3.14Å; A787-L789 PolarHBondContact O-N 3.49Å; L789-H792 PolarHBondContact O-N 3.07Å; L789-L793 HydrophobicContact CD1-CD1 4.13Å; L789-L793 HydrophobicContact CD1-CG 4.2Å; L789-L793 HydrophobicContact CG-CD1 4.18Å; L789-L793 WeakPolarHBondContact O-CB 3.48Å; L789-L793 VanDerWaalsContact O-CG 3.31Å; L789-L793 WeakPolarHBondContact O-CG 3.32Å; L789-L793 PolarHBondContact O-N 2.8Å; L789-L1284 HydrophobicContact CD2-CD1 3.85Å; L789-L1284 HydrophobicContact CD2-CD2 3.91Å; L789-L1284 HydrophobicContact CG-CD2 4.39Å |
| 790 | S | 71.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.3 | 59.8 | 0 | 0 | 0 | 0 | 112 | R786 A787 T794 | R786-S790 PolarHBondContact O-N 2.87Å; R786-S790 VanDerWaalsContact O-N 3.09Å; R786-S790 PolarHBondContact O-OG 3.33Å; A787-S790 PolarHBondContact O-OG 3Å; S790-T794 WeakPolarHBondContact O-CB 3.37Å; S790-T794 WeakPolarHBondContact O-CG2 3.25Å; S790-T794 PolarHBondContact O-N 2.89Å; S790-T794 PolarHBondContact O-OG1 3.03Å |
| 791 | A | 72.7 | Confident | 72.6 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A787 T794 S795 | A787-A791 VanDerWaalsContact O-CB 3.32Å; A787-A791 WeakPolarHBondContact O-CB 3.38Å; A787-A791 PolarHBondContact O-N 3.19Å; A791-T794 PolarHBondContact O-N 3.15Å; A791-T794 PolarHBondContact O-OG1 3.08Å; A791-S795 VanDerWaalsContact O-CB 3.31Å; A791-S795 WeakPolarHBondContact O-CB 3.4Å; A791-S795 PolarHBondContact O-N 2.83Å; A791-S795 PolarHBondContact O-OG 3.09Å |
| 792 | H | 80.1 | Confident | 71.4 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 176.3 | 177.4 | 81.2 | 0 | 0 | 0 | 111.7 | C774 C779 Y781 D788 L789 T794 S795 I796 H797 | C774-H792 PolarHBondContact SG-CD2 2.83Å; C779-H792 VanDerWaalsContact SG-CE1 3.52Å; C779-H792 PolarHBondContact SG-NE2 2.79Å; Y781-H792 HydrophobicContact CD1-CB 4.12Å; Y781-H792 AromaticContact CD1-CE1 3.84Å; Y781-H792 AromaticContact CD1-CG 3.63Å; Y781-H792 AromaticContact CD1-ND1 3.16Å; Y781-H792 WeakPolarHBondContact CD1-ND1 3.4Å; Y781-H792 HydrophobicContact CE1-CB 4.3Å; Y781-H792 AromaticContact CE1-ND1 3.76Å; Y781-H792 AromaticContact CG-CE1 3.71Å; Y781-H792 AromaticContact CG-ND1 3.47Å; D788-H792 VanDerWaalsContact O-CB 3.22Å; D788-H792 WeakPolarHBondContact O-CB 3.4Å; D788-H792 PolarHBondContact O-N 3.36Å; L789-H792 PolarHBondContact O-N 3.07Å; H792-T794 VanDerWaalsContact C-N 3.34Å; H792-T794 PolarHBondContact O-N 3.21Å; H792-S795 PolarHBondContact O-N 3.04Å; H792-S795 PolarHBondContact O-OG 3.45Å; H792-I796 VanDerWaalsContact CE1-CG1 3.47Å; H792-I796 WeakPolarHBondContact CE1-CG1 3.41Å; H792-I796 WeakPolarHBondContact O-CB 3.39Å; H792-I796 PolarHBondContact O-N 3.25Å; H792-H797 AromaticContact CD2-CD2 3.73Å; H792-H797 AromaticContact CD2-NE2 3.83Å; H792-H797 AromaticContact NE2-CD2 3.33Å; H792-H797 PolarHBondContact NE2-CD2 3.27Å; H792-H797 VanDerWaalsContact NE2-CD2 3.33Å; H792-H797 AromaticContact NE2-NE2 3Å; H792-H797 PolarHBondContact NE2-NE2 2.95Å |
| 793 | L | 77.6 | Confident | 69.7 | Low | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -58.4 | -45.3 | 177.7 | -73.5 | 168.3 | 0 | 0 | 0 | 111.5 | P775 V776 L789 S795 H797 F798 L1284 L1288 | P775-L793 HydrophobicContact CG-CD2 4.15Å; V776-L793 HydrophobicContact CG2-CD2 3.84Å; L789-L793 HydrophobicContact CD1-CD1 4.13Å; L789-L793 HydrophobicContact CD1-CG 4.2Å; L789-L793 HydrophobicContact CG-CD1 4.18Å; L789-L793 WeakPolarHBondContact O-CB 3.48Å; L789-L793 VanDerWaalsContact O-CG 3.31Å; L789-L793 WeakPolarHBondContact O-CG 3.32Å; L789-L793 PolarHBondContact O-N 2.8Å; L793-S795 VanDerWaalsContact C-N 3.31Å; L793-S795 PolarHBondContact O-N 3.34Å; L793-H797 PolarHBondContact O-N 3.27Å; L793-F798 HydrophobicContact CB-CD2 4.25Å; L793-F798 HydrophobicContact CD2-CE2 4.29Å; L793-F798 WeakPolarHBondContact O-CD2 3.46Å; L793-F798 PolarHBondContact O-N 2.75Å; L793-L1284 HydrophobicContact CD1-CD2 3.86Å; L793-L1288 HydrophobicContact CD1-CD1 3.93Å |
| 794 | T | 72.6 | Confident | 67.6 | Low | 64 Ų | 64 | 65.7 Ų | 65.7 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -77.6 | -7 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 115.3 | S790 A791 H792 Q802 | S790-T794 WeakPolarHBondContact O-CB 3.37Å; S790-T794 WeakPolarHBondContact O-CG2 3.25Å; S790-T794 PolarHBondContact O-N 2.89Å; S790-T794 PolarHBondContact O-OG1 3.03Å; A791-T794 PolarHBondContact O-N 3.15Å; A791-T794 PolarHBondContact O-OG1 3.08Å; H792-T794 VanDerWaalsContact C-N 3.34Å; H792-T794 PolarHBondContact O-N 3.21Å; T794-Q802 VanDerWaalsContact O-CG 3.31Å; T794-Q802 WeakPolarHBondContact O-CG 3.41Å; T794-Q802 PolarHBondContact O-NE2 3.09Å |
| 795 | S | 74.7 | Confident | 65.7 | Low | 55 Ų | 55 | 72 Ų | 72 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -109.6 | -30.1 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | A791 H792 L793 | A791-S795 VanDerWaalsContact O-CB 3.31Å; A791-S795 WeakPolarHBondContact O-CB 3.4Å; A791-S795 PolarHBondContact O-N 2.83Å; A791-S795 PolarHBondContact O-OG 3.09Å; H792-S795 PolarHBondContact O-N 3.04Å; H792-S795 PolarHBondContact O-OG 3.45Å; L793-S795 VanDerWaalsContact C-N 3.31Å; L793-S795 PolarHBondContact O-N 3.34Å |
| 796 | I | 75.6 | Confident | 64 | Low | 104 Ų | 104 | 74.9 Ų | 74.9 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -109.4 | -40.5 | -174.6 | -56.2 | -56 | 0 | 0 | 0 | 112.8 | H792 | H792-I796 VanDerWaalsContact CE1-CG1 3.47Å; H792-I796 WeakPolarHBondContact CE1-CG1 3.41Å; H792-I796 WeakPolarHBondContact O-CB 3.39Å; H792-I796 PolarHBondContact O-N 3.25Å |
| 797 | H | 76.4 | Confident | 62.6 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 25% | 0.25 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -102.7 | -26.6 | -174.8 | -60.9 | -63.7 | 0 | 0 | 0 | 113.5 | C774 V776 C779 H792 L793 | C774-H797 PolarHBondContact SG-NE2 3.16Å; C774-H797 VanDerWaalsContact SG-NE2 3.38Å; V776-H797 HydrophobicContact CG2-CB 4.39Å; C779-H797 WeakPolarHBondContact CB-NE2 3.39Å; C779-H797 PolarHBondContact SG-NE2 2.88Å; H792-H797 AromaticContact CD2-CD2 3.73Å; H792-H797 AromaticContact CD2-NE2 3.83Å; H792-H797 AromaticContact NE2-CD2 3.33Å; H792-H797 PolarHBondContact NE2-CD2 3.27Å; H792-H797 VanDerWaalsContact NE2-CD2 3.33Å; H792-H797 AromaticContact NE2-NE2 3Å; H792-H797 PolarHBondContact NE2-NE2 2.95Å; L793-H797 PolarHBondContact O-N 3.27Å |
| 798 | F | 71.3 | Confident | 61.4 | Low | 77 Ų | 77 | 79.2 Ų | 79.2 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | | | trans | -130.2 | 48.1 | 178.9 | -55.2 | -62.8 | 0 | 0 | 0 | 112.4 | L793 E800 I801 I809 | L793-F798 HydrophobicContact CB-CD2 4.25Å; L793-F798 HydrophobicContact CD2-CE2 4.29Å; L793-F798 WeakPolarHBondContact O-CD2 3.46Å; L793-F798 PolarHBondContact O-N 2.75Å; F798-E800 PolarHBondContact O-N 3.17Å; F798-I801 HydrophobicContact CB-CB 4.21Å; F798-I801 HydrophobicContact CB-CD1 3.83Å; F798-I801 HydrophobicContact CB-CG1 3.95Å; F798-I801 HydrophobicContact CD1-CD1 3.98Å; F798-I801 HydrophobicContact CG-CD1 4.11Å; F798-I801 PolarHBondContact O-N 2.79Å; F798-I809 HydrophobicContact CZ-CD1 4.46Å |
| 799 | P | 58.6 | Low | 60.3 | Low | 71 Ų | 71 | 79 Ų | 79 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -59.6 | -34.1 | -175.1 | 25.5 | -34.8 | 0 | 0 | 0 | 113.1 | I801 Q802 | P799-I801 PolarHBondContact O-N 3.31Å; P799-Q802 VanDerWaalsContact O-CG 3.28Å; P799-Q802 WeakPolarHBondContact O-CG 3.37Å; P799-Q802 PolarHBondContact O-N 3.44Å |
| 800 | E | 58.4 | Low | 59.1 | Low | 178 Ų | 178 | 80.5 Ų | 80.5 | 83% | 0.832 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -66 | -22.5 | 178.2 | -166.7 | 170.5 | -160.9 | 0 | 0 | 113.2 | F798 Q802 | F798-E800 PolarHBondContact O-N 3.17Å; E800-Q802 VanDerWaalsContact C-N 3.26Å; E800-Q802 PolarHBondContact O-N 3.02Å |
| 801 | I | 55 | Low | 59.1 | Low | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -81.4 | -3.9 | -176.5 | -50.5 | -169 | 0 | 0 | 0 | 112 | F798 P799 H803 Q804 | F798-I801 HydrophobicContact CB-CB 4.21Å; F798-I801 HydrophobicContact CB-CD1 3.83Å; F798-I801 HydrophobicContact CB-CG1 3.95Å; F798-I801 HydrophobicContact CD1-CD1 3.98Å; F798-I801 HydrophobicContact CG-CD1 4.11Å; F798-I801 PolarHBondContact O-N 2.79Å; P799-I801 PolarHBondContact O-N 3.31Å; I801-H803 PolarHBondContact O-N 3.39Å; I801-Q804 PolarHBondContact O-N 3.19Å |
| 802 | Q | 48.3 | Very low | 59.2 | Low | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -59.1 | -15 | -179.6 | -71.7 | 179.2 | 26.4 | 0 | 0 | 115 | T794 P799 E800 | T794-Q802 VanDerWaalsContact O-CG 3.31Å; T794-Q802 WeakPolarHBondContact O-CG 3.41Å; T794-Q802 PolarHBondContact O-NE2 3.09Å; P799-Q802 VanDerWaalsContact O-CG 3.28Å; P799-Q802 WeakPolarHBondContact O-CG 3.37Å; P799-Q802 PolarHBondContact O-N 3.44Å; E800-Q802 VanDerWaalsContact C-N 3.26Å; E800-Q802 PolarHBondContact O-N 3.02Å |
| 803 | H | 45 | Very low | 58.7 | Low | 157 Ų | 157 | 81.7 Ų | 81.7 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -120.8 | -0.2 | -176.6 | -60.6 | -33.5 | 0 | 0 | 0 | 115.6 | I801 | I801-H803 PolarHBondContact O-N 3.39Š|
| 804 | Q | 37.5 | Very low | 58.3 | Low | 116 Ų | 116 | 82.8 Ų | 82.8 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -111 | 151.2 | 175.9 | -75.5 | -170.2 | -9.4 | 0 | 0 | 113 | I801 V806 | I801-Q804 PolarHBondContact O-N 3.19Å; Q804-V806 PolarHBondContact O-N 3.31Å |
| 805 | L | 36.9 | Very low | 57.5 | Low | 154 Ų | 154 | 86.2 Ų | 86.2 | 81% | 0.806 | 44% | 0.435 | S | S | * | . | | | trans | -71.6 | 108.1 | 173.4 | -78.9 | 154.4 | 0 | 0 | 0 | 109.5 | R807 | L805-R807 PolarHBondContact O-N 2.97Š|
| 806 | V | 39.2 | Very low | 56.7 | Low | 62 Ų | 62 | 90.1 Ų | 90.1 | 38% | 0.376 | 45% | 0.451 | S | S | . | . | | | trans | 40.8 | 72 | 146.6 | -164.9 | 0 | 0 | 0 | 0 | 114 | Q804 L808 I1289 V1293 | Q804-V806 PolarHBondContact O-N 3.31Å; V806-L808 PolarHBondContact O-N 3.35Å; V806-I1289 HydrophobicContact CG1-CG1 4.49Å; V806-I1289 HydrophobicContact CG1-CG2 3.87Å; V806-V1293 HydrophobicContact CB-CG2 4.47Å; V806-V1293 HydrophobicContact CG1-CG2 3.8Å; V806-V1293 HydrophobicContact CG2-CG2 3.94Å |
| 807 | R | 40.6 | Very low | 56.4 | Low | 135 Ų | 135 | 85.6 Ų | 85.6 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | | | trans | -63.5 | 130.7 | 164.3 | -70.1 | -166.2 | -177.4 | -155.6 | 3.6 | 109.1 | L805 I809 | L805-R807 PolarHBondContact O-N 2.97Å; R807-I809 PolarHBondContact O-N 3.36Å |
| 808 | L | 44.7 | Very low | 55.6 | Low | 100 Ų | 100 | 85.2 Ų | 85.2 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | | | trans | -63.2 | 121.2 | 164.2 | -72.1 | 164.2 | 0 | 0 | 0 | 107.3 | V806 F810 | V806-L808 PolarHBondContact O-N 3.35Å; L808-F810 HydrophobicContact CB-CD2 4.11Å; L808-F810 HydrophobicContact CB-CE1 4.43Å; L808-F810 HydrophobicContact CB-CE2 3.64Å; L808-F810 HydrophobicContact CB-CZ 3.82Å; L808-F810 HydrophobicContact CD1-CE1 4.49Å; L808-F810 HydrophobicContact CD1-CZ 4.02Å; L808-F810 WeakPolarHBondContact O-CD2 3.42Å; L808-F810 WeakPolarHBondContact O-CE2 3.33Å |
| 809 | I | 50.7 | Low | 55 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | | | trans | -88 | 109.5 | 169.1 | -64.1 | 173.1 | 0 | 0 | 0 | 105.6 | F798 R807 A811 I820 T1285 | F798-I809 HydrophobicContact CZ-CD1 4.46Å; R807-I809 PolarHBondContact O-N 3.36Å; I809-A811 PolarHBondContact O-N 3.24Å; I809-I820 HydrophobicContact CG2-CG2 3.27Å; I809-T1285 HydrophobicContact CB-CG2 3.73Å; I809-T1285 HydrophobicContact CG2-CG2 4.4Å |
| 810 | F | 54.1 | Low | 55.4 | Low | 35 Ų | 35 | 83.6 Ų | 83.6 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 110.9 | -173.2 | -67 | -97.3 | 0 | 0 | 0 | 109.7 | L808 C821 E824 F827 | L808-F810 HydrophobicContact CB-CD2 4.11Å; L808-F810 HydrophobicContact CB-CE1 4.43Å; L808-F810 HydrophobicContact CB-CE2 3.64Å; L808-F810 HydrophobicContact CB-CZ 3.82Å; L808-F810 HydrophobicContact CD1-CE1 4.49Å; L808-F810 HydrophobicContact CD1-CZ 4.02Å; L808-F810 WeakPolarHBondContact O-CD2 3.42Å; L808-F810 WeakPolarHBondContact O-CE2 3.33Å; F810-C821 HydrophobicContact CB-CB 4.2Å; F810-C821 PolarHBondContact N-O 2.92Å; F810-C821 PolarHBondContact O-N 3.16Å; F810-E824 HydrophobicContact CE1-CB 4.18Å; F810-E824 HydrophobicContact CE1-CG 4.07Å; F810-E824 HydrophobicContact CE2-CB 3.98Å; F810-E824 HydrophobicContact CZ-CB 3.63Å; F810-E824 HydrophobicContact CZ-CG 3.94Å; F810-F827 HydrophobicContact CB-CB 3.54Å; F810-F827 HydrophobicContact CB-CD2 3.59Å; F810-F827 HydrophobicContact CB-CG 3.75Å; F810-F827 HydrophobicContact CD1-CB 4.14Å; F810-F827 HydrophobicContact CD1-CD1 4.47Å; F810-F827 HydrophobicContact CD1-CD2 4.48Å; F810-F827 HydrophobicContact CD1-CG 4.1Å; F810-F827 HydrophobicContact CG-CB 3.93Å; F810-F827 HydrophobicContact CG-CD2 4.48Å; F810-F827 HydrophobicContact CG-CG 4.24Å |
| 811 | A | 70.7 | Confident | 56.2 | Low | 31 Ų | 31 | 75.5 Ų | 75.5 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I809 | I809-A811 PolarHBondContact O-N 3.24Å |
| 812 | C | 76 | Confident | 56.8 | Low | 13 Ų | 13 | 76.4 Ų | 76.4 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | | | trans | -62 | 129.6 | 175.9 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | L814 C817 I819 H830 | C812-L814 PolarHBondContact O-N 3.46Å; C812-C817 HydrophobicContact CB-CB 4.14Å; C812-C817 VanDerWaalsContact CB-SG 3.51Å; C812-C817 VanDerWaalsContact SG-SG 3.69Å; C812-I819 PolarHBondContact N-O 2.77Å; C812-H830 VanDerWaalsContact CB-NE2 3.31Å; C812-H830 WeakPolarHBondContact CB-NE2 3.49Å; C812-H830 PolarHBondContact SG-NE2 3.22Å; C812-H830 VanDerWaalsContact SG-NE2 3.37Å |
| 813 | P | 67.6 | Low | 57.6 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | | | trans | -72.6 | -11.4 | -177.2 | 29.4 | -35.9 | 0 | 0 | 0 | 113.6 | F831 | P813-F831 HydrophobicContact CG-CD2 4.24Å; P813-F831 HydrophobicContact CG-CE2 3.71Å; P813-F831 HydrophobicContact CG-CZ 4.42Å |
| 814 | L | 69.7 | Low | 58.7 | Low | 41 Ų | 41 | 71 Ų | 71 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -77.1 | 125.4 | -176.9 | -65.9 | 166.6 | 0 | 0 | 0 | 111.5 | C812 D816 C817 F831 H834 | C812-L814 PolarHBondContact O-N 3.46Å; L814-D816 VanDerWaalsContact C-N 3.29Å; L814-D816 PolarHBondContact O-N 2.92Å; L814-D816 VanDerWaalsContact O-N 3.16Å; L814-C817 HydrophobicContact CB-CB 4.03Å; L814-C817 WeakPolarHBondContact O-CB 3.34Å; L814-C817 PolarHBondContact O-N 2.85Å; L814-C817 VanDerWaalsContact O-N 3.09Å; L814-F831 HydrophobicContact CD1-CE2 4.47Å; L814-H834 HydrophobicContact CD1-CB 3.3Å; L814-H834 VanDerWaalsContact CD1-CG 3.44Å |
| 815 | K | 55.5 | Low | 60.3 | Low | 136 Ų | 136 | 68.9 Ų | 68.9 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.7 | -167.9 | -139.8 | 175.2 | -167.4 | 177.2 | 0 | 114.3 | Q818 E1104 | K815-Q818 PolarHBondContact O-NE2 2.87Å; K815-E1104 IonicContact NZ-OE1 2.85Å; K815-E1104 PolarHBondContact NZ-OE1 3.39Å; K815-E1104 IonicContact NZ-OE2 3.16Å; K815-E1104 PolarHBondContact NZ-OE2 3.38Å |
| 816 | D | 58 | Low | 61.9 | Low | 137 Ų | 137 | 63.3 Ų | 63.3 | 73% | 0.733 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -22.7 | -177 | -60.2 | -51 | 0 | 0 | 0 | 113.7 | L814 Q818 | L814-D816 VanDerWaalsContact C-N 3.29Å; L814-D816 PolarHBondContact O-N 2.92Å; L814-D816 VanDerWaalsContact O-N 3.16Å; D816-Q818 PolarHBondContact O-NE2 3.48Å |
| 817 | C | 69.8 | Low | 63.8 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -57.4 | -174.6 | 167.1 | 0 | 0 | 0 | 0 | 112 | C812 L814 I819 H830 H834 R1278 | C812-C817 HydrophobicContact CB-CB 4.14Å; C812-C817 VanDerWaalsContact CB-SG 3.51Å; C812-C817 VanDerWaalsContact SG-SG 3.69Å; L814-C817 HydrophobicContact CB-CB 4.03Å; L814-C817 WeakPolarHBondContact O-CB 3.34Å; L814-C817 PolarHBondContact O-N 2.85Å; L814-C817 VanDerWaalsContact O-N 3.09Å; C817-I819 PolarHBondContact O-N 3.03Å; C817-I819 VanDerWaalsContact SG-CB 3.59Å; C817-I819 PolarHBondContact SG-N 3.15Å; C817-H830 PolarHBondContact SG-CE1 3.26Å; C817-H830 PolarHBondContact SG-NE2 3.18Å; C817-H834 WeakPolarHBondContact CB-NE2 3.35Å; C817-H834 PolarHBondContact SG-NE2 3.18Å; C817-R1278 PolarHBondContact O-NH1 3.25Å |
| 818 | Q | 60.6 | Low | 65.2 | Low | 45 Ų | 45 | 55.5 Ų | 55.5 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | | | trans | 58.2 | 14.2 | 178.8 | -60 | 143.7 | 38.4 | 0 | 0 | 115.3 | K815 D816 R1278 R1279 | K815-Q818 PolarHBondContact O-NE2 2.87Å; D816-Q818 PolarHBondContact O-NE2 3.48Å; Q818-R1278 HydrophobicContact CB-CB 3.82Å; Q818-R1278 HydrophobicContact CB-CG 3.91Å; Q818-R1278 HydrophobicContact CG-CB 4.38Å; Q818-R1279 HydrophobicContact CG-CG 4.05Å |
| 819 | I | 59 | Low | 66.6 | Low | 59 Ų | 59 | 54.1 Ų | 54.1 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | | | trans | -82.8 | 143.9 | 175.1 | -68.3 | 168.7 | 0 | 0 | 0 | 110.8 | C812 C817 | C812-I819 PolarHBondContact N-O 2.77Å; C817-I819 PolarHBondContact O-N 3.03Å; C817-I819 VanDerWaalsContact SG-CB 3.59Å; C817-I819 PolarHBondContact SG-N 3.15Å |
| 820 | I | 65.8 | Low | 67.9 | Low | 56 Ų | 56 | 53.3 Ų | 53.3 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.1 | -179.5 | -58.7 | 160.9 | 0 | 0 | 0 | 107.2 | I809 I1281 | I809-I820 HydrophobicContact CG2-CG2 3.27Å; I820-I1281 HydrophobicContact CD1-CB 3.67Å; I820-I1281 HydrophobicContact CD1-CD1 3.69Å; I820-I1281 HydrophobicContact CD1-CG1 4.21Å; I820-I1281 HydrophobicContact CD1-CG2 3.82Å |
| 821 | C | 75 | Confident | 68.9 | Low | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.8 | -173.9 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | F810 D823 S826 F827 | F810-C821 HydrophobicContact CB-CB 4.2Å; F810-C821 PolarHBondContact N-O 2.92Å; F810-C821 PolarHBondContact O-N 3.16Å; C821-D823 VanDerWaalsContact C-N 3.3Å; C821-D823 PolarHBondContact O-N 3.45Å; C821-S826 WeakPolarHBondContact CB-OG 3.44Å; C821-F827 HydrophobicContact CB-CB 3.78Å; C821-F827 VanDerWaalsContact CB-N 3.29Å; C821-F827 VanDerWaalsContact SG-CA 3.54Å |
| 822 | S | 67.5 | Low | 69 | Low | 79 Ų | 79 | 51.3 Ų | 51.3 | 55% | 0.552 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -76.8 | -17.2 | -172 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | S826 | S822-S826 PolarHBondContact N-OG 2.86Å; S822-S826 PolarHBondContact OG-OG 3.12Å |
| 823 | D | 64.7 | Low | 69 | Low | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -162.5 | 173.4 | -172.6 | 46.4 | 64 | 0 | 0 | 0 | 109.7 | C821 A825 S826 F827 | C821-D823 VanDerWaalsContact C-N 3.3Å; C821-D823 PolarHBondContact O-N 3.45Å; D823-A825 VanDerWaalsContact C-N 3.35Å; D823-A825 PolarHBondContact OD1-N 3.35Å; D823-S826 VanDerWaalsContact CG-OG 3.25Å; D823-S826 PolarHBondContact N-OG 3.09Å; D823-S826 PolarHBondContact O-OG 3.08Å; D823-S826 VanDerWaalsContact O-OG 3.05Å; D823-S826 VanDerWaalsContact OD1-CB 3.26Å; D823-S826 WeakPolarHBondContact OD1-CB 3.45Å; D823-S826 PolarHBondContact OD1-N 3.14Å; D823-S826 PolarHBondContact OD1-OG 2.94Å; D823-F827 PolarHBondContact O-N 3.25Å; D823-F827 VanDerWaalsContact O-N 3.12Å |
| 824 | E | 68.3 | Low | 69.2 | Low | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -177.3 | -166.2 | 163.9 | -162.9 | 0 | 0 | 112.1 | F810 F827 Q828 L1086 | F810-E824 HydrophobicContact CE1-CB 4.18Å; F810-E824 HydrophobicContact CE1-CG 4.07Å; F810-E824 HydrophobicContact CE2-CB 3.98Å; F810-E824 HydrophobicContact CZ-CB 3.63Å; F810-E824 HydrophobicContact CZ-CG 3.94Å; E824-F827 PolarHBondContact O-N 3.13Å; E824-Q828 VanDerWaalsContact O-CB 3.27Å; E824-Q828 WeakPolarHBondContact O-CB 3.49Å; E824-Q828 PolarHBondContact O-N 3.35Å; E824-L1086 HydrophobicContact CG-CD1 4.28Å |
| 825 | A | 70.9 | Confident | 69.1 | Low | 72 Ų | 72 | 51.7 Ų | 51.7 | 60% | 0.595 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.4 | -42.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D823 Q828 A829 | D823-A825 VanDerWaalsContact C-N 3.35Å; D823-A825 PolarHBondContact OD1-N 3.35Å; A825-Q828 PolarHBondContact O-N 2.76Å; A825-A829 PolarHBondContact O-N 3.13Å |
| 826 | S | 72.2 | Confident | 69.1 | Low | 38 Ų | 38 | 50.9 Ų | 50.9 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 173 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | C821 S822 D823 Q828 H830 | C821-S826 WeakPolarHBondContact CB-OG 3.44Å; S822-S826 PolarHBondContact N-OG 2.86Å; S822-S826 PolarHBondContact OG-OG 3.12Å; D823-S826 VanDerWaalsContact CG-OG 3.25Å; D823-S826 PolarHBondContact N-OG 3.09Å; D823-S826 PolarHBondContact O-OG 3.08Å; D823-S826 VanDerWaalsContact O-OG 3.05Å; D823-S826 VanDerWaalsContact OD1-CB 3.26Å; D823-S826 WeakPolarHBondContact OD1-CB 3.45Å; D823-S826 PolarHBondContact OD1-N 3.14Å; D823-S826 PolarHBondContact OD1-OG 2.94Å; S826-Q828 VanDerWaalsContact C-N 3.3Å; S826-Q828 PolarHBondContact O-N 3.36Å; S826-H830 WeakPolarHBondContact O-CB 3.25Å; S826-H830 PolarHBondContact O-N 2.6Å; S826-H830 VanDerWaalsContact O-N 3.07Å |
| 827 | F | 78.7 | Confident | 68.8 | Low | 9 Ų | 9 | 47.6 Ų | 47.6 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 170.6 | 176.6 | -90.4 | 0 | 0 | 0 | 111.2 | F810 C821 D823 E824 H830 F831 L1086 | F810-F827 HydrophobicContact CB-CB 3.54Å; F810-F827 HydrophobicContact CB-CD2 3.59Å; F810-F827 HydrophobicContact CB-CG 3.75Å; F810-F827 HydrophobicContact CD1-CB 4.14Å; F810-F827 HydrophobicContact CD1-CD1 4.47Å; F810-F827 HydrophobicContact CD1-CD2 4.48Å; F810-F827 HydrophobicContact CD1-CG 4.1Å; F810-F827 HydrophobicContact CG-CB 3.93Å; F810-F827 HydrophobicContact CG-CD2 4.48Å; F810-F827 HydrophobicContact CG-CG 4.24Å; C821-F827 HydrophobicContact CB-CB 3.78Å; C821-F827 VanDerWaalsContact CB-N 3.29Å; C821-F827 VanDerWaalsContact SG-CA 3.54Å; D823-F827 PolarHBondContact O-N 3.25Å; D823-F827 VanDerWaalsContact O-N 3.12Å; E824-F827 PolarHBondContact O-N 3.13Å; F827-H830 PolarHBondContact O-N 3.43Å; F827-F831 HydrophobicContact CD1-CB 4.32Å; F827-F831 HydrophobicContact CE1-CB 3.85Å; F827-F831 HydrophobicContact CE1-CD1 4.23Å; F827-F831 HydrophobicContact CE1-CG 4.1Å; F827-F831 HydrophobicContact CE2-CB 4.48Å; F827-F831 HydrophobicContact CZ-CB 3.96Å; F827-F831 HydrophobicContact CZ-CD1 4.43Å; F827-F831 HydrophobicContact CZ-CD2 4.37Å; F827-F831 HydrophobicContact CZ-CG 4.01Å; F827-F831 VanDerWaalsContact O-CB 3.31Å; F827-F831 WeakPolarHBondContact O-CB 3.32Å; F827-F831 PolarHBondContact O-N 3.16Å; F827-L1086 HydrophobicContact CD1-CD1 3.52Å; F827-L1086 HydrophobicContact CD1-CD2 4.33Å; F827-L1086 HydrophobicContact CE1-CD1 3.62Å; F827-L1086 HydrophobicContact CE1-CD2 3.67Å; F827-L1086 HydrophobicContact CE1-CG 4.29Å; F827-L1086 HydrophobicContact CZ-CD2 4.35Å |
| 828 | Q | 70.4 | Confident | 68 | Low | 23 Ų | 23 | 52 Ų | 52 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -53.9 | -175 | -167.7 | 54.8 | 66.8 | 0 | 0 | 111.5 | E824 A825 S826 H830 F831 T832 F847 L1086 | E824-Q828 VanDerWaalsContact O-CB 3.27Å; E824-Q828 WeakPolarHBondContact O-CB 3.49Å; E824-Q828 PolarHBondContact O-N 3.35Å; A825-Q828 PolarHBondContact O-N 2.76Å; S826-Q828 VanDerWaalsContact C-N 3.3Å; S826-Q828 PolarHBondContact O-N 3.36Å; Q828-H830 PolarHBondContact O-N 2.76Å; Q828-F831 PolarHBondContact O-N 3.47Å; Q828-T832 PolarHBondContact NE2-OG1 3.02Å; Q828-T832 WeakPolarHBondContact O-CB 3.35Å; Q828-T832 PolarHBondContact O-N 2.92Å; Q828-T832 PolarHBondContact O-OG1 3.16Å; Q828-F847 HydrophobicContact CG-CB 3.87Å; Q828-F847 HydrophobicContact CG-CG 4.35Å; Q828-F847 VanDerWaalsContact NE2-CD2 3.28Å; Q828-L1086 VanDerWaalsContact OE1-CD1 3.26Å |
| 829 | A | 72.3 | Confident | 67.2 | Low | 72 Ų | 72 | 52.5 Ų | 52.5 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -56 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A825 G833 | A825-A829 PolarHBondContact O-N 3.13Å; A829-G833 PolarHBondContact O-N 3.03Å |
| 830 | H | 78.6 | Confident | 66.1 | Low | 33 Ų | 33 | 56.4 Ų | 56.4 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.5 | -46.2 | 179.8 | 172.3 | 57.1 | 0 | 0 | 0 | 113.8 | C812 C817 S826 F827 Q828 G833 H834 | C812-H830 VanDerWaalsContact CB-NE2 3.31Å; C812-H830 WeakPolarHBondContact CB-NE2 3.49Å; C812-H830 PolarHBondContact SG-NE2 3.22Å; C812-H830 VanDerWaalsContact SG-NE2 3.37Å; C817-H830 PolarHBondContact SG-CE1 3.26Å; C817-H830 PolarHBondContact SG-NE2 3.18Å; S826-H830 WeakPolarHBondContact O-CB 3.25Å; S826-H830 PolarHBondContact O-N 2.6Å; S826-H830 VanDerWaalsContact O-N 3.07Å; F827-H830 PolarHBondContact O-N 3.43Å; Q828-H830 PolarHBondContact O-N 2.76Å; H830-G833 PolarHBondContact O-N 2.94Å; H830-H834 AromaticContact CE1-CD2 3.4Å; H830-H834 PolarHBondContact CE1-CD2 3.21Å; H830-H834 AromaticContact CE1-NE2 3.18Å; H830-H834 PolarHBondContact CE1-NE2 2.93Å; H830-H834 AromaticContact NE2-CD2 3.56Å; H830-H834 AromaticContact NE2-NE2 3.59Å; H830-H834 PolarHBondContact O-N 3.48Å |
| 831 | F | 76.1 | Confident | 65 | Low | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 178.5 | -176.3 | -115.9 | 0 | 0 | 0 | 111.1 | P813 L814 F827 Q828 G833 H834 L835 F847 L1090 | P813-F831 HydrophobicContact CG-CD2 4.24Å; P813-F831 HydrophobicContact CG-CE2 3.71Å; P813-F831 HydrophobicContact CG-CZ 4.42Å; L814-F831 HydrophobicContact CD1-CE2 4.47Å; F827-F831 HydrophobicContact CD1-CB 4.32Å; F827-F831 HydrophobicContact CE1-CB 3.85Å; F827-F831 HydrophobicContact CE1-CD1 4.23Å; F827-F831 HydrophobicContact CE1-CG 4.1Å; F827-F831 HydrophobicContact CE2-CB 4.48Å; F827-F831 HydrophobicContact CZ-CB 3.96Å; F827-F831 HydrophobicContact CZ-CD1 4.43Å; F827-F831 HydrophobicContact CZ-CD2 4.37Å; F827-F831 HydrophobicContact CZ-CG 4.01Å; F827-F831 VanDerWaalsContact O-CB 3.31Å; F827-F831 WeakPolarHBondContact O-CB 3.32Å; F827-F831 PolarHBondContact O-N 3.16Å; Q828-F831 PolarHBondContact O-N 3.47Å; F831-G833 PolarHBondContact O-N 2.86Å; F831-H834 WeakPolarHBondContact O-CB 3.32Å; F831-H834 PolarHBondContact O-N 3.24Å; F831-L835 HydrophobicContact CD1-CD1 3.99Å; F831-L835 HydrophobicContact CE1-CD1 3.83Å; F831-L835 HydrophobicContact CE1-CD2 4.47Å; F831-L835 HydrophobicContact CE1-CG 4.35Å; F831-L835 HydrophobicContact CZ-CD1 4.47Å; F831-L835 HydrophobicContact CZ-CD2 4.33Å; F831-L835 PolarHBondContact O-N 3.33Å; F831-L835 VanDerWaalsContact O-N 3.11Å; F831-F847 HydrophobicContact CD1-CE2 4.48Å; F831-F847 HydrophobicContact CD1-CZ 4.28Å; F831-F847 HydrophobicContact CE1-CE2 4.48Å; F831-F847 HydrophobicContact CE1-CZ 4.16Å; F831-L1090 HydrophobicContact CE1-CD2 4.4Å; F831-L1090 HydrophobicContact CZ-CD2 4.5Å |
| 832 | T | 72 | Confident | 63.6 | Low | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.104 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -53.1 | -41.5 | 167.3 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | Q828 H834 L835 H836 T844 | Q828-T832 PolarHBondContact NE2-OG1 3.02Å; Q828-T832 WeakPolarHBondContact O-CB 3.35Å; Q828-T832 PolarHBondContact O-N 2.92Å; Q828-T832 PolarHBondContact O-OG1 3.16Å; T832-H834 PolarHBondContact O-N 3.35Å; T832-L835 PolarHBondContact O-N 3.12Å; T832-L835 VanDerWaalsContact O-N 3.11Å; T832-H836 VanDerWaalsContact CG2-CE1 3.5Å; T832-H836 WeakPolarHBondContact CG2-CE1 3.44Å; T832-H836 PolarHBondContact O-N 3.34Å; T832-H836 PolarHBondContact O-ND1 2.83Å; T832-T844 HydrophobicContact CG2-CG2 3.56Å |
| 833 | G | 76.2 | Confident | 62.8 | Low | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.8 | -15.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | A829 H830 F831 | A829-G833 PolarHBondContact O-N 3.03Å; H830-G833 PolarHBondContact O-N 2.94Å; F831-G833 PolarHBondContact O-N 2.86Å |
| 834 | H | 71.9 | Confident | 61.9 | Low | 67 Ų | 67 | 57.6 Ų | 57.6 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -95.3 | -25.3 | 170 | -79.3 | -70.6 | 0 | 0 | 0 | 113.9 | L814 C817 H830 F831 T832 H836 | L814-H834 HydrophobicContact CD1-CB 3.3Å; L814-H834 VanDerWaalsContact CD1-CG 3.44Å; C817-H834 WeakPolarHBondContact CB-NE2 3.35Å; C817-H834 PolarHBondContact SG-NE2 3.18Å; H830-H834 AromaticContact CE1-CD2 3.4Å; H830-H834 PolarHBondContact CE1-CD2 3.21Å; H830-H834 AromaticContact CE1-NE2 3.18Å; H830-H834 PolarHBondContact CE1-NE2 2.93Å; H830-H834 AromaticContact NE2-CD2 3.56Å; H830-H834 AromaticContact NE2-NE2 3.59Å; H830-H834 PolarHBondContact O-N 3.48Å; F831-H834 WeakPolarHBondContact O-CB 3.32Å; F831-H834 PolarHBondContact O-N 3.24Å; T832-H834 PolarHBondContact O-N 3.35Å; H834-H836 VanDerWaalsContact C-N 3.32Å |
| 835 | L | 66.8 | Low | 60.7 | Low | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.5 | -32.5 | 172.9 | -63.6 | 170.1 | 0 | 0 | 0 | 110.8 | F831 T832 G837 H838 L839 L843 F847 | F831-L835 HydrophobicContact CD1-CD1 3.99Å; F831-L835 HydrophobicContact CE1-CD1 3.83Å; F831-L835 HydrophobicContact CE1-CD2 4.47Å; F831-L835 HydrophobicContact CE1-CG 4.35Å; F831-L835 HydrophobicContact CZ-CD1 4.47Å; F831-L835 HydrophobicContact CZ-CD2 4.33Å; F831-L835 PolarHBondContact O-N 3.33Å; F831-L835 VanDerWaalsContact O-N 3.11Å; T832-L835 PolarHBondContact O-N 3.12Å; T832-L835 VanDerWaalsContact O-N 3.11Å; L835-G837 PolarHBondContact O-N 3.25Å; L835-H838 PolarHBondContact O-N 2.87Å; L835-L839 HydrophobicContact CD2-CD1 4.38Å; L835-L843 HydrophobicContact CD1-CB 4.26Å; L835-L843 HydrophobicContact CD1-CD1 4.12Å; L835-L843 HydrophobicContact CD2-CD1 4.39Å; L835-F847 HydrophobicContact CD1-CE2 3.81Å |
| 836 | H | 56.8 | Low | 59.6 | Low | 119 Ų | 119 | 62.7 Ų | 62.7 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 91.4 | 169.4 | -80.7 | 69.5 | 0 | 0 | 0 | 111.6 | T832 H834 | T832-H836 VanDerWaalsContact CG2-CE1 3.5Å; T832-H836 WeakPolarHBondContact CG2-CE1 3.44Å; T832-H836 PolarHBondContact O-N 3.34Å; T832-H836 PolarHBondContact O-ND1 2.83Å; H834-H836 VanDerWaalsContact C-N 3.32Å |
| 837 | G | 52.2 | Low | 58.1 | Low | 69 Ų | 69 | 62 Ų | 62 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.2 | -3.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L835 | L835-G837 PolarHBondContact O-N 3.25Š|
| 838 | H | 51.3 | Low | 56.2 | Low | 101 Ų | 101 | 65.2 Ų | 65.2 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -2.8 | 179.9 | -78 | -6.5 | 0 | 0 | 0 | 115.8 | L835 R1106 | L835-H838 PolarHBondContact O-N 2.87Å; H838-R1106 PolarHBondContact CE1-NH1 2.95Å; H838-R1106 PolarHBondContact CE1-NH2 2.83Å; H838-R1106 VanDerWaalsContact CE1-NH2 3.35Å; H838-R1106 PolarHBondContact NE2-NH1 3.02Å; H838-R1106 PolarHBondContact NE2-NH2 2.94Å |
| 839 | L | 44.7 | Very low | 54.6 | Low | 56 Ų | 56 | 69.9 Ų | 69.9 | 29% | 0.293 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -134.7 | 142.8 | 172 | -70.9 | 171.8 | 0 | 0 | 0 | 111.5 | L835 G841 L843 I1097 | L835-L839 HydrophobicContact CD2-CD1 4.38Å; L839-G841 PolarHBondContact O-N 3.35Å; L839-L843 HydrophobicContact CD1-CD1 3.57Å; L839-L843 HydrophobicContact CD1-CG 4.39Å; L839-I1097 HydrophobicContact CD2-CG2 4.25Å |
| 840 | P | 35.8 | Very low | 52.9 | Low | 141 Ų | 141 | 71 Ų | 71 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -81.4 | 67.1 | 172.8 | 35.1 | -34.8 | 0 | 0 | 0 | 110.4 | | |
| 841 | G | 42.7 | Very low | 50.7 | Low | 45 Ų | 45 | 72.4 Ų | 72.4 | 46% | 0.464 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 174.8 | 135.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L839 L843 | L839-G841 PolarHBondContact O-N 3.35Å; G841-L843 PolarHBondContact O-N 2.91Å; G841-L843 VanDerWaalsContact O-N 3.14Å |
| 842 | D | 44.7 | Very low | 48.6 | Very low | 100 Ų | 100 | 79 Ų | 79 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | | | trans | -82 | 94 | -178.6 | -166.6 | -17.3 | 0 | 0 | 0 | 110.6 | T844 | D842-T844 PolarHBondContact O-N 2.87Å; D842-T844 VanDerWaalsContact O-N 3.08Å; D842-T844 VanDerWaalsContact OD1-CB 3.25Å; D842-T844 WeakPolarHBondContact OD1-CB 3.41Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.17Å; D842-T844 PolarHBondContact OD1-N 3.48Å; D842-T844 PolarHBondContact OD1-OG1 3.21Å; D842-T844 PolarHBondContact OD2-OG1 3.09Å |
| 843 | L | 51.1 | Low | 46.5 | Very low | 51 Ų | 51 | 84.6 Ų | 84.6 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -70.4 | 4.1 | 179.7 | -59.4 | -171.1 | 0 | 0 | 0 | 113.8 | L835 L839 G841 E845 L846 F847 | L835-L843 HydrophobicContact CD1-CB 4.26Å; L835-L843 HydrophobicContact CD1-CD1 4.12Å; L835-L843 HydrophobicContact CD2-CD1 4.39Å; L839-L843 HydrophobicContact CD1-CD1 3.57Å; L839-L843 HydrophobicContact CD1-CG 4.39Å; G841-L843 PolarHBondContact O-N 2.91Å; G841-L843 VanDerWaalsContact O-N 3.14Å; L843-E845 PolarHBondContact O-N 3.14Å; L843-L846 HydrophobicContact CB-CD1 4.45Å; L843-L846 HydrophobicContact CD2-CD1 3.91Å; L843-L846 HydrophobicContact CD2-CG 4.5Å; L843-L846 PolarHBondContact O-N 3.44Å; L843-L846 VanDerWaalsContact O-N 3.11Å; L843-F847 WeakPolarHBondContact O-CD2 3.32Å |
| 844 | T | 45.3 | Very low | 44.3 | Very low | 34 Ų | 34 | 88.1 Ų | 88.1 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -56.1 | -29.4 | 172.6 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | T832 D842 L846 F847 N848 | T832-T844 HydrophobicContact CG2-CG2 3.56Å; D842-T844 PolarHBondContact O-N 2.87Å; D842-T844 VanDerWaalsContact O-N 3.08Å; D842-T844 VanDerWaalsContact OD1-CB 3.25Å; D842-T844 WeakPolarHBondContact OD1-CB 3.41Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.17Å; D842-T844 PolarHBondContact OD1-N 3.48Å; D842-T844 PolarHBondContact OD1-OG1 3.21Å; D842-T844 PolarHBondContact OD2-OG1 3.09Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.38Å; T844-F847 CarbonylContact O-C 3.57Å; T844-F847 PolarHBondContact O-N 3.41Å; T844-F847 VanDerWaalsContact O-N 3.14Å; T844-N848 PolarHBondContact O-N 2.99Å; T844-N848 VanDerWaalsContact O-N 3.09Å; T844-N848 PolarHBondContact O-ND2 3.27Å |
| 845 | E | 44.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 91.3 Ų | 91.3 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -67.6 | -29.6 | 177 | -63.8 | -159.9 | 155.8 | 0 | 0 | 113.4 | L843 F847 | L843-E845 PolarHBondContact O-N 3.14Å; E845-F847 PolarHBondContact O-N 3.37Å |
| 846 | L | 47.4 | Very low | 40.5 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -69.6 | -9.2 | 173.7 | -63.6 | -176.1 | 0 | 0 | 0 | 113.3 | L843 T844 | L843-L846 HydrophobicContact CB-CD1 4.45Å; L843-L846 HydrophobicContact CD2-CD1 3.91Å; L843-L846 HydrophobicContact CD2-CG 4.5Å; L843-L846 PolarHBondContact O-N 3.44Å; L843-L846 VanDerWaalsContact O-N 3.11Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.38Å |
| 847 | F | 41.1 | Very low | 39.1 | Very low | 23 Ų | 23 | 95.6 Ų | 95.6 | 10% | 0.101 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -134.6 | -0.6 | -161.1 | -73.8 | -52.3 | 0 | 0 | 0 | 114.5 | Q828 F831 L835 L843 T844 E845 P849 L1086 A1089 | Q828-F847 HydrophobicContact CG-CB 3.87Å; Q828-F847 HydrophobicContact CG-CG 4.35Å; Q828-F847 VanDerWaalsContact NE2-CD2 3.28Å; F831-F847 HydrophobicContact CD1-CE2 4.48Å; F831-F847 HydrophobicContact CD1-CZ 4.28Å; F831-F847 HydrophobicContact CE1-CE2 4.48Å; F831-F847 HydrophobicContact CE1-CZ 4.16Å; L835-F847 HydrophobicContact CD1-CE2 3.81Å; L843-F847 WeakPolarHBondContact O-CD2 3.32Å; T844-F847 CarbonylContact O-C 3.57Å; T844-F847 PolarHBondContact O-N 3.41Å; T844-F847 VanDerWaalsContact O-N 3.14Å; E845-F847 PolarHBondContact O-N 3.37Å; F847-P849 WeakPolarHBondContact O-CD 3.31Å; F847-L1086 HydrophobicContact CE1-CG 4.46Å; F847-A1089 HydrophobicContact CD1-CB 4.37Å; F847-A1089 HydrophobicContact CE1-CB 3.68Å; F847-A1089 HydrophobicContact CZ-CB 4.36Å |
| 848 | N | 38.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | | | trans | -99.8 | 99.7 | 177.9 | -98 | -43.9 | 0 | 0 | 0 | 111.4 | T844 S850 S851 | T844-N848 PolarHBondContact O-N 2.99Å; T844-N848 VanDerWaalsContact O-N 3.09Å; T844-N848 PolarHBondContact O-ND2 3.27Å; N848-S850 PolarHBondContact O-N 3.27Å; N848-S851 WeakPolarHBondContact CB-OG 3.49Å; N848-S851 PolarHBondContact O-N 2.93Å |
| 849 | P | 36.6 | Very low | 37.2 | Very low | 122 Ų | 122 | 104.1 Ų | 104.1 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 1.9 | 172.4 | 30.5 | -36.8 | 0 | 0 | 0 | 113.5 | F847 | F847-P849 WeakPolarHBondContact O-CD 3.31Š|
| 850 | S | 36 | Very low | 36.7 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -2.7 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 114.5 | N848 L852 | N848-S850 PolarHBondContact O-N 3.27Å; S850-L852 VanDerWaalsContact C-N 3.31Å |
| 851 | S | 33.4 | Very low | 36.5 | Very low | 62 Ų | 62 | 109.2 Ų | 109.2 | 43% | 0.434 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -81.3 | -7.8 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | N848 T853 | N848-S851 WeakPolarHBondContact CB-OG 3.49Å; N848-S851 PolarHBondContact O-N 2.93Å; S851-T853 VanDerWaalsContact C-N 3.33Å; S851-T853 PolarHBondContact O-N 3.12Å |
| 852 | L | 30.8 | Very low | 35.8 | Very low | 146 Ų | 146 | 111.9 Ų | 111.9 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | | | trans | -89.9 | 31.1 | -170.8 | -103.6 | 71.1 | 0 | 0 | 0 | 115 | S850 | S850-L852 VanDerWaalsContact C-N 3.31Š|
| 853 | T | 28.9 | Very low | 34.9 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 82% | 0.816 | 65% | 0.654 | S | S | * | * | | | trans | -108.9 | 45.9 | 171.2 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | S851 | S851-T853 VanDerWaalsContact C-N 3.33Å; S851-T853 PolarHBondContact O-N 3.12Å |
| 854 | T | 29.3 | Very low | 34 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | | | trans | -108.2 | 119.2 | 171.7 | -58 | 0 | 0 | 0 | 0 | 109.4 | | |
| 855 | T | 29.6 | Very low | 33.1 | Very low | 134 Ų | 134 | 123 Ų | 123 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | | | trans | -60.2 | 133.5 | -173.3 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | G857 | T855-G857 PolarHBondContact O-N 3.42Å; T855-G857 VanDerWaalsContact O-N 3.17Å |
| 856 | I | 29.1 | Very low | 32.3 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | | | trans | -67.5 | 109.2 | 173.4 | -58.7 | 169.6 | 0 | 0 | 0 | 109.3 | | |
| 857 | G | 29 | Very low | 31.4 | Very low | 54 Ų | 54 | 123.7 Ų | 123.7 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | | | trans | 168.4 | 123.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T855 | T855-G857 PolarHBondContact O-N 3.42Å; T855-G857 VanDerWaalsContact O-N 3.17Å |
| 858 | T | 33.1 | Very low | 30.7 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | | | trans | 64.7 | 132.4 | 164.7 | 59.1 | 0 | 0 | 0 | 0 | 119 | | |
| 859 | K | 30.6 | Very low | 30.4 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -86.1 | 147.2 | 167 | -57.6 | 174.7 | 177.9 | -179.3 | 0 | 109.4 | | |
| 860 | I | 32.3 | Very low | 30 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | | 165.4 | 132.6 | 123.6 | -88.3 | 160.1 | 0 | 0 | 0 | 112 | | |
| 861 | L | 32.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | 46.4 | 105.9 | 162.7 | -92.6 | 60 | 0 | 0 | 0 | 121.7 | | |
| 862 | S | 27.8 | Very low | 29.8 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | | 45.8 | 135.1 | 122.9 | 57.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 863 | H | 27.2 | Very low | 29.7 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -67.1 | 141.4 | -174.6 | -44.8 | -91.2 | 0 | 0 | 0 | 116.2 | | |
| 864 | T | 30.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -144.7 | 142.1 | 139.5 | -65 | 0 | 0 | 0 | 0 | 107.3 | | |
| 865 | A | 27.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -76.3 | 148.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 866 | M | 27.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 133 Ų | 133 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | | 179.3 | 134.1 | 127.1 | -95.6 | -73.1 | -103.8 | 0 | 0 | 112.6 | | |
| 867 | T | 30.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | 49.9 | 115.3 | 145.8 | -48.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 868 | T | 26.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -41.4 | 124.3 | 167.2 | -43.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 869 | V | 30.7 | Very low | 30.1 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -142.7 | 139.9 | 149.2 | -162.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 870 | T | 27.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -88.4 | 131.3 | -177.2 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 871 | S | 33.1 | Very low | 30.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -159.5 | 161.9 | 152.6 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 872 | T | 32.7 | Very low | 29.9 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -87.5 | 158.1 | -166.7 | 41.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 873 | P | 28.1 | Very low | 30.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -79.4 | 160.5 | -178.3 | 34.4 | -37.4 | 0 | 0 | 0 | 113.5 | | |
| 874 | V | 33.7 | Very low | 30.2 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 58% | 0.582 | 76% | 0.757 | S | S | * | * | | | trans | -139.3 | 140.9 | 165.2 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 875 | V | 28.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -105.6 | 134.1 | -176.6 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | T877 | V875-T877 HydrophobicContact CG1-CG2 4.19Š|
| 876 | V | 34.7 | Very low | 30.3 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | -134.1 | 141.4 | 164.1 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 877 | T | 30.9 | Very low | 30.4 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 64% | 0.638 | 73% | 0.73 | S | S | * | * | | | trans | -116.3 | 144.7 | -161.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | V875 | V875-T877 HydrophobicContact CG1-CG2 4.19Š|
| 878 | S | 29.3 | Very low | 30.4 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | 68.2 | 148.4 | 150.1 | -59.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 879 | T | 32 | Very low | 30.5 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | cis | -156.6 | 162.3 | -3.2 | 7.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 880 | P | 29.8 | Very low | 30.6 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | | | trans | -92.7 | 152.1 | -166.6 | 36.3 | -35.1 | 0 | 0 | 0 | 115 | | |
| 881 | I | 32.2 | Very low | 30.7 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | trans | -133 | 147.6 | 157.7 | -64.8 | -175 | 0 | 0 | 0 | 108.8 | | |
| 882 | V | 28.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | | | trans | -87.9 | 154.5 | -173.3 | -151.8 | 0 | 0 | 0 | 0 | 111 | | |
| 883 | Q | 31 | Very low | 30.5 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | | 151.6 | 123.8 | 117.4 | -160.4 | 60 | 24.9 | 0 | 0 | 114.5 | | |
| 884 | S | 30.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | | | trans | 58.6 | 119 | 150.3 | 66 | 0 | 0 | 0 | 0 | 123.7 | | |
| 885 | L | 28.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 125 Ų | 125 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | | | | 89.7 | 133.3 | 120.1 | -74.3 | 171.9 | 0 | 0 | 0 | 122.5 | L1070 | L885-L1070 HydrophobicContact CD2-CD2 3.68Å; L885-L1070 HydrophobicContact CG-CD2 4.41Å |
| 886 | I | 32.2 | Very low | 30.5 | Very low | 131 Ų | 131 | 124 Ų | 124 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | | | trans | 83.5 | 86 | 147.5 | -63.1 | 160.2 | 0 | 0 | 0 | 117.9 | | |
| 887 | D | 28.7 | Very low | 30.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 56% | 0.556 | 72% | 0.724 | S | S | * | * | | | | 68.8 | 115.9 | 112.8 | -53.3 | -9.6 | 0 | 0 | 0 | 123.3 | | |
| 888 | N | 31 | Very low | 30 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | | | | 90.6 | 143.3 | 122.5 | -69.7 | -15.6 | 0 | 0 | 0 | 123 | | |
| 889 | C | 28.3 | Very low | 30 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | | | trans | 69.8 | 120.2 | 168.8 | -61.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 890 | V | 32.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | | | | 72.3 | 119.1 | 54.7 | 176.7 | 0 | 0 | 0 | 0 | 109 | | |
| 891 | D | 30.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | cis | -159.9 | -176.6 | 25.8 | -144.1 | -23.8 | 0 | 0 | 0 | 114.9 | | |
| 892 | T | 32.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 125 Ų | 125 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | 70.9 | 101.1 | 149.1 | 48.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 893 | S | 28.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | | 77.3 | 151.1 | 121.8 | -101.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 894 | P | 33.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 63% | 0.63 | 73% | 0.73 | S | S | * | * | | | trans | -109 | -174.5 | -168.3 | 44.1 | -36.6 | 0 | 0 | 0 | 114.2 | | |
| 895 | H | 29.4 | Very low | 29.3 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | 134.3 | 141.4 | 155.5 | -70.9 | -44.2 | 0 | 0 | 0 | 109.6 | | |
| 896 | S | 27 | Very low | 29.3 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | cis | -169.6 | -171.4 | -11.7 | -90.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 897 | L | 29.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | trans | 73.4 | 82.5 | 159.5 | -53 | -179.3 | 0 | 0 | 0 | 119.1 | | |
| 898 | S | 26.1 | Very low | 29.4 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 49.8 | 142.8 | 109.6 | 67.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 899 | S | 27.5 | Very low | 29.3 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 93.3 | 110.9 | 147.5 | 78 | 0 | 0 | 0 | 0 | 119.5 | | |
| 900 | N | 26 | Very low | 29.3 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 30.3 | 116.4 | 133.6 | -53.1 | -20.1 | 0 | 0 | 0 | 119 | | |
| 901 | L | 29.9 | Very low | 29.1 | Very low | 181 Ų | 181 | 136 Ų | 136 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | | | | -155.7 | 160.9 | 119.4 | -133.3 | 71.2 | 0 | 0 | 0 | 111.4 | | |
| 902 | S | 25.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -120.3 | 133.1 | 174.3 | 178 | 0 | 0 | 0 | 0 | 109 | | |
| 903 | Y | 26.5 | Very low | 28.9 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | | 171.5 | 146.2 | 128 | -114.6 | -93.9 | 0 | 0 | 0 | 112.6 | | |
| 904 | G | 30.5 | Very low | 28.7 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | 82 | 157.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 905 | Q | 32 | Very low | 28.3 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | cis | -151.3 | 154.8 | -9.2 | -129.9 | 174.7 | 7.7 | 0 | 0 | 111.1 | | |
| 906 | T | 27.8 | Very low | 28.2 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -85.2 | 146.9 | -175.2 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 907 | T | 34.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -144.7 | 128.8 | 144.4 | 13.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 908 | H | 27.1 | Very low | 28 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -80.8 | 173.8 | 162.6 | -62.1 | -99.2 | 0 | 0 | 0 | 108.4 | | |
| 909 | C | 30.6 | Very low | 27.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | | -159.1 | 151.4 | 65.5 | -74.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 910 | L | 26.9 | Very low | 27.9 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | -86.4 | 135.3 | 161 | -83 | 159 | 0 | 0 | 0 | 110 | | |
| 911 | T | 29.4 | Very low | 28 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | 172.2 | 145.3 | 153.6 | 37.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 912 | D | 26.5 | Very low | 28 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | | | cis | -159.4 | -161.3 | -4.3 | -109.6 | -26.1 | 0 | 0 | 0 | 108.7 | | |
| 913 | Y | 31 | Very low | 28.4 | Very low | 201 Ų | 201 | 136.1 Ų | 136.1 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | | | trans | 86.7 | 73.1 | 160.8 | -60.5 | -77.1 | 0 | 0 | 0 | 119.9 | | |
| 914 | T | 25.9 | Very low | 28.8 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | | 33.7 | 129.1 | 112 | 63.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 915 | T | 24.8 | Very low | 29 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | 56.2 | 116.8 | 140.4 | 59.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 916 | T | 27.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | | -170.4 | 135.8 | 109.4 | 23.6 | 0 | 0 | 0 | 0 | 108 | | |
| 917 | T | 26.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | | | | 87.2 | 85.3 | 57.6 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 918 | T | 25.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | 69.7 | 158 | 144.3 | 70.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 919 | L | 25.5 | Very low | 30.1 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | | | trans | 67.1 | 154.7 | 164.5 | -87.7 | 69.1 | 0 | 0 | 0 | 114.8 | | |
| 920 | S | 25.7 | Very low | 30.4 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 49% | 0.49 | 72% | 0.723 | S | S | . | * | | | cis | -160.6 | 152.7 | -2.4 | -124.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 921 | Q | 28.8 | Very low | 30.7 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | | | trans | 67.1 | 150.3 | 145.9 | -68.3 | 162.3 | 63.1 | 0 | 0 | 117.6 | | |
| 922 | S | 30.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | cis | -162.4 | 150.4 | -3.6 | 41 | 0 | 0 | 0 | 0 | 111.7 | | |
| 923 | S | 32.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | | | trans | 57.1 | 146.7 | 153.8 | 53.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 924 | A | 36.2 | Very low | 31.1 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | cis | -168 | 157.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 925 | C | 35.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | | | cis | -155.3 | 160.4 | -0.1 | -119.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 926 | D | 37.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | 78.6 | 100 | 141.7 | -77.4 | 39.5 | 0 | 0 | 0 | 123.8 | | |
| 927 | N | 38.6 | Very low | 32 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | | | | 91.6 | 95.3 | 125.5 | -52.1 | -24.3 | 0 | 0 | 0 | 118.4 | | |
| 928 | Y | 33.2 | Very low | 32.1 | Very low | 209 Ų | 209 | 128.6 Ų | 128.6 | 82% | 0.82 | 72% | 0.715 | S | S | * | * | | | | 82.5 | 148.8 | 78.4 | -67.5 | -43.7 | 0 | 0 | 0 | 112.9 | | |
| 929 | H | 34.5 | Very low | 32.2 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | | | cis | -158.3 | 170.3 | 20.6 | -154.9 | -151.8 | 0 | 0 | 0 | 114.3 | | |
| 930 | V | 37.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | | | trans | 69.8 | 85.8 | 162.4 | -163.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 931 | S | 32.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -63.1 | -179.2 | 146.8 | -27.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 932 | L | 31.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | | 159.3 | 144.5 | 119.2 | -83.6 | 170.7 | 0 | 0 | 0 | 114.7 | | |
| 933 | I | 34.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | 68.4 | 130.2 | 140.4 | -71.5 | 169.9 | 0 | 0 | 0 | 118.2 | | |
| 934 | N | 30.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | | | cis | -172.9 | 167.5 | -5.1 | -118.3 | -5.4 | 0 | 0 | 0 | 114 | | |
| 935 | I | 33.9 | Very low | 32.6 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 65% | 0.651 | 75% | 0.748 | S | S | * | * | | | trans | 67 | 99.6 | 141.8 | -65.7 | 164.7 | 0 | 0 | 0 | 120.2 | | |
| 936 | Q | 26.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | | 50.4 | 149.5 | 124.6 | -68.4 | 179.1 | -68.9 | 0 | 0 | 124.4 | | |
| 937 | P | 36.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -98 | 167.7 | 173.5 | 40.6 | -36 | 0 | 0 | 0 | 113.9 | | |
| 938 | N | 28.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | -172.9 | 134.5 | 141.8 | -107.5 | -39.1 | 0 | 0 | 0 | 115.5 | | |
| 939 | L | 26.8 | Very low | 31.8 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 48.9 | 168.1 | 134.2 | -110.3 | 65.3 | 0 | 0 | 0 | 124.9 | | |
| 940 | A | 30.9 | Very low | 31.7 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 72.8 | 128.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 941 | V | 28.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | cis | 88 | 125.6 | 21.9 | -173.6 | 0 | 0 | 0 | 0 | 115 | | |
| 942 | G | 31.3 | Very low | 31.5 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 98.6 | 147 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 943 | G | 30.1 | Very low | 31.6 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | cis | 166.2 | 150 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 944 | D | 33 | Very low | 31.7 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | | | trans | 59.8 | 154.3 | 161.8 | -50.7 | -35.1 | 0 | 0 | 0 | 120.4 | | |
| 945 | G | 35.2 | Very low | 31.8 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 161.9 | 43 | -179.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 946 | L | 30.6 | Very low | 31.6 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | | | trans | -47.7 | 141.6 | -178.1 | -60.7 | 161.9 | 0 | 0 | 0 | 115.9 | | |
| 947 | S | 30.7 | Very low | 32 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 145.6 | 113.8 | 106.6 | -165.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 948 | G | 33 | Very low | 31.6 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | trans | 78.8 | 159.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 949 | T | 32.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | cis | -169.3 | 159.7 | -15 | 26.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 950 | Y | 31.8 | Very low | 31.9 | Very low | 203 Ų | 203 | 123.7 Ų | 123.7 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | 79.7 | 102.6 | 155.3 | -56.3 | -47.8 | 0 | 0 | 0 | 122.1 | | |
| 951 | E | 32.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | | 91 | 133.7 | 118.3 | -69.3 | -131.5 | 119.7 | 0 | 0 | 123.9 | | |
| 952 | K | 33.4 | Very low | 32 | Very low | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 84.5 | 141.7 | -73.8 | -176 | 174.7 | 79.1 | 0 | 121.1 | | |
| 953 | S | 32.1 | Very low | 32 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | | -15 | 148.8 | 105.5 | -147.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 954 | P | 38.3 | Very low | 32 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | | | cis | -158.7 | -177.4 | 46.5 | 44 | -21.8 | 0 | 0 | 0 | 119.5 | | |
| 955 | N | 31 | Very low | 32 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | trans | 63.1 | 155.5 | 139.9 | -78 | 4.9 | 0 | 0 | 0 | 120.5 | | |
| 956 | S | 29.7 | Very low | 31.9 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 50% | 0.503 | 73% | 0.73 | S | S | . | * | | | cis | 175.3 | 167.6 | -18.9 | 55.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 957 | N | 34.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | 72.1 | 123.4 | 160.4 | -55 | -22.4 | 0 | 0 | 0 | 115.4 | | |
| 958 | N | 27.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | | 79.4 | 158.8 | 54.2 | -168.5 | 24.3 | 0 | 0 | 0 | 112.3 | | |
| 959 | I | 32.9 | Very low | 32 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 65% | 0.646 | 72% | 0.722 | S | S | * | * | | | trans | 99.2 | 97.7 | 165.7 | -56.4 | 171.2 | 0 | 0 | 0 | 117.7 | | |
| 960 | H | 29.3 | Very low | 31.8 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | | | trans | 59.1 | 175.1 | 131.6 | -73.9 | -98.2 | 0 | 0 | 0 | 122.9 | | |
| 961 | S | 34.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | 88.1 | 90.1 | 178.9 | -36.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 962 | E | 27.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 119 Ų | 119 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | | | cis | 65.1 | 139.2 | 40.2 | -157.7 | -176.2 | -170.1 | 0 | 0 | 113.7 | | |
| 963 | A | 31.2 | Very low | 31.8 | Very low | 86 Ų | 86 | 116.4 Ų | 116.4 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 69.4 | 151.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 964 | T | 29.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | cis | -167.5 | 178.2 | -19.6 | -92.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 965 | L | 32.1 | Very low | 31.1 | Very low | 158 Ų | 158 | 116.9 Ų | 116.9 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | 86.3 | 131.9 | 175.2 | -48.4 | 172.7 | 0 | 0 | 0 | 113.5 | | |
| 966 | V | 34.7 | Very low | 31 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -153 | 125.6 | -6.7 | 103.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 967 | T | 30.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | | 58.9 | 127.3 | 107.7 | -52.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 968 | A | 33 | Very low | 31.1 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | cis | -131.8 | 162 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 969 | A | 31.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 116.6 Ų | 116.6 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | | | | 54.8 | 135.8 | 74.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 970 | A | 30.2 | Very low | 31.6 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | | | cis | -166.9 | 177.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 971 | A | 33.2 | Very low | 31.6 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | | | trans | 61.9 | 133.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | P973 | A971-P973 WeakPolarHBondContact O-CD 3.08Š|
| 972 | A | 32.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | | | trans | -77.1 | 134.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 973 | P | 31.1 | Very low | 31.6 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -116.4 | 133.8 | 143.1 | -4.8 | 25.5 | 0 | 0 | 0 | 112.1 | A971 | A971-P973 WeakPolarHBondContact O-CD 3.08Š|
| 974 | T | 27.6 | Very low | 31.6 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | 1.2 | 134.2 | 138.6 | 53.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 975 | A | 27.6 | Very low | 31.6 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | | | trans | 76 | 146.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 976 | V | 30.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 112.4 Ų | 112.4 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | | | trans | 63.5 | 114.3 | 147.6 | 170.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 977 | D | 31.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 113 Ų | 113 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | | | cis | -165.2 | 172.7 | 44.3 | -132.1 | -15.8 | 0 | 0 | 0 | 114.7 | | |
| 978 | L | 34.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | | | trans | 39.7 | 109.7 | 151.4 | -61 | 159.9 | 0 | 0 | 0 | 119.8 | | |
| 979 | I | 34.1 | Very low | 31.4 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | | | | 65.2 | 116.6 | 71.3 | -65.8 | 179.4 | 0 | 0 | 0 | 112.4 | N981 | I979-N981 HydrophobicContact CG2-CB 3.67Å; I979-N981 VanDerWaalsContact CG2-ND2 3.27Å; I979-N981 WeakPolarHBondContact CG2-ND2 3.02Å; I979-N981 WeakPolarHBondContact CG2-OD1 3.34Å |
| 980 | P | 36.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | | | | -95.3 | 139.6 | 75.7 | -19.8 | 35.2 | 0 | 0 | 0 | 114.4 | | |
| 981 | N | 29.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 52% | 0.524 | 72% | 0.715 | S | S | . | * | | | cis | 61.1 | 122.6 | 46.2 | -76.8 | -6.3 | 0 | 0 | 0 | 112.2 | I979 | I979-N981 HydrophobicContact CG2-CB 3.67Å; I979-N981 VanDerWaalsContact CG2-ND2 3.27Å; I979-N981 WeakPolarHBondContact CG2-ND2 3.02Å; I979-N981 WeakPolarHBondContact CG2-OD1 3.34Å |
| 982 | H | 32.2 | Very low | 31.2 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 70% | 0.704 | 72% | 0.717 | S | S | * | * | | | cis | -150.8 | 162.5 | 1.4 | -77.1 | -63.4 | 0 | 0 | 0 | 106.9 | | |
| 983 | T | 31.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | cis | -157.6 | 146.8 | 5.7 | -3.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 984 | S | 30.5 | Very low | 31 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 24 | 144.2 | 137.2 | 65.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 985 | S | 30 | Very low | 31 | Very low | 85 Ų | 85 | 125 Ų | 125 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | | | cis | 167.6 | 170.5 | 1.1 | 52.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 986 | F | 33.1 | Very low | 31.1 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | | | cis | -134.3 | 139.1 | -0.9 | -83.1 | -72.3 | 0 | 0 | 0 | 105.6 | | |
| 987 | D | 29 | Very low | 31 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | | | | 52.3 | 129.4 | 90 | -54.4 | -39.1 | 0 | 0 | 0 | 113.8 | | |
| 988 | N | 30.3 | Very low | 30.7 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | | | cis | -154.6 | 165.2 | 40.6 | -95.5 | -61.7 | 0 | 0 | 0 | 116.5 | | |
| 989 | S | 32.9 | Very low | 30.3 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | | | trans | -9.9 | 161.4 | 151.3 | 60.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 990 | S | 33.4 | Very low | 29.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | cis | -168.9 | 172.8 | 5 | 31.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 991 | E | 30.5 | Very low | 29.3 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | | | trans | -70.8 | 158.8 | 169.8 | -55.1 | 162.8 | 104.8 | 0 | 0 | 114.1 | | |
| 992 | S | 27.4 | Very low | 29.1 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | | 142.3 | 112 | 118 | 64.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 993 | T | 31.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | 36.1 | 123.3 | 140.7 | 56 | 0 | 0 | 0 | 0 | 124 | | |
| 994 | L | 28.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | | | trans | 80.9 | 134.1 | 132.5 | -74.6 | 169.2 | 0 | 0 | 0 | 122.2 | | |
| 995 | L | 27.5 | Very low | 28.1 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | 78.4 | 142.8 | 157.6 | -73.8 | 164.7 | 0 | 0 | 0 | 119.9 | | |
| 996 | N | 28.1 | Very low | 27.9 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | trans | 76.1 | 126.3 | 161.3 | -62.7 | -30.1 | 0 | 0 | 0 | 120.7 | | |
| 997 | H | 28.2 | Very low | 27.6 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | | | trans | -8.7 | 133.5 | 149.4 | -69.1 | -24.3 | 0 | 0 | 0 | 119.7 | | |
| 998 | H | 25.9 | Very low | 27.6 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | 72.6 | 143.7 | 132.3 | -86.6 | 2.2 | 0 | 0 | 0 | 120.2 | | |
| 999 | Q | 25.2 | Very low | 27.5 | Very low | 91 Ų | 91 | 129 Ų | 129 | 43% | 0.425 | 72% | 0.722 | S | S | . | * | | | trans | 73.4 | 117.7 | 140.2 | -76.2 | 158.4 | -25.9 | 0 | 0 | 118.9 | N167 E168 | N167-Q999 PolarHBondContact O-NE2 3.35Å; E168-Q999 VanDerWaalsContact C-NE2 3.26Å; E168-Q999 PolarHBondContact O-NE2 2.98Å |
| 1000 | Q | 25.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 131 Ų | 131 | 50% | 0.495 | 73% | 0.725 | S | S | . | * | | | | 88.8 | 128.4 | 125.6 | -71.7 | 172.3 | -3.5 | 0 | 0 | 120.5 | I166 N167 | I166-Q1000 PolarHBondContact O-OE1 2.94Å; N167-Q1000 PolarHBondContact O-NE2 3.06Å |
| 1001 | Y | 25.5 | Very low | 27.5 | Very low | 207 Ų | 207 | 131.6 Ų | 131.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | trans | 72.6 | 100.9 | 135.8 | -78.9 | -124.2 | 0 | 0 | 0 | 119.2 | | |
| 1002 | A | 24.3 | Very low | 27.6 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | | | | 61.1 | 85.3 | 112.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1003 | S | 24.1 | Very low | 27.7 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | trans | -161.3 | 137.3 | 141.7 | -82.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1004 | I | 24.2 | Very low | 27.7 | Very low | 144 Ų | 144 | 131 Ų | 131 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | S | Bend | cis | -157.4 | 145.3 | 6.9 | -119.3 | 159.9 | 0 | 0 | 0 | 108.7 | | |
| 1005 | V | 25.8 | Very low | 27.8 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | | | trans | 64.9 | 129 | 164.1 | 164.7 | 0 | 0 | 0 | 0 | 117 | | |
| 1006 | S | 25.1 | Very low | 28.2 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 53% | 0.531 | 69% | 0.685 | S | S | . | * | | | cis | -169.7 | 152.5 | -7.7 | -103.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1007 | M | 28.1 | Very low | 28.3 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 84% | 0.837 | 68% | 0.684 | S | S | * | * | | | trans | 69.3 | 138.5 | 166.4 | -37.4 | -39.5 | 177.7 | 0 | 0 | 115.3 | | |
| 1008 | S | 28.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | | | cis | -160.2 | 154.4 | -2.9 | -151.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1009 | S | 27.6 | Very low | 28.5 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | | | trans | 26.6 | 134.3 | 141.7 | 55.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1010 | D | 32.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | | | cis | -173.3 | 160.6 | 19.4 | -118.6 | -17.7 | 0 | 0 | 0 | 116 | | |
| 1011 | L | 34.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | | | trans | 68.1 | 118 | 145.2 | -66.2 | 163.2 | 0 | 0 | 0 | 123.5 | | |
| 1012 | N | 31.9 | Very low | 28.9 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | | | trans | 70.6 | 144.5 | 136.6 | -62.5 | -20 | 0 | 0 | 0 | 118.9 | | |
| 1013 | S | 30.7 | Very low | 29.1 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | | | cis | 167.8 | 159.9 | 0.9 | -89.9 | 0 | 0 | 0 | 0 | 104.4 | | |
| 1014 | F | 31 | Very low | 29.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 75% | 0.746 | 71% | 0.707 | S | S | * | * | | | cis | -163.5 | 144.2 | 9.2 | -134.4 | -140.9 | 0 | 0 | 0 | 107.9 | | |
| 1015 | N | 31.4 | Very low | 29.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 54% | 0.535 | 71% | 0.708 | S | S | . | * | | | | 46.6 | 147.1 | 124.7 | -70.9 | -26.9 | 0 | 0 | 0 | 121.7 | | |
| 1016 | H | 34.6 | Very low | 29.1 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 60% | 0.602 | 70% | 0.703 | S | S | * | * | | | cis | -176 | 167.2 | 17.9 | -124.8 | -8.5 | 0 | 0 | 0 | 114.8 | | |
| 1017 | Y | 31.2 | Very low | 29.2 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | 58.3 | 128.6 | 161.9 | -70.7 | -77 | 0 | 0 | 0 | 119.4 | | |
| 1018 | C | 27.6 | Very low | 29 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | | | | 66.7 | 148.1 | 53.6 | -111.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1019 | S | 30.1 | Very low | 29 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | cis | -157.1 | -179.6 | 8.9 | -153.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1020 | H | 28.9 | Very low | 29 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | | | trans | -59.8 | 158.4 | 168.5 | -75 | -69.6 | 0 | 0 | 0 | 113.7 | | |
| 1021 | Q | 28.7 | Very low | 29 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | | 173.8 | 139.4 | 105.1 | -91.2 | -171.9 | 3 | 0 | 0 | 115.1 | | |
| 1022 | H | 26.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | | | trans | 39.8 | 162.1 | 142.8 | -76.9 | -78.2 | 0 | 0 | 0 | 124.8 | | |
| 1023 | H | 29.9 | Very low | 28.9 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | 71.6 | 154.7 | 159.2 | -65.8 | -40.5 | 0 | 0 | 0 | 116.2 | | |
| 1024 | Q | 25.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | cis | -173.9 | 169.1 | -31.2 | -122.5 | -178.2 | 11.7 | 0 | 0 | 105.2 | | |
| 1025 | R | 24.5 | Very low | 29 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | | | trans | 69.8 | 125.5 | 165.9 | -72.1 | -175.8 | 127.2 | 147 | 0.7 | 115 | | |
| 1026 | Q | 24 | Very low | 29 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | | 70.3 | 144.1 | 76.8 | -67.7 | -179.1 | -43.7 | 0 | 0 | 113.5 | | |
| 1027 | Q | 27.5 | Very low | 28.7 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | | | trans | 72.9 | 144.3 | 178.2 | -53.9 | -173.5 | 11.7 | 0 | 0 | 113.5 | | |
| 1028 | H | 23.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | cis | 174.2 | 178.1 | -23.3 | -127.4 | -116.6 | 0 | 0 | 0 | 103.6 | | |
| 1029 | F | 28.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 68.5 | 105.2 | 179.1 | -53.8 | -78.8 | 0 | 0 | 0 | 114.1 | | |
| 1030 | S | 26.8 | Very low | 28.6 | Very low | 90 Ų | 90 | 145.3 Ų | 145.3 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | cis | 78.2 | 115.9 | 25.3 | 97.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1031 | V | 31.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 159.3 | 105.5 | 143.8 | 155.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 1032 | F | 29.9 | Very low | 28.5 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | | | | 65 | 152.3 | 70.1 | -80.6 | -73.2 | 0 | 0 | 0 | 113.7 | | |
| 1033 | P | 34.4 | Very low | 28.6 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | | | cis | -122.9 | -175.3 | -7.9 | 41.6 | -26.6 | 0 | 0 | 0 | 111.9 | | |
| 1034 | S | 32.2 | Very low | 28.4 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | cis | -162.3 | 148.9 | -13.8 | 33.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1035 | S | 31.4 | Very low | 28.5 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | | | | 65.2 | 153.1 | 51.5 | -46.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1036 | P | 33 | Very low | 28.7 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | cis | -109.3 | 160.4 | 1.8 | 12.4 | 12.6 | 0 | 0 | 0 | 113 | | |
| 1037 | L | 26.8 | Very low | 28.8 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | | | | 87.6 | 140.6 | 52.6 | -92.7 | 78.8 | 0 | 0 | 0 | 116.8 | | |
| 1038 | F | 32.4 | Very low | 28.8 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -66.6 | 164.5 | -179.5 | -57.5 | -95.3 | 0 | 0 | 0 | 114.4 | | |
| 1039 | P | 31.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | | -117.4 | 163 | 95.8 | 0.4 | 21.6 | 0 | 0 | 0 | 112 | | |
| 1040 | N | 24.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | | 61.7 | 141.1 | 54 | -64.2 | 64.2 | 0 | 0 | 0 | 112.3 | | |
| 1041 | D | 27.3 | Very low | 29 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | | | cis | -157.3 | -170.1 | -9.5 | -97.2 | -31.5 | 0 | 0 | 0 | 107.3 | | |
| 1042 | E | 28.4 | Very low | 28.7 | Very low | 193 Ų | 193 | 129.2 Ų | 129.2 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | | | trans | 60.3 | 102.2 | 162.1 | -46.6 | -163.3 | 160.1 | 0 | 0 | 117.1 | | |
| 1043 | G | 28.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | | | | 101.5 | 166.7 | 99.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1044 | S | 25.1 | Very low | 28.4 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | cis | -155 | 172.2 | -9.8 | -150.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1045 | I | 26.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -32.7 | 132.4 | 157 | 40.1 | 166.9 | 0 | 0 | 0 | 111.9 | | |
| 1046 | T | 28.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | | | | 175.6 | 155.4 | 85.1 | 46.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1047 | T | 26.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -173.2 | 175.2 | 0.8 | 22.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1048 | L | 27.9 | Very low | 28.6 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 42.9 | 113.2 | 142.6 | -61.1 | 160.4 | 0 | 0 | 0 | 118.4 | | |
| 1049 | S | 24.7 | Very low | 28.6 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | | | | 68.8 | 151.3 | 66.8 | 79.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1050 | E | 28.8 | Very low | 28.6 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | trans | 73.2 | 149.2 | 174.6 | -54.3 | -166.8 | 125 | 0 | 0 | 115.2 | | |
| 1051 | V | 29.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 133 Ų | 133 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | cis | -153.5 | 155.1 | -9.8 | 112.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1052 | L | 26 | Very low | 29 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -14.4 | 129.5 | 160.3 | -51.3 | 161.7 | 0 | 0 | 0 | 118.3 | | |
| 1053 | K | 30.2 | Very low | 29 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | trans | 160.7 | 153.8 | 132.4 | -89.2 | 151 | -166.6 | 168.5 | 0 | 109.6 | | |
| 1054 | S | 26.5 | Very low | 28.9 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | cis | 154.4 | 150.2 | -11 | -90.2 | 0 | 0 | 0 | 0 | 104 | | |
| 1055 | D | 29.6 | Very low | 29.1 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | trans | 70.5 | 142.7 | 167.6 | -43.4 | -26.5 | 0 | 0 | 0 | 114.7 | | |
| 1056 | S | 34.5 | Very low | 29.2 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | | | cis | -158.6 | 140.5 | -2 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1057 | D | 32.2 | Very low | 29 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | | | trans | 57.2 | 125.9 | 133.4 | -46.8 | -16.2 | 0 | 0 | 0 | 123.3 | | |
| 1058 | D | 31.3 | Very low | 29.1 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 49.8 | 107.5 | 133.7 | -60.6 | -9.5 | 0 | 0 | 0 | 122 | | |
| 1059 | N | 32 | Very low | 29 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | | -154.9 | 161 | 108.3 | -135.9 | -35.7 | 0 | 0 | 0 | 113.6 | | |
| 1060 | V | 31.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 136 Ų | 136 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | trans | -85.6 | 139.6 | -175.7 | -72.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1061 | N | 29.8 | Very low | 29.1 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | | 177.8 | 158.3 | 121.2 | -90.1 | -7.6 | 0 | 0 | 0 | 114.3 | | |
| 1062 | D | 30.4 | Very low | 28.9 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 60.9 | 89.3 | 156 | -61.3 | -43.1 | 0 | 0 | 0 | 123 | | |
| 1063 | V | 28.1 | Very low | 29 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | | 42.1 | 100.5 | 122.7 | -171.9 | 0 | 0 | 0 | 0 | 119 | | |
| 1064 | S | 26.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | | 176.3 | 148.7 | 123.1 | -82.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1065 | N | 29.2 | Very low | 28.8 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | 61.6 | 146.5 | 161.8 | -59.1 | -30.7 | 0 | 0 | 0 | 119.1 | | |
| 1066 | G | 28.1 | Very low | 28.7 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 143.2 | 101.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1067 | F | 26.3 | Very low | 28.4 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | | | trans | -56.3 | 152 | -178.8 | -78.3 | -105.7 | 0 | 0 | 0 | 117.2 | | |
| 1068 | A | 27.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 117.8 | 144.6 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1069 | N | 27 | Very low | 28.3 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 80 | 143.2 | 156 | -76 | -31.1 | 0 | 0 | 0 | 123.1 | | |
| 1070 | L | 27.2 | Very low | 28.5 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | 66.3 | 132.2 | 169.8 | -87.7 | 67.4 | 0 | 0 | 0 | 119.3 | L885 | L885-L1070 HydrophobicContact CD2-CD2 3.68Å; L885-L1070 HydrophobicContact CG-CD2 4.41Å |
| 1071 | G | 27.6 | Very low | 28.6 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | 146.2 | 52.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | T1073 | G1071-T1073 PolarHBondContact O-N 2.79Š|
| 1072 | T | 26 | Very low | 28.8 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | -78.5 | 118.1 | -174.8 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1073 | T | 26.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -147.1 | 122.3 | 150.9 | 30.3 | 0 | 0 | 0 | 0 | 111.5 | G1071 | G1071-T1073 PolarHBondContact O-N 2.79Š|
| 1074 | E | 25.3 | Very low | 29.8 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | | | trans | 21.5 | 96 | 152.1 | -62 | 176 | 171.7 | 0 | 0 | 118.1 | | |
| 1075 | T | 27.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | | | trans | -121.6 | 120.9 | 149 | 28.8 | 0 | 0 | 0 | 0 | 107.6 | H1077 | T1075-H1077 PolarHBondContact O-N 3.16Š|
| 1076 | D | 27.3 | Very low | 31.5 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | | | trans | -65.6 | 101.4 | -174.1 | -81.6 | -36.1 | 0 | 0 | 0 | 111 | V1078 | D1076-V1078 PolarHBondContact O-N 3.41Š|
| 1077 | H | 29 | Very low | 32.4 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | | | trans | -68.3 | 100.5 | 169.4 | -150.1 | -77.5 | 0 | 0 | 0 | 107.4 | T1075 D1079 | T1075-H1077 PolarHBondContact O-N 3.16Å; H1077-D1079 PolarHBondContact O-N 3.28Å |
| 1078 | V | 33 | Very low | 33.5 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 58% | 0.582 | 66% | 0.658 | S | S | * | * | | | trans | -69.5 | 95.1 | -177.6 | -179 | 0 | 0 | 0 | 0 | 109 | D1076 L1080 | D1076-V1078 PolarHBondContact O-N 3.41Å; V1078-L1080 PolarHBondContact O-N 3.26Å |
| 1079 | D | 28.3 | Very low | 34.3 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | | | trans | -59.9 | 106.8 | 172.6 | -101.4 | -24.3 | 0 | 0 | 0 | 109.6 | H1077 T1081 | H1077-D1079 PolarHBondContact O-N 3.28Å; D1079-T1081 HydrophobicContact CB-CG2 4.15Å; D1079-T1081 PolarHBondContact O-N 2.91Å |
| 1080 | L | 36.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | | | trans | -82.5 | 37.8 | 179.4 | -73.9 | 162 | 0 | 0 | 0 | 111.5 | V1078 D1082 L1092 | V1078-L1080 PolarHBondContact O-N 3.26Å; L1080-D1082 VanDerWaalsContact C-N 3.33Å; L1080-D1082 PolarHBondContact O-N 3.23Å; L1080-L1092 HydrophobicContact CD2-CD1 4.33Å |
| 1081 | T | 33.7 | Very low | 37.2 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | | | trans | -78.2 | -14.5 | -174.1 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | D1079 | D1079-T1081 HydrophobicContact CB-CG2 4.15Å; D1079-T1081 PolarHBondContact O-N 2.91Å |
| 1082 | D | 33.8 | Very low | 38.6 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -88.9 | 104.1 | 176 | -92.4 | -36.4 | 0 | 0 | 0 | 112.5 | L1080 R1084 | L1080-D1082 VanDerWaalsContact C-N 3.33Å; L1080-D1082 PolarHBondContact O-N 3.23Å; D1082-R1084 VanDerWaalsContact C-N 3.29Å; D1082-R1084 VanDerWaalsContact O-CG 3.31Å; D1082-R1084 WeakPolarHBondContact O-CG 3.35Å; D1082-R1084 PolarHBondContact O-N 3.37Å |
| 1083 | N | 39.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 105.8 Ų | 105.8 | 84% | 0.84 | 56% | 0.563 | S | S | * | * | | | trans | 15 | 51.7 | 144.4 | -56.6 | -81.8 | 0 | 0 | 0 | 119.1 | N1085 | N1083-N1085 PolarHBondContact O-N 3.01Å; N1083-N1085 VanDerWaalsContact O-N 3.13Å |
| 1084 | R | 39.5 | Very low | 42 | Very low | 132 Ų | 132 | 102.8 Ų | 102.8 | 50% | 0.498 | 55% | 0.546 | S | S | . | . | | | trans | -80.7 | 99.6 | -174.2 | -89.3 | 168 | -162.3 | -145 | 7.4 | 112.1 | D1082 | D1082-R1084 VanDerWaalsContact C-N 3.29Å; D1082-R1084 VanDerWaalsContact O-CG 3.31Å; D1082-R1084 WeakPolarHBondContact O-CG 3.35Å; D1082-R1084 PolarHBondContact O-N 3.37Å |
| 1085 | N | 44.5 | Very low | 43.8 | Very low | 95 Ų | 95 | 99.4 Ų | 99.4 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | | | trans | -38.6 | 143.2 | 160.7 | 177.7 | -48.3 | 0 | 0 | 0 | 111.1 | N1083 L1087 S1088 | N1083-N1085 PolarHBondContact O-N 3.01Å; N1083-N1085 VanDerWaalsContact O-N 3.13Å; N1085-L1087 PolarHBondContact O-N 3.49Å; N1085-L1087 PolarHBondContact OD1-N 2.69Å; N1085-L1087 VanDerWaalsContact OD1-N 3.07Å; N1085-S1088 WeakPolarHBondContact O-CA 3.3Å; N1085-S1088 WeakPolarHBondContact O-CB 3.45Å; N1085-S1088 PolarHBondContact O-N 3.35Å |
| 1086 | L | 47.5 | Very low | 45.2 | Very low | 16 Ų | 16 | 98.1 Ų | 98.1 | 8% | 0.084 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -47.6 | -30.7 | -176.6 | -162.3 | 148.2 | 0 | 0 | 0 | 114.8 | E824 F827 Q828 F847 S1088 A1089 L1090 | E824-L1086 HydrophobicContact CG-CD1 4.28Å; F827-L1086 HydrophobicContact CD1-CD1 3.52Å; F827-L1086 HydrophobicContact CD1-CD2 4.33Å; F827-L1086 HydrophobicContact CE1-CD1 3.62Å; F827-L1086 HydrophobicContact CE1-CD2 3.67Å; F827-L1086 HydrophobicContact CE1-CG 4.29Å; F827-L1086 HydrophobicContact CZ-CD2 4.35Å; Q828-L1086 VanDerWaalsContact OE1-CD1 3.26Å; F847-L1086 HydrophobicContact CE1-CG 4.46Å; L1086-S1088 VanDerWaalsContact C-N 3.26Å; L1086-S1088 PolarHBondContact O-N 3.29Å; L1086-A1089 WeakPolarHBondContact O-CB 3.24Å; L1086-A1089 PolarHBondContact O-N 3.16Å; L1086-A1089 VanDerWaalsContact O-N 3.07Å; L1086-L1090 HydrophobicContact CD2-CD1 3.84Å; L1086-L1090 HydrophobicContact CD2-CG 4.04Å; L1086-L1090 PolarHBondContact O-N 2.99Å |
| 1087 | L | 48.6 | Very low | 46.8 | Very low | 123 Ų | 123 | 93 Ų | 93 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53.9 | -41.3 | 171.3 | -125.7 | 71.2 | 0 | 0 | 0 | 113.1 | N1085 A1089 L1090 D1091 | N1085-L1087 PolarHBondContact O-N 3.49Å; N1085-L1087 PolarHBondContact OD1-N 2.69Å; N1085-L1087 VanDerWaalsContact OD1-N 3.07Å; L1087-A1089 VanDerWaalsContact C-N 3.34Å; L1087-L1090 PolarHBondContact O-N 3.42Å; L1087-D1091 PolarHBondContact O-N 3.44Å |
| 1088 | S | 47.4 | Very low | 48.4 | Very low | 40 Ų | 40 | 87.5 Ų | 87.5 | 28% | 0.28 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -79.6 | -12.9 | 178.7 | -60.9 | 0 | 0 | 0 | 0 | 114 | N1085 L1086 L1092 | N1085-S1088 WeakPolarHBondContact O-CA 3.3Å; N1085-S1088 WeakPolarHBondContact O-CB 3.45Å; N1085-S1088 PolarHBondContact O-N 3.35Å; L1086-S1088 VanDerWaalsContact C-N 3.26Å; L1086-S1088 PolarHBondContact O-N 3.29Å; S1088-L1092 WeakPolarHBondContact O-CD1 3.3Å; S1088-L1092 WeakPolarHBondContact O-CG 3.41Å |
| 1089 | A | 45.3 | Very low | 49.9 | Very low | 14 Ų | 14 | 87 Ų | 87 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -81.5 | -34.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F847 L1086 L1087 L1092 | F847-A1089 HydrophobicContact CD1-CB 4.37Å; F847-A1089 HydrophobicContact CE1-CB 3.68Å; F847-A1089 HydrophobicContact CZ-CB 4.36Å; L1086-A1089 WeakPolarHBondContact O-CB 3.24Å; L1086-A1089 PolarHBondContact O-N 3.16Å; L1086-A1089 VanDerWaalsContact O-N 3.07Å; L1087-A1089 VanDerWaalsContact C-N 3.34Å; A1089-L1092 PolarHBondContact O-N 3.19Å |
| 1090 | L | 55.8 | Low | 51.5 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 171.3 | -64.5 | 173.4 | 0 | 0 | 0 | 112.2 | F831 L1086 L1087 L1092 I1093 | F831-L1090 HydrophobicContact CE1-CD2 4.4Å; F831-L1090 HydrophobicContact CZ-CD2 4.5Å; L1086-L1090 HydrophobicContact CD2-CD1 3.84Å; L1086-L1090 HydrophobicContact CD2-CG 4.04Å; L1086-L1090 PolarHBondContact O-N 2.99Å; L1087-L1090 PolarHBondContact O-N 3.42Å; L1090-L1092 PolarHBondContact O-N 3.23Å; L1090-I1093 HydrophobicContact CD2-CD1 3.9Å; L1090-I1093 PolarHBondContact O-N 2.94Å |
| 1091 | D | 58.8 | Low | 52.4 | Low | 139 Ų | 139 | 86.2 Ų | 86.2 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.5 | 171.2 | -81.5 | -27.5 | 0 | 0 | 0 | 113.9 | L1087 | L1087-D1091 PolarHBondContact O-N 3.44Š|
| 1092 | L | 56.7 | Low | 53.4 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 47% | 0.471 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -6.3 | 176.3 | -73.3 | 169.9 | 0 | 0 | 0 | 113.5 | L1080 S1088 A1089 L1090 P1094 | L1080-L1092 HydrophobicContact CD2-CD1 4.33Å; S1088-L1092 WeakPolarHBondContact O-CD1 3.3Å; S1088-L1092 WeakPolarHBondContact O-CG 3.41Å; A1089-L1092 PolarHBondContact O-N 3.19Å; L1090-L1092 PolarHBondContact O-N 3.23Å; L1092-P1094 WeakPolarHBondContact O-CD 3.41Å |
| 1093 | I | 61.2 | Low | 54.3 | Low | 35 Ų | 35 | 87 Ų | 87 | 18% | 0.179 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -76.3 | 123.5 | 174.1 | -58.3 | 178 | 0 | 0 | 0 | 108.4 | L1090 I1097 L1098 | L1090-I1093 HydrophobicContact CD2-CD1 3.9Å; L1090-I1093 PolarHBondContact O-N 2.94Å; I1093-I1097 HydrophobicContact CG2-CB 4.28Å; I1093-I1097 HydrophobicContact CG2-CG2 4.16Å; I1093-L1098 HydrophobicContact CB-CD1 4.32Å; I1093-L1098 HydrophobicContact CD1-CD1 4.41Å; I1093-L1098 HydrophobicContact CG2-CB 4.1Å; I1093-L1098 HydrophobicContact CG2-CD1 4.06Å |
| 1094 | P | 63.4 | Low | 54.5 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | | | trans | -54.7 | 137.8 | 176.1 | -29.1 | 38 | 0 | 0 | 0 | 112.9 | L1092 D1096 I1097 L1098 | L1092-P1094 WeakPolarHBondContact O-CD 3.41Å; P1094-D1096 WeakPolarHBondContact CB-OD1 3.35Å; P1094-D1096 PolarHBondContact O-N 2.79Å; P1094-D1096 VanDerWaalsContact O-N 3.14Å; P1094-I1097 HydrophobicContact CB-CB 4.47Å; P1094-I1097 HydrophobicContact CB-CD1 4.32Å; P1094-I1097 HydrophobicContact CB-CG1 4.29Å; P1094-I1097 HydrophobicContact CG-CD1 4.08Å; P1094-I1097 PolarHBondContact O-N 3.39Å; P1094-I1097 VanDerWaalsContact O-N 3.09Å; P1094-L1098 WeakPolarHBondContact O-CB 3.23Å; P1094-L1098 PolarHBondContact O-N 2.94Å |
| 1095 | D | 62 | Low | 54.6 | Low | 120 Ų | 120 | 86.8 Ų | 86.8 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.7 | -34.4 | -176.3 | -90.2 | -37.9 | 0 | 0 | 0 | 112.2 | I1099 | D1095-I1099 WeakPolarHBondContact O-CB 3.2Å; D1095-I1099 VanDerWaalsContact O-CD1 3.31Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.42Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; D1095-I1099 PolarHBondContact O-N 3.05Å |
| 1096 | D | 57.6 | Low | 54.2 | Low | 109 Ų | 109 | 91.3 Ų | 91.3 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.5 | -45 | 177.3 | 58 | -32.1 | 0 | 0 | 0 | 112.8 | P1094 I1099 E1100 | P1094-D1096 WeakPolarHBondContact CB-OD1 3.35Å; P1094-D1096 PolarHBondContact O-N 2.79Å; P1094-D1096 VanDerWaalsContact O-N 3.14Å; D1096-I1099 PolarHBondContact O-N 3.29Å; D1096-E1100 WeakPolarHBondContact O-CB 3.23Å; D1096-E1100 PolarHBondContact O-N 3.29Å |
| 1097 | I | 62.5 | Low | 53.2 | Low | 50 Ų | 50 | 94.6 Ų | 94.6 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 173.5 | -61.7 | -179.9 | 0 | 0 | 0 | 110.4 | L839 I1093 P1094 I1099 E1100 L1101 | L839-I1097 HydrophobicContact CD2-CG2 4.25Å; I1093-I1097 HydrophobicContact CG2-CB 4.28Å; I1093-I1097 HydrophobicContact CG2-CG2 4.16Å; P1094-I1097 HydrophobicContact CB-CB 4.47Å; P1094-I1097 HydrophobicContact CB-CD1 4.32Å; P1094-I1097 HydrophobicContact CB-CG1 4.29Å; P1094-I1097 HydrophobicContact CG-CD1 4.08Å; P1094-I1097 PolarHBondContact O-N 3.39Å; P1094-I1097 VanDerWaalsContact O-N 3.09Å; I1097-I1099 VanDerWaalsContact C-N 3.33Å; I1097-I1099 PolarHBondContact O-N 3.27Å; I1097-E1100 PolarHBondContact O-N 2.94Å; I1097-L1101 HydrophobicContact CG2-CD1 4.04Å; I1097-L1101 HydrophobicContact CG2-CG 4.45Å; I1097-L1101 WeakPolarHBondContact O-CG 3.17Å; I1097-L1101 PolarHBondContact O-N 2.74Å |
| 1098 | L | 62.3 | Low | 52.3 | Low | 63 Ų | 63 | 94 Ų | 94 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.5 | -164.3 | 81.1 | 0 | 0 | 0 | 110.8 | I1093 P1094 L1102 | I1093-L1098 HydrophobicContact CB-CD1 4.32Å; I1093-L1098 HydrophobicContact CD1-CD1 4.41Å; I1093-L1098 HydrophobicContact CG2-CB 4.1Å; I1093-L1098 HydrophobicContact CG2-CD1 4.06Å; P1094-L1098 WeakPolarHBondContact O-CB 3.23Å; P1094-L1098 PolarHBondContact O-N 2.94Å; L1098-L1102 HydrophobicContact CG-CD1 4.12Å; L1098-L1102 VanDerWaalsContact O-CB 3.32Å; L1098-L1102 WeakPolarHBondContact O-CB 3.31Å; L1098-L1102 WeakPolarHBondContact O-CD1 3.41Å; L1098-L1102 WeakPolarHBondContact O-CG 3.43Å; L1098-L1102 PolarHBondContact O-N 2.68Å; L1098-L1102 VanDerWaalsContact O-N 3.12Å |
| 1099 | I | 63.9 | Low | 51.7 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 175.3 | -75.8 | 166.2 | 0 | 0 | 0 | 111.5 | D1095 D1096 I1097 L1102 K1103 | D1095-I1099 WeakPolarHBondContact O-CB 3.2Å; D1095-I1099 VanDerWaalsContact O-CD1 3.31Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.42Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; D1095-I1099 PolarHBondContact O-N 3.05Å; D1096-I1099 PolarHBondContact O-N 3.29Å; I1097-I1099 VanDerWaalsContact C-N 3.33Å; I1097-I1099 PolarHBondContact O-N 3.27Å; I1099-L1102 CarbonylContact O-C 3Å; I1099-L1102 PolarHBondContact O-N 2.9Å; I1099-K1103 HydrophobicContact CG2-CD 4.12Å; I1099-K1103 HydrophobicContact CG2-CG 4.23Å; I1099-K1103 WeakPolarHBondContact O-CB 3.38Å; I1099-K1103 VanDerWaalsContact O-CG 3.23Å; I1099-K1103 WeakPolarHBondContact O-CG 3.4Å; I1099-K1103 PolarHBondContact O-N 2.82Å |
| 1100 | E | 61.3 | Low | 51 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -43 | 176.1 | -170.3 | 167.2 | -179.8 | 0 | 0 | 112.4 | D1096 I1097 L1102 K1103 | D1096-E1100 WeakPolarHBondContact O-CB 3.23Å; D1096-E1100 PolarHBondContact O-N 3.29Å; I1097-E1100 PolarHBondContact O-N 2.94Å; E1100-L1102 PolarHBondContact O-N 3.29Å; E1100-K1103 PolarHBondContact O-N 3.11Å |
| 1101 | L | 54.5 | Low | 49.8 | Very low | 54 Ų | 54 | 110.9 Ų | 110.9 | 28% | 0.283 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -18.8 | 172.4 | -67.8 | 170.6 | 0 | 0 | 0 | 113.4 | I1097 | I1097-L1101 HydrophobicContact CG2-CD1 4.04Å; I1097-L1101 HydrophobicContact CG2-CG 4.45Å; I1097-L1101 WeakPolarHBondContact O-CG 3.17Å; I1097-L1101 PolarHBondContact O-N 2.74Å |
| 1102 | L | 55.8 | Low | 48.3 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -104.4 | -5.1 | 177.9 | -68.2 | 172.1 | 0 | 0 | 0 | 114.2 | L1098 I1099 E1100 | L1098-L1102 HydrophobicContact CG-CD1 4.12Å; L1098-L1102 VanDerWaalsContact O-CB 3.32Å; L1098-L1102 WeakPolarHBondContact O-CB 3.31Å; L1098-L1102 WeakPolarHBondContact O-CD1 3.41Å; L1098-L1102 WeakPolarHBondContact O-CG 3.43Å; L1098-L1102 PolarHBondContact O-N 2.68Å; L1098-L1102 VanDerWaalsContact O-N 3.12Å; I1099-L1102 CarbonylContact O-C 3Å; I1099-L1102 PolarHBondContact O-N 2.9Å; E1100-L1102 PolarHBondContact O-N 3.29Å |
| 1103 | K | 53.7 | Low | 46.8 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | | | trans | -74.3 | 141.2 | -178.9 | -97.4 | 165.6 | -176 | 157 | 0 | 111.4 | I1099 E1100 D1105 | I1099-K1103 HydrophobicContact CG2-CD 4.12Å; I1099-K1103 HydrophobicContact CG2-CG 4.23Å; I1099-K1103 WeakPolarHBondContact O-CB 3.38Å; I1099-K1103 VanDerWaalsContact O-CG 3.23Å; I1099-K1103 WeakPolarHBondContact O-CG 3.4Å; I1099-K1103 PolarHBondContact O-N 2.82Å; E1100-K1103 PolarHBondContact O-N 3.11Å; K1103-D1105 VanDerWaalsContact C-N 3.35Å |
| 1104 | E | 43 | Very low | 45.4 | Very low | 142 Ų | 142 | 116.8 Ų | 116.8 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | | | trans | -96 | 13.3 | -171.1 | -165.8 | 148.7 | -153.2 | 0 | 0 | 112.9 | K815 R1106 | K815-E1104 IonicContact NZ-OE1 2.85Å; K815-E1104 PolarHBondContact NZ-OE1 3.39Å; K815-E1104 IonicContact NZ-OE2 3.16Å; K815-E1104 PolarHBondContact NZ-OE2 3.38Å; E1104-R1106 PolarHBondContact O-N 2.77Å |
| 1105 | D | 42 | Very low | 43.7 | Very low | 144 Ų | 144 | 119.2 Ų | 119.2 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | | | trans | -94.1 | 19 | -167.7 | -64 | -50.8 | 0 | 0 | 0 | 114.9 | K1103 A1107 | K1103-D1105 VanDerWaalsContact C-N 3.35Å; D1105-A1107 PolarHBondContact O-N 3.15Å |
| 1106 | R | 34 | Very low | 42.2 | Very low | 189 Ų | 189 | 118.3 Ų | 118.3 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -79.4 | 102.7 | 164.4 | -77.2 | -172.5 | 178.1 | 162.4 | 1.4 | 109.3 | H838 E1104 S1108 | H838-R1106 PolarHBondContact CE1-NH1 2.95Å; H838-R1106 PolarHBondContact CE1-NH2 2.83Å; H838-R1106 VanDerWaalsContact CE1-NH2 3.35Å; H838-R1106 PolarHBondContact NE2-NH1 3.02Å; H838-R1106 PolarHBondContact NE2-NH2 2.94Å; E1104-R1106 PolarHBondContact O-N 2.77Å; R1106-S1108 PolarHBondContact O-N 3.02Å |
| 1107 | A | 28.3 | Very low | 40.8 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | | | trans | -47.4 | 136.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1105 L1109 | D1105-A1107 PolarHBondContact O-N 3.15Å; A1107-L1109 PolarHBondContact O-N 3.23Å |
| 1108 | S | 28.6 | Very low | 39.3 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | | | trans | -63 | 96.9 | -169.3 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | R1106 W1110 | R1106-S1108 PolarHBondContact O-N 3.02Å; S1108-W1110 PolarHBondContact O-N 3.06Å |
| 1109 | L | 35.7 | Very low | 37.7 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 86% | 0.859 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -62.1 | -8.7 | 169 | -111.9 | 73.6 | 0 | 0 | 0 | 113.3 | A1107 | A1107-L1109 PolarHBondContact O-N 3.23Š|
| 1110 | W | 30.7 | Very low | 36.2 | Very low | 241 Ų | 241 | 130.3 Ų | 130.3 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | | | trans | -117.8 | 62.3 | 179.2 | -60.9 | 95 | 0 | 0 | 0 | 110.7 | S1108 | S1108-W1110 PolarHBondContact O-N 3.06Š|
| 1111 | G | 29 | Very low | 34.7 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | | | trans | -80.4 | 122.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1112 | D | 28.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | | | trans | -57.8 | 133.2 | 173.6 | -99.7 | -42.1 | 0 | 0 | 0 | 110.5 | V1114 | D1112-V1114 HydrophobicContact CB-CG2 4.27Å; D1112-V1114 PolarHBondContact O-N 3.41Å |
| 1113 | P | 25.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -78.9 | 62.8 | -173.6 | 33 | -37.1 | 0 | 0 | 0 | 112.6 | T1115 | P1113-T1115 PolarHBondContact O-N 3.27Å; P1113-T1115 VanDerWaalsContact O-N 3.13Å |
| 1114 | V | 31 | Very low | 31 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -84.8 | 82.9 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | D1112 S1116 | D1112-V1114 HydrophobicContact CB-CG2 4.27Å; D1112-V1114 PolarHBondContact O-N 3.41Å; V1114-S1116 PolarHBondContact O-N 3.18Å |
| 1115 | T | 27.1 | Very low | 30.4 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -72.6 | 115.1 | 173.9 | 42.1 | 0 | 0 | 0 | 0 | 111.8 | P1113 | P1113-T1115 PolarHBondContact O-N 3.27Å; P1113-T1115 VanDerWaalsContact O-N 3.13Å |
| 1116 | S | 29.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -148.2 | 60.1 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | V1114 | V1114-S1116 PolarHBondContact O-N 3.18Š|
| 1117 | I | 28.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 59% | 0.59 | 76% | 0.764 | S | S | * | * | | | | 44.2 | 85.4 | 95.3 | -51.3 | 179.9 | 0 | 0 | 0 | 111.1 | | |
| 1118 | N | 31.7 | Very low | 29.3 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -116.7 | 107.4 | 152.5 | -117.2 | -30.8 | 0 | 0 | 0 | 106.6 | | |
| 1119 | N | 28.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | -76.2 | 135.5 | -168.1 | -68.7 | -54.7 | 0 | 0 | 0 | 112.1 | | |
| 1120 | N | 32.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | -165.3 | 124.2 | 130.4 | -98.9 | -35.2 | 0 | 0 | 0 | 111.7 | | |
| 1121 | S | 29.5 | Very low | 28.4 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | 36.6 | 129.1 | 150.1 | 64.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1122 | R | 28.7 | Very low | 28.2 | Very low | 243 Ų | 243 | 135.2 Ų | 135.2 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | cis | -173.6 | 147.3 | 29.6 | -150.4 | 173.4 | -179.4 | 159.9 | -1.7 | 112.4 | | |
| 1123 | S | 31.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | 58.4 | 85.4 | 151.4 | -163 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1124 | S | 26.5 | Very low | 28.3 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | | 25.3 | 120.1 | 114.1 | -41.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1125 | R | 30.6 | Very low | 28 | Very low | 246 Ų | 246 | 137.5 Ų | 137.5 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | | | | -169.5 | 126.1 | 123.1 | -102.7 | 171 | -171.7 | -143.6 | -1 | 109.2 | | |
| 1126 | A | 28.9 | Very low | 28.1 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | | 66.2 | 95.7 | 94 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1127 | I | 26.5 | Very low | 27.9 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | | 84.3 | 132.7 | 62 | -65.6 | 162.3 | 0 | 0 | 0 | 111.8 | | |
| 1128 | N | 25.3 | Very low | 27.7 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | 72.3 | 122 | -178.5 | -63.2 | -12.7 | 0 | 0 | 0 | 114.2 | | |
| 1129 | S | 25.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | | 75.8 | 127.3 | 76.9 | -154.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1130 | V | 25.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | | -169 | 145.1 | 73.8 | 151.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1131 | L | 24.6 | Very low | 27.3 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | 26.8 | 166.4 | 149.7 | -61 | 166.9 | 0 | 0 | 0 | 124.2 | | |
| 1132 | S | 26.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | 83.1 | 114.5 | 152.5 | -57.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1133 | A | 27.7 | Very low | 27.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -90.2 | 153.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1134 | P | 28 | Very low | 26.9 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -102.3 | 122.6 | 141.2 | 32.6 | -24.8 | 0 | 0 | 0 | 108.1 | | |
| 1135 | Y | 24.1 | Very low | 26.9 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | | 57.7 | 125.7 | 73.1 | -100.1 | -82.6 | 0 | 0 | 0 | 114.8 | | |
| 1136 | E | 30.4 | Very low | 26.9 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -73.5 | 148.9 | -179.5 | -58.8 | 171.3 | 122.8 | 0 | 0 | 111.5 | | |
| 1137 | C | 25.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 133 Ų | 133 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | -152.7 | 81.2 | 155.6 | -141 | 0 | 0 | 0 | 0 | 112 | | |
| 1138 | N | 24.7 | Very low | 26.9 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 67.1 | 159.6 | 132.8 | -57.5 | -21.3 | 0 | 0 | 0 | 122.4 | | |
| 1139 | T | 27.6 | Very low | 27 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | | | trans | 65.9 | 103.3 | 156.6 | 43.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1140 | E | 27.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | | 60.2 | 107.5 | 123 | -64.4 | 167.6 | -143.2 | 0 | 0 | 119.9 | | |
| 1141 | S | 29.2 | Very low | 27.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | | 163.3 | 143.2 | 92.6 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1142 | P | 30.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | -83.5 | -174.3 | 178.2 | 36.1 | -37.3 | 0 | 0 | 0 | 113.1 | | |
| 1143 | C | 25.8 | Very low | 28 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | | | trans | 78.8 | 148.8 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1144 | S | 26.3 | Very low | 28.4 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | cis | -174.1 | 140.4 | -15.3 | 49.3 | 0 | 0 | 0 | 0 | 111 | | |
| 1145 | I | 25.4 | Very low | 28.7 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | | | trans | 57.7 | 136.1 | 148.3 | -49.9 | 155.8 | 0 | 0 | 0 | 118.2 | | |
| 1146 | V | 30.4 | Very low | 29.2 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | 149.8 | 115.4 | 133.3 | 165.7 | 0 | 0 | 0 | 0 | 109 | | |
| 1147 | D | 26 | Very low | 29.2 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | -65.4 | 137.7 | 162.8 | -50.9 | -95 | 0 | 0 | 0 | 110.2 | | |
| 1148 | N | 29.9 | Very low | 29.9 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | | -159.9 | 152.5 | 121.1 | -113.8 | -64.8 | 0 | 0 | 0 | 117.4 | | |
| 1149 | T | 28.2 | Very low | 30.3 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | | | trans | -46.2 | 160.6 | 177 | 57.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1150 | N | 28.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | | | trans | 80.6 | 117.8 | 144.5 | -69.7 | -27.9 | 0 | 0 | 0 | 121.6 | | |
| 1151 | N | 29.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | | 67.8 | 113 | 128.9 | -57.4 | -21.7 | 0 | 0 | 0 | 121 | | |
| 1152 | N | 31.2 | Very low | 31.1 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 62 | 117 | 130 | -58.3 | -9.3 | 0 | 0 | 0 | 120.5 | | |
| 1153 | N | 31.9 | Very low | 31.1 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | trans | 78.7 | 169.4 | 140.4 | -61.6 | -0.9 | 0 | 0 | 0 | 119.1 | | |
| 1154 | D | 36.6 | Very low | 31.3 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | | | trans | 66.7 | 99.5 | 173.5 | -51.6 | -21.5 | 0 | 0 | 0 | 115.8 | | |
| 1155 | H | 33.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | | | | 77.7 | 132.2 | 65 | -97.5 | 21.7 | 0 | 0 | 0 | 116 | | |
| 1156 | I | 34.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | 68.9 | 110.4 | 157 | -59.4 | 158.6 | 0 | 0 | 0 | 113.7 | | |
| 1157 | N | 31.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | cis | 69.6 | 91.1 | 49.2 | -172.6 | 89 | 0 | 0 | 0 | 114.5 | | |
| 1158 | D | 38.8 | Very low | 32.2 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | -131.5 | 132.1 | 162.7 | -96.3 | -43 | 0 | 0 | 0 | 110.8 | | |
| 1159 | N | 34.2 | Very low | 32.5 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -101.8 | 141.8 | 169.6 | -80.9 | -60.3 | 0 | 0 | 0 | 109 | | |
| 1160 | Y | 34.6 | Very low | 32.7 | Very low | 233 Ų | 233 | 145.2 Ų | 145.2 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | | | trans | -127.4 | 148.4 | 168 | -123 | -95.5 | 0 | 0 | 0 | 112.2 | | |
| 1161 | M | 31.2 | Very low | 33.1 | Very low | 158 Ų | 158 | 145 Ų | 145 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | | | trans | -127.1 | -159.9 | -165.4 | -64.4 | -146.2 | 86.1 | 0 | 0 | 111 | | |
| 1162 | P | 35.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 60% | 0.597 | 75% | 0.746 | S | S | * | * | | | | -142.9 | -169.8 | -84.6 | 47.8 | -31.5 | 0 | 0 | 0 | 115.7 | | |
| 1163 | I | 28.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | | | trans | 58.4 | 119.6 | 158.5 | -45.4 | 157.7 | 0 | 0 | 0 | 118.9 | | |
| 1164 | K | 30 | Very low | 33.5 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | | 175.7 | 134.6 | 113.2 | -97.5 | -162.1 | 175.2 | -170.1 | 0 | 116.8 | | |
| 1165 | C | 27.9 | Very low | 33.3 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | trans | 49.8 | 130.3 | 142.4 | -53.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1166 | V | 33.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | | | | -156.7 | 151.2 | 73.6 | 148.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1167 | E | 31.4 | Very low | 32.9 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -77 | 164.4 | 179.5 | -53.9 | 97.4 | 136 | 0 | 0 | 115.2 | | |
| 1168 | N | 35.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -164.8 | 99.8 | 138.1 | -97.4 | -46.2 | 0 | 0 | 0 | 111.1 | | |
| 1169 | N | 35.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | 53.1 | 112.7 | 153.2 | -53 | -3.3 | 0 | 0 | 0 | 118.2 | | |
| 1170 | E | 33.2 | Very low | 32.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 64.5 | 129.3 | 56.8 | -45.6 | -81.3 | 161.5 | 0 | 0 | 110.5 | | |
| 1171 | D | 36 | Very low | 32 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | | | | -162.5 | 137.8 | 71.1 | -101.8 | -2.3 | 0 | 0 | 0 | 113.1 | | |
| 1172 | Y | 34.9 | Very low | 32 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | 50.2 | 148.1 | 149.6 | -52.4 | -64.1 | 0 | 0 | 0 | 122.3 | | |
| 1173 | D | 36.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | cis | -148 | 152.1 | -3.2 | -133.9 | -22.2 | 0 | 0 | 0 | 116.1 | | |
| 1174 | V | 29.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | | | trans | -56.3 | 142.2 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 116.2 | Y1176 | V1174-Y1176 HydrophobicContact CG1-CD2 4.44Š|
| 1175 | N | 33.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | | -153.5 | 149 | 123.9 | -145.5 | -13.1 | 0 | 0 | 0 | 114.3 | | |
| 1176 | Y | 28.8 | Very low | 31.4 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -100.9 | 138.3 | -176.3 | -96.3 | -121.9 | 0 | 0 | 0 | 112.5 | V1174 | V1174-Y1176 HydrophobicContact CG1-CD2 4.44Š|
| 1177 | N | 31.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | | -172.5 | 160.3 | 109.7 | -106.1 | -21.6 | 0 | 0 | 0 | 112.5 | | |
| 1178 | P | 29.5 | Very low | 31.4 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | trans | -98.4 | 148.2 | -159.6 | 36.6 | -36.1 | 0 | 0 | 0 | 115.6 | | |
| 1179 | C | 29.1 | Very low | 31.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | -155.4 | 123.8 | 136.4 | -90.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1180 | D | 29.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 35.7 | 103.1 | 159.2 | -56.2 | -14.9 | 0 | 0 | 0 | 121.2 | | |
| 1181 | T | 31.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | 59.7 | 105.5 | 142.7 | 53.2 | 0 | 0 | 0 | 0 | 121 | | |
| 1182 | S | 30.6 | Very low | 30.2 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | 39.1 | 117.5 | 132.5 | 57.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1183 | S | 25.6 | Very low | 29.7 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | | 68.9 | 137.3 | 52.3 | 87.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1184 | I | 27.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | cis | -161.6 | 147 | -2.6 | -124.1 | 167.1 | 0 | 0 | 0 | 109.8 | | |
| 1185 | N | 27.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 61.8 | 153 | 159.5 | -68.3 | 23.5 | 0 | 0 | 0 | 123.1 | | |
| 1186 | D | 27.6 | Very low | 28.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | 68.2 | 46.8 | 153.8 | -56.8 | -6 | 0 | 0 | 0 | 119.8 | | |
| 1187 | S | 29.8 | Very low | 28.3 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -141.9 | 144.7 | 136.5 | -150.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1188 | I | 36.1 | Very low | 28 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | -68.7 | 132.1 | -175.2 | -72.2 | 169.7 | 0 | 0 | 0 | 110.8 | | |
| 1189 | D | 33.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | | | trans | 23.2 | 100.2 | 154 | -46.3 | -26.3 | 0 | 0 | 0 | 115.3 | | |
| 1190 | D | 26.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | | | | 60 | 145 | 52.3 | -140.7 | -5.5 | 0 | 0 | 0 | 114.8 | | |
| 1191 | W | 28.1 | Very low | 27.2 | Very low | 207 Ų | 207 | 125.3 Ų | 125.3 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | | | trans | 43.3 | 128.2 | 176.8 | -68.2 | -51.2 | 0 | 0 | 0 | 123.9 | D1193 | W1191-D1193 PolarHBondContact O-N 3.37Å; W1191-D1193 VanDerWaalsContact O-N 3.07Å |
| 1192 | I | 26.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 77% | 0.774 | 68% | 0.676 | S | S | * | * | | | trans | -57.6 | 98.5 | 137.9 | -58.5 | 163.2 | 0 | 0 | 0 | 108.4 | F1194 | I1192-F1194 HydrophobicContact CG2-CD2 4.22Š|
| 1193 | D | 24.1 | Very low | 26.5 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | | | trans | -134.7 | 117.7 | 145.6 | -96.4 | -38.8 | 0 | 0 | 0 | 107.6 | W1191 N1195 | W1191-D1193 PolarHBondContact O-N 3.37Å; W1191-D1193 VanDerWaalsContact O-N 3.07Å; D1193-N1195 PolarHBondContact O-N 3.11Å |
| 1194 | F | 25.1 | Very low | 26.4 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | | | | 52.2 | 23.9 | 55.2 | -91.4 | -91.2 | 0 | 0 | 0 | 114.5 | I1192 V1196 | I1192-F1194 HydrophobicContact CG2-CD2 4.22Å; F1194-V1196 HydrophobicContact CD1-CG2 3.57Å; F1194-V1196 HydrophobicContact CE1-CG2 4.16Å; F1194-V1196 HydrophobicContact CG-CG2 4.42Å; F1194-V1196 WeakPolarHBondContact O-CB 3.47Å |
| 1195 | N | 23.5 | Very low | 26.5 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | | | trans | -75.2 | 109.6 | 134.8 | -79.3 | -56.3 | 0 | 0 | 0 | 107.4 | D1193 | D1193-N1195 PolarHBondContact O-N 3.11Š|
| 1196 | V | 27.7 | Very low | 26.9 | Very low | 84 Ų | 84 | 126 Ų | 126 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | | | cis | 43.5 | 55.6 | 9.5 | -154 | 0 | 0 | 0 | 0 | 114.4 | F1194 | F1194-V1196 HydrophobicContact CD1-CG2 3.57Å; F1194-V1196 HydrophobicContact CE1-CG2 4.16Å; F1194-V1196 HydrophobicContact CG-CG2 4.42Å; F1194-V1196 WeakPolarHBondContact O-CB 3.47Å |
| 1197 | T | 23.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | | | | -81.3 | 116.1 | 114.6 | 34.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1198 | D | 24 | Very low | 27.3 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | | | | 39.2 | 95.3 | 64.8 | -80.7 | -11.1 | 0 | 0 | 0 | 110.2 | | |
| 1199 | S | 24 | Very low | 27 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | | | | -165.3 | 144.8 | 65.2 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1200 | I | 24.2 | Very low | 26.9 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 45% | 0.446 | 63% | 0.63 | S | S | . | * | | | | 36.8 | 103.3 | 84.8 | -53.5 | 179.1 | 0 | 0 | 0 | 114.1 | K1211 | I1200-K1211 WeakPolarHBondContact CG2-O 3.06Š|
| 1201 | S | 23.7 | Very low | 27.4 | Very low | 62 Ų | 62 | 121.2 Ų | 121.2 | 43% | 0.434 | 63% | 0.627 | S | S | . | * | | | trans | 74.3 | 151.1 | 156.6 | 77.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1202 | R | 22.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 46% | 0.464 | 62% | 0.622 | S | S | . | * | | | trans | 80.8 | 126.7 | 174.7 | -53.6 | 122.2 | 168.6 | -76 | 6.6 | 114.9 | N1208 H1210 | R1202-N1208 WeakPolarHBondContact CG-O 3.45Å; R1202-H1210 PolarHBondContact NH2-CD2 3.43Å; R1202-H1210 VanDerWaalsContact NH2-CD2 3.28Å |
| 1203 | L | 24.6 | Very low | 27.6 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | | | cis | 63.8 | 70.8 | 37.2 | -52.6 | 158.3 | 0 | 0 | 0 | 113.3 | N1208 | L1203-N1208 HydrophobicContact CD1-CB 4.12Š|
| 1204 | N | 24.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | | | trans | -162.6 | 111.8 | 136.9 | -89.5 | -29.1 | 0 | 0 | 0 | 106.8 | L1206 E1207 | N1204-L1206 WeakPolarHBondContact OD1-CA 3.23Å; N1204-L1206 PolarHBondContact OD1-N 2.95Å; N1204-E1207 PolarHBondContact OD1-N 2.86Å |
| 1205 | S | 29.6 | Very low | 27.9 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | S | Bend | cis | -43 | 110.9 | 23.3 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1206 | L | 34.6 | Very low | 28 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 29.7 | 120.1 | 169.8 | -88.7 | 52 | 0 | 0 | 0 | 119.4 | N1204 | N1204-L1206 WeakPolarHBondContact OD1-CA 3.23Å; N1204-L1206 PolarHBondContact OD1-N 2.95Å |
| 1207 | E | 31.8 | Very low | 27.9 | Very low | 144 Ų | 144 | 113.4 Ų | 113.4 | 67% | 0.673 | 62% | 0.62 | S | S | * | * | | | trans | 82.8 | 83.6 | 152.1 | -56.2 | -165.7 | 140.4 | 0 | 0 | 119.6 | N1204 | N1204-E1207 PolarHBondContact OD1-N 2.86Š|
| 1208 | N | 34.7 | Very low | 28 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | | | | 154.2 | 167.3 | 111.8 | -82.1 | -58.4 | 0 | 0 | 0 | 115.3 | R1202 L1203 | R1202-N1208 WeakPolarHBondContact CG-O 3.45Å; L1203-N1208 HydrophobicContact CD1-CB 4.12Å |
| 1209 | L | 29.1 | Very low | 28.2 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | | | trans | -105.6 | 178.6 | -167.6 | -56.5 | 68.5 | 0 | 0 | 0 | 110.7 | | |
| 1210 | H | 33.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 50% | 0.495 | 64% | 0.64 | S | S | . | * | | | cis | -167 | 145.1 | 11.2 | -145 | 147.5 | 0 | 0 | 0 | 111.8 | R1202 | R1202-H1210 PolarHBondContact NH2-CD2 3.43Å; R1202-H1210 VanDerWaalsContact NH2-CD2 3.28Å |
| 1211 | K | 35.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | | | trans | 65 | 169.3 | 156 | -82.6 | 155.5 | -172.4 | -179.5 | 0 | 115.7 | I1200 | I1200-K1211 WeakPolarHBondContact CG2-O 3.06Š|
| 1212 | R | 29.9 | Very low | 28.7 | Very low | 184 Ų | 184 | 123 Ų | 123 | 69% | 0.694 | 66% | 0.658 | S | S | * | * | | | cis | -168.7 | 157.1 | -41 | -121.6 | -170.9 | -173.4 | 131 | 5.9 | 107.7 | | |
| 1213 | N | 29.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | | | trans | 63.2 | 122 | 156.1 | -63.8 | 27.1 | 0 | 0 | 0 | 117.1 | | |
| 1214 | V | 27.3 | Very low | 29 | Very low | 101 Ų | 101 | 122 Ų | 122 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | | | | 85.6 | 141.7 | 54.4 | 169.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1215 | S | 27.6 | Very low | 29 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | | | trans | 97.5 | 99 | 172.5 | -57.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1216 | S | 26.8 | Very low | 28.8 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | | | | 83.9 | 101 | 115.9 | -55 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1217 | S | 24.7 | Very low | 28.4 | Very low | 100 Ų | 100 | 116.9 Ų | 116.9 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | | | | 72.1 | 144.3 | 118.2 | -50.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1218 | N | 25.5 | Very low | 28.2 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | | | trans | 91.6 | 159.1 | 166.6 | -49.2 | -64 | 0 | 0 | 0 | 117 | | |
| 1219 | L | 29.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 113.6 Ų | 113.6 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | | | trans | 68.2 | 105.3 | -179 | -47.3 | 179.7 | 0 | 0 | 0 | 113 | | |
| 1220 | L | 25.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | | | cis | 67.3 | 131.1 | 20.8 | -128.4 | -177.1 | 0 | 0 | 0 | 113.3 | | |
| 1221 | L | 30.4 | Very low | 27.3 | Very low | 143 Ų | 143 | 115.4 Ų | 115.4 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | | | trans | 73 | 150.9 | -172.3 | -51.7 | 141.8 | 0 | 0 | 0 | 112.9 | | |
| 1222 | S | 26.5 | Very low | 26.9 | Very low | 74 Ų | 74 | 114 Ų | 114 | 52% | 0.517 | 67% | 0.669 | S | S | . | * | | | cis | -164.8 | 176.4 | -22 | -104.1 | 0 | 0 | 0 | 0 | 109 | D1224 | S1222-D1224 PolarHBondContact O-N 3.13Š|
| 1223 | D | 24.8 | Very low | 26.8 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | | | trans | -54.9 | 125.9 | 164.3 | -39.7 | -84.4 | 0 | 0 | 0 | 111.2 | | |
| 1224 | D | 27.5 | Very low | 26.6 | Very low | 104 Ų | 104 | 110.8 Ų | 110.8 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | | | | -175 | 123.9 | 122.1 | -105.3 | -38 | 0 | 0 | 0 | 114 | S1222 N1261 | S1222-D1224 PolarHBondContact O-N 3.13Å; D1224-N1261 PolarHBondContact OD1-ND2 3.09Å; D1224-N1261 PolarHBondContact OD2-ND2 3.38Å |
| 1225 | S | 25.1 | Very low | 26.5 | Very low | 51 Ų | 51 | 110.1 Ų | 110.1 | 36% | 0.357 | 67% | 0.672 | S | S | . | * | | | | 30.7 | 100.8 | 111.3 | -36.1 | 0 | 0 | 0 | 0 | 118.7 | N1259 | S1225-N1259 VanDerWaalsContact CB-ND2 3.27Å; S1225-N1259 WeakPolarHBondContact CB-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-OD1 3.31Å |
| 1226 | N | 25 | Very low | 26.5 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | | | | 174.8 | 153.9 | 108.9 | -92.1 | -32.2 | 0 | 0 | 0 | 115 | | |
| 1227 | S | 26.8 | Very low | 26.5 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | | | trans | 67.7 | 148.7 | 155.7 | 75.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1228 | N | 27.9 | Very low | 26.7 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | | | trans | 52.7 | 109.6 | 156 | -56.4 | -17.3 | 0 | 0 | 0 | 117.2 | S180 | S180-N1228 PolarHBondContact O-ND2 3.37Š|
| 1229 | G | 26.2 | Very low | 26.7 | Very low | 62 Ų | 62 | 118.5 Ų | 118.5 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | | | cis | 88.2 | 141.3 | 20 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1230 | S | 26.5 | Very low | 26.7 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | | | trans | 65.5 | 153.1 | -160.4 | 90.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1231 | N | 25.9 | Very low | 26.9 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | | | cis | -166.9 | 171.7 | -27.4 | -114.6 | -17.7 | 0 | 0 | 0 | 107.6 | | |
| 1232 | S | 26.8 | Very low | 26.9 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | | | trans | 63.1 | 154.3 | 156.8 | 43.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1233 | N | 26.6 | Very low | 27 | Very low | 151 Ų | 151 | 119.3 Ų | 119.3 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | | | cis | -162.2 | 160.8 | -13.7 | -104.1 | -11.2 | 0 | 0 | 0 | 106.3 | | |
| 1234 | S | 26.4 | Very low | 27.1 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | | | cis | -172.9 | 156.3 | -5.6 | 41.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1235 | S | 25.3 | Very low | 27.1 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | | | trans | 64.9 | 149.4 | 149.1 | 65 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1236 | W | 28 | Very low | 27.1 | Very low | 236 Ų | 236 | 132.2 Ų | 132.2 | 89% | 0.894 | 72% | 0.72 | S | S | * | * | | | cis | -128.1 | 154.8 | 18.4 | -75.9 | 76.8 | 0 | 0 | 0 | 114.5 | | |
| 1237 | I | 26.6 | Very low | 27.2 | Very low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | | | trans | -123.7 | 137.2 | 177.2 | -71.2 | 160.2 | 0 | 0 | 0 | 104.6 | | |
| 1238 | P | 28.5 | Very low | 27.2 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | | -153.4 | 130.9 | 99.1 | 35.7 | -14.5 | 0 | 0 | 0 | 118.4 | | |
| 1239 | L | 25.9 | Very low | 27.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | | 39.4 | 129 | 122.5 | -65.6 | 149.2 | 0 | 0 | 0 | 120.4 | | |
| 1240 | N | 28.3 | Very low | 27.3 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | | -174.6 | 130.8 | 99 | -89.1 | -38.3 | 0 | 0 | 0 | 113.4 | | |
| 1241 | L | 30.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 48.5 | 139.2 | 142.5 | -77.1 | 62.8 | 0 | 0 | 0 | 120.3 | | |
| 1242 | I | 29.4 | Very low | 27.3 | Very low | 122 Ų | 122 | 135 Ų | 135 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | cis | -165.9 | 143.4 | -0.7 | -127 | 169.7 | 0 | 0 | 0 | 110.8 | | |
| 1243 | H | 29.1 | Very low | 27.5 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | trans | 56.4 | 144.7 | 156.7 | -59.3 | 177.1 | 0 | 0 | 0 | 121 | | |
| 1244 | H | 27.9 | Very low | 27.6 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | cis | -161.4 | 154.6 | -10.4 | -107.5 | -34.9 | 0 | 0 | 0 | 112 | | |
| 1245 | T | 27.2 | Very low | 27.6 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | trans | 58.6 | 71.6 | 160.1 | 52.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1246 | W | 25.4 | Very low | 27.7 | Very low | 248 Ų | 248 | 144.7 Ų | 144.7 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | | | trans | -110.2 | 168.4 | 137.2 | -98.3 | 42.2 | 0 | 0 | 0 | 109 | | |
| 1247 | S | 26.8 | Very low | 27.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 56.5 | 86.8 | 159.6 | -54.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1248 | S | 25.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | | | trans | -159.4 | 54.5 | 155.9 | -82 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1249 | A | 27.1 | Very low | 27.6 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -152.6 | 147.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108 | A1251 | A1249-A1251 VanDerWaalsContact C-N 3.29Å; A1249-A1251 PolarHBondContact O-N 3.32Å |
| 1250 | I | 29.4 | Very low | 27.7 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 92% | 0.918 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 56 | 40.3 | -173.7 | -34.1 | -179.3 | 0 | 0 | 0 | 113.3 | | |
| 1251 | A | 27.5 | Very low | 27.8 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -136.4 | 30.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1249 | A1249-A1251 VanDerWaalsContact C-N 3.29Å; A1249-A1251 PolarHBondContact O-N 3.32Å |
| 1252 | N | 26.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | | | trans | -160.4 | 52.9 | -178.3 | -122.6 | -20 | 0 | 0 | 0 | 112.9 | | |
| 1253 | E | 30.1 | Very low | 27.9 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -114.7 | 95 | 153.2 | -159.5 | 164.7 | -126.9 | 0 | 0 | 106.9 | | |
| 1254 | K | 28.8 | Very low | 28 | Very low | 174 Ų | 174 | 135 Ų | 135 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | | | trans | -65.2 | 142.1 | 178.2 | -72.9 | -179.8 | 175.1 | 179.7 | 0 | 108.9 | S1256 | K1254-S1256 PolarHBondContact O-N 2.92Š|
| 1255 | L | 26 | Very low | 28.1 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | -59.2 | 107.1 | 158 | -89.2 | 67 | 0 | 0 | 0 | 107.9 | N1257 | L1255-N1257 VanDerWaalsContact C-N 3.29Å; L1255-N1257 PolarHBondContact O-N 3.37Å |
| 1256 | S | 27.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | -75.5 | 85.1 | 167.9 | 55 | 0 | 0 | 0 | 0 | 108.5 | K1254 S1258 | K1254-S1256 PolarHBondContact O-N 2.92Å; S1256-S1258 PolarHBondContact O-N 3.01Å; S1256-S1258 VanDerWaalsContact O-N 3.12Å |
| 1257 | N | 25 | Very low | 28.4 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | trans | -59.3 | 113.3 | 165.8 | -85 | 11.4 | 0 | 0 | 0 | 108.9 | L1255 | L1255-N1257 VanDerWaalsContact C-N 3.29Å; L1255-N1257 PolarHBondContact O-N 3.37Å |
| 1258 | S | 29.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | trans | -142.9 | 100.5 | 161.3 | 61.4 | 0 | 0 | 0 | 0 | 108.6 | S1256 | S1256-S1258 PolarHBondContact O-N 3.01Å; S1256-S1258 VanDerWaalsContact O-N 3.12Å |
| 1259 | N | 26.5 | Very low | 28.6 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 39% | 0.39 | 72% | 0.72 | S | S | . | * | | | trans | -45 | 149.9 | -176.7 | -26.2 | -38 | 0 | 0 | 0 | 113.4 | S1225 | S1225-N1259 VanDerWaalsContact CB-ND2 3.27Å; S1225-N1259 WeakPolarHBondContact CB-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-OD1 3.31Å |
| 1260 | Y | 29.4 | Very low | 28.6 | Very low | 237 Ų | 237 | 137.5 Ų | 137.5 | 93% | 0.929 | 73% | 0.726 | S | S | * | * | | | | -161.8 | 133.9 | 126.5 | -99.4 | -62.3 | 0 | 0 | 0 | 110.1 | | |
| 1261 | N | 29.9 | Very low | 28.6 | Very low | 55 Ų | 55 | 136.6 Ų | 136.6 | 29% | 0.294 | 72% | 0.718 | S | S | . | * | | | trans | -100.9 | 136.1 | -162.9 | -51.1 | -53.4 | 0 | 0 | 0 | 112 | D1224 | D1224-N1261 PolarHBondContact OD1-ND2 3.09Å; D1224-N1261 PolarHBondContact OD2-ND2 3.38Å |
| 1262 | N | 30.2 | Very low | 28.6 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | | -176 | 97.7 | 117.7 | -105 | -79.6 | 0 | 0 | 0 | 113.3 | | |
| 1263 | I | 31.2 | Very low | 28.7 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 36% | 0.359 | 71% | 0.713 | S | S | . | * | | | | 36.8 | 112.6 | 129.4 | -54.3 | 170.3 | 0 | 0 | 0 | 117.7 | L1265 | I1263-L1265 HydrophobicContact CG2-CD1 4.38Š|
| 1264 | N | 31.3 | Very low | 28.8 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | | | | -159.7 | 104.5 | 119.5 | -100.7 | -64.7 | 0 | 0 | 0 | 110.9 | K23 | K23-N1264 PolarHBondContact NZ-OD1 3.26Š|
| 1265 | L | 30.7 | Very low | 28.8 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | | | trans | -66.3 | 140.1 | -177.3 | -75.6 | 60.6 | 0 | 0 | 0 | 113.3 | I1263 | I1263-L1265 HydrophobicContact CG2-CD1 4.38Š|
| 1266 | V | 30 | Very low | 29 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | | | | -141.2 | 130.1 | 118 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1267 | N | 27 | Very low | 29.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | | | trans | -4.1 | 109.1 | 166.6 | -50.9 | -32.1 | 0 | 0 | 0 | 118.9 | | |
| 1268 | D | 30.6 | Very low | 29.7 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 85% | 0.85 | 63% | 0.633 | S | S | * | * | | | trans | -157.1 | 123.1 | 133.6 | -128.9 | -20.1 | 0 | 0 | 0 | 110.8 | | |
| 1269 | F | 26.7 | Very low | 30.3 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 82% | 0.816 | 63% | 0.626 | S | S | * | * | | | trans | -138.3 | 137.2 | 178.9 | -99.4 | -87 | 0 | 0 | 0 | 109.7 | | |
| 1270 | N | 27.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 77.3 | 44.1 | 168.5 | -54.9 | -23.1 | 0 | 0 | 0 | 118.9 | | |
| 1271 | Q | 29.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 117.8 Ų | 117.8 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | | | trans | -130.1 | 115.5 | 145.1 | -70.4 | -166.8 | 0.6 | 0 | 0 | 111.3 | H1273 | Q1271-H1273 VanDerWaalsContact C-N 3.35Å; Q1271-H1273 PolarHBondContact O-N 3.06Å |
| 1272 | R | 27.3 | Very low | 31.5 | Very low | 226 Ų | 226 | 117.8 Ų | 117.8 | 85% | 0.853 | 58% | 0.584 | S | S | * | * | | | trans | -78.3 | 82.1 | 177.2 | -68.9 | -171.9 | -176.1 | -173.1 | 2.3 | 110.4 | F1274 | R1272-F1274 PolarHBondContact O-N 3.45Š|
| 1273 | H | 29.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | | | trans | -66 | 87.2 | 175.7 | -93.3 | -112 | 0 | 0 | 0 | 112.4 | Q1271 N1275 | Q1271-H1273 VanDerWaalsContact C-N 3.35Å; Q1271-H1273 PolarHBondContact O-N 3.06Å; H1273-N1275 VanDerWaalsContact C-N 3.3Å; H1273-N1275 PolarHBondContact O-N 2.84Å |
| 1274 | F | 31.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 110.6 Ų | 110.6 | 75% | 0.746 | 55% | 0.546 | S | S | * | . | | | trans | -67.2 | 93.4 | 156.7 | -78.6 | -81.5 | 0 | 0 | 0 | 108.6 | R1272 C1276 | R1272-F1274 PolarHBondContact O-N 3.45Å; F1274-C1276 PolarHBondContact O-N 2.84Å |
| 1275 | N | 30.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 105.2 Ų | 105.2 | 65% | 0.647 | 52% | 0.518 | S | S | * | . | | | trans | -73.2 | 76.9 | 172.8 | -77.3 | -22.8 | 0 | 0 | 0 | 109.9 | H1273 | H1273-N1275 VanDerWaalsContact C-N 3.3Å; H1273-N1275 PolarHBondContact O-N 2.84Å |
| 1276 | C | 29.2 | Very low | 32.8 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 51% | 0.507 | 51% | 0.508 | S | S | . | . | | | trans | -89.8 | 165 | 171.2 | -110.4 | 0 | 0 | 0 | 0 | 111.7 | F1274 R1278 | F1274-C1276 PolarHBondContact O-N 2.84Å; C1276-R1278 VanDerWaalsContact O-CG 3.24Å; C1276-R1278 WeakPolarHBondContact O-CG 3.23Å; C1276-R1278 PolarHBondContact O-N 3.45Å |
| 1277 | P | 38 | Very low | 33.2 | Very low | 13 Ų | 13 | 96 Ų | 96 | 8% | 0.084 | 48% | 0.475 | C | S | . | . | | | trans | -68.4 | 103 | -162.3 | -24 | 37.8 | 0 | 0 | 0 | 114 | P775 V776 D777 I1281 | P775-P1277 WeakPolarHBondContact O-CB 3.34Å; V776-P1277 HydrophobicContact CB-CG 4.37Å; V776-P1277 HydrophobicContact CG1-CG 3.93Å; D777-P1277 HydrophobicContact CB-CB 4.19Å; D777-P1277 HydrophobicContact CB-CG 3.83Å; D777-P1277 VanDerWaalsContact OD2-CA 3.27Å; D777-P1277 WeakPolarHBondContact OD2-CA 3.22Å; P1277-I1281 HydrophobicContact CB-CD1 4.1Å; P1277-I1281 HydrophobicContact CG-CD1 4.45Å |
| 1278 | R | 30 | Very low | 33.8 | Very low | 82 Ų | 82 | 91.7 Ų | 91.7 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | | | trans | -77.8 | 135.2 | -169.2 | -61.4 | -168.2 | 179 | -128.9 | -3.3 | 111.7 | C817 Q818 C1276 | C817-R1278 PolarHBondContact O-NH1 3.25Å; Q818-R1278 HydrophobicContact CB-CB 3.82Å; Q818-R1278 HydrophobicContact CB-CG 3.91Å; Q818-R1278 HydrophobicContact CG-CB 4.38Å; C1276-R1278 VanDerWaalsContact O-CG 3.24Å; C1276-R1278 WeakPolarHBondContact O-CG 3.23Å; C1276-R1278 PolarHBondContact O-N 3.45Å |
| 1279 | R | 41 | Very low | 34.4 | Very low | 157 Ų | 157 | 86 Ų | 86 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 93.8 | -15.2 | 167.5 | -52.5 | 176.1 | 173.4 | -153.3 | -5.2 | 120.4 | I758 Q818 | I758-R1279 HydrophobicContact CG2-CB 3.45Å; I758-R1279 VanDerWaalsContact CG2-CB 3.45Å; Q818-R1279 HydrophobicContact CG-CG 4.05Å |
| 1280 | V | 37 | Very low | 35.1 | Very low | 38 Ų | 38 | 83 Ų | 83 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -107 | -17.1 | -173.4 | -163 | 0 | 0 | 0 | 0 | 114.7 | I758 P775 | I758-V1280 HydrophobicContact CB-CG2 4.44Å; I758-V1280 HydrophobicContact CG1-CG2 4.15Å; I758-V1280 HydrophobicContact CG2-CG2 4.21Å; P775-V1280 HydrophobicContact CB-CB 3.69Å; P775-V1280 HydrophobicContact CB-CG1 3.65Å |
| 1281 | I | 36.5 | Very low | 36 | Very low | 22 Ų | 22 | 77.9 Ų | 77.9 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -91.2 | -25.5 | -164.7 | -59.5 | 169.8 | 0 | 0 | 0 | 114.2 | P775 I820 P1277 L1284 T1285 | P775-I1281 HydrophobicContact CB-CG1 3.76Å; P775-I1281 HydrophobicContact CG-CG1 3.95Å; I820-I1281 HydrophobicContact CD1-CB 3.67Å; I820-I1281 HydrophobicContact CD1-CD1 3.69Å; I820-I1281 HydrophobicContact CD1-CG1 4.21Å; I820-I1281 HydrophobicContact CD1-CG2 3.82Å; P1277-I1281 HydrophobicContact CB-CD1 4.1Å; P1277-I1281 HydrophobicContact CG-CD1 4.45Å; I1281-L1284 PolarHBondContact O-N 2.97Å; I1281-T1285 WeakPolarHBondContact O-CB 3.47Å; I1281-T1285 PolarHBondContact O-N 2.95Å; I1281-T1285 PolarHBondContact O-OG1 3.29Å |
| 1282 | S | 37.7 | Very low | 36.5 | Very low | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -59.4 | -177.9 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | L1284 T1285 A1286 | S1282-L1284 PolarHBondContact O-N 2.75Å; S1282-T1285 WeakPolarHBondContact O-CB 3.13Å; S1282-T1285 PolarHBondContact O-N 3.48Å; S1282-T1285 VanDerWaalsContact O-N 3.16Å; S1282-A1286 PolarHBondContact O-N 3.39Å |
| 1283 | D | 39 | Very low | 37.5 | Very low | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.2 | -37.8 | 174.7 | -81.2 | -4 | 0 | 0 | 0 | 111.9 | S759 G760 V761 A1287 | S759-D1283 PolarHBondContact OG-OD2 3.35Å; G760-D1283 PolarHBondContact N-OD2 3.16Å; V761-D1283 PolarHBondContact N-OD2 3.45Å; D1283-A1287 WeakPolarHBondContact O-CB 3.4Å; D1283-A1287 PolarHBondContact O-N 2.9Å |
| 1284 | L | 37.6 | Very low | 38.2 | Very low | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | -179.1 | -170.7 | 70.4 | 0 | 0 | 0 | 112 | A763 P775 L789 L793 I1281 S1282 A1287 L1288 | A763-L1284 HydrophobicContact CB-CD1 4.2Å; P775-L1284 HydrophobicContact CB-CD2 4.37Å; P775-L1284 HydrophobicContact CG-CD2 3.68Å; L789-L1284 HydrophobicContact CD2-CD1 3.85Å; L789-L1284 HydrophobicContact CD2-CD2 3.91Å; L789-L1284 HydrophobicContact CG-CD2 4.39Å; L793-L1284 HydrophobicContact CD1-CD2 3.86Å; I1281-L1284 PolarHBondContact O-N 2.97Å; S1282-L1284 PolarHBondContact O-N 2.75Å; L1284-A1287 PolarHBondContact O-N 2.98Å; L1284-L1288 HydrophobicContact CD1-CD1 4.02Å; L1284-L1288 HydrophobicContact CD1-CD2 4.44Å; L1284-L1288 HydrophobicContact CD1-CG 3.99Å; L1284-L1288 HydrophobicContact CD2-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CD1 3.74Å; L1284-L1288 HydrophobicContact CG-CG 4.02Å; L1284-L1288 WeakPolarHBondContact O-CB 3.22Å; L1284-L1288 WeakPolarHBondContact O-CG 3.3Å; L1284-L1288 PolarHBondContact O-N 3.03Å |
| 1285 | T | 37.6 | Very low | 39 | Very low | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -57 | 178.2 | -67.8 | 0 | 0 | 0 | 0 | 111 | I809 I1281 S1282 A1287 L1288 I1289 | I809-T1285 HydrophobicContact CB-CG2 3.73Å; I809-T1285 HydrophobicContact CG2-CG2 4.4Å; I1281-T1285 WeakPolarHBondContact O-CB 3.47Å; I1281-T1285 PolarHBondContact O-N 2.95Å; I1281-T1285 PolarHBondContact O-OG1 3.29Å; S1282-T1285 WeakPolarHBondContact O-CB 3.13Å; S1282-T1285 PolarHBondContact O-N 3.48Å; S1282-T1285 VanDerWaalsContact O-N 3.16Å; T1285-A1287 PolarHBondContact O-N 3.06Å; T1285-A1287 VanDerWaalsContact O-N 3.11Å; T1285-L1288 PolarHBondContact O-N 3.47Å; T1285-I1289 HydrophobicContact CG2-CD1 3.7Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.48Å; T1285-I1289 PolarHBondContact O-N 3.46Å; T1285-I1289 VanDerWaalsContact O-N 3.13Å |
| 1286 | A | 36.3 | Very low | 39.8 | Very low | 60 Ų | 60 | 64.5 Ų | 64.5 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.9 | -33.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1282 L1290 | S1282-A1286 PolarHBondContact O-N 3.39Å; A1286-L1290 WeakPolarHBondContact O-CG 3.43Å |
| 1287 | A | 38.9 | Very low | 40.7 | Very low | 15 Ų | 15 | 64.7 Ų | 64.7 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -99.8 | -7.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L764 R786 D1283 L1284 T1285 | L764-A1287 HydrophobicContact CD1-CB 3.3Å; L764-A1287 HydrophobicContact CD2-CB 3.23Å; L764-A1287 HydrophobicContact CG-CB 3.85Å; R786-A1287 PolarHBondContact NH2-O 3.04Å; D1283-A1287 WeakPolarHBondContact O-CB 3.4Å; D1283-A1287 PolarHBondContact O-N 2.9Å; L1284-A1287 PolarHBondContact O-N 2.98Å; T1285-A1287 PolarHBondContact O-N 3.06Å; T1285-A1287 VanDerWaalsContact O-N 3.11Å |
| 1288 | L | 38.9 | Very low | 41.3 | Very low | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -90.8 | -35.5 | 164.6 | -70.7 | -177.1 | 0 | 0 | 0 | 111.3 | R786 L793 L1284 T1285 | R786-L1288 HydrophobicContact CB-CD2 4.44Å; L793-L1288 HydrophobicContact CD1-CD1 3.93Å; L1284-L1288 HydrophobicContact CD1-CD1 4.02Å; L1284-L1288 HydrophobicContact CD1-CD2 4.44Å; L1284-L1288 HydrophobicContact CD1-CG 3.99Å; L1284-L1288 HydrophobicContact CD2-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CD1 3.74Å; L1284-L1288 HydrophobicContact CG-CG 4.02Å; L1284-L1288 WeakPolarHBondContact O-CB 3.22Å; L1284-L1288 WeakPolarHBondContact O-CG 3.3Å; L1284-L1288 PolarHBondContact O-N 3.03Å; T1285-L1288 PolarHBondContact O-N 3.47Å |
| 1289 | I | 43.1 | Very low | 42 | Very low | 39 Ų | 39 | 67.7 Ų | 67.7 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -57.3 | -177.4 | -68.3 | 174.7 | 0 | 0 | 0 | 111.4 | V806 T1285 D1292 V1293 | V806-I1289 HydrophobicContact CG1-CG1 4.49Å; V806-I1289 HydrophobicContact CG1-CG2 3.87Å; T1285-I1289 HydrophobicContact CG2-CD1 3.7Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.48Å; T1285-I1289 PolarHBondContact O-N 3.46Å; T1285-I1289 VanDerWaalsContact O-N 3.13Å; I1289-D1292 PolarHBondContact O-N 3.3Å; I1289-V1293 HydrophobicContact CG2-CG2 3.75Å; I1289-V1293 WeakPolarHBondContact O-CB 3.48Å; I1289-V1293 VanDerWaalsContact O-CG2 3.26Å; I1289-V1293 WeakPolarHBondContact O-CG2 3.25Å; I1289-V1293 PolarHBondContact O-N 2.8Å |
| 1290 | L | 40.6 | Very low | 42.2 | Very low | 125 Ų | 125 | 62.8 Ų | 62.8 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.5 | -48.1 | -168.7 | -66.3 | 170.7 | 0 | 0 | 0 | 114.7 | A1286 E1294 | A1286-L1290 WeakPolarHBondContact O-CG 3.43Å; L1290-E1294 WeakPolarHBondContact O-CB 3.31Å; L1290-E1294 PolarHBondContact O-N 2.94Å |
| 1291 | P | 46.6 | Very low | 42.5 | Very low | 43 Ų | 43 | 64.5 Ų | 64.5 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.5 | -28.9 | -175.3 | -15.8 | 32.3 | 0 | 0 | 0 | 114 | R1295 | P1291-R1295 WeakPolarHBondContact O-CB 3.26Å; P1291-R1295 WeakPolarHBondContact O-CG 3.44Å; P1291-R1295 PolarHBondContact O-N 2.87Å |
| 1292 | D | 41.4 | Very low | 42.9 | Very low | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -88.7 | -27.1 | 179.4 | -101.1 | 11.5 | 0 | 0 | 0 | 113 | I1289 R1295 R1296 | I1289-D1292 PolarHBondContact O-N 3.3Å; D1292-R1295 PolarHBondContact O-N 2.94Å; D1292-R1295 IonicContact OD1-CZ 2.65Å; D1292-R1295 IonicContact OD1-NE 3.12Å; D1292-R1295 PolarHBondContact OD1-NE 3.07Å; D1292-R1295 IonicContact OD1-NH2 2.65Å; D1292-R1295 PolarHBondContact OD1-NH2 3.04Å; D1292-R1296 VanDerWaalsContact O-CB 3.23Å; D1292-R1296 WeakPolarHBondContact O-CB 3.43Å; D1292-R1296 VanDerWaalsContact O-CG 3.23Å; D1292-R1296 WeakPolarHBondContact O-CG 3.38Å; D1292-R1296 PolarHBondContact O-N 2.96Å |
| 1293 | V | 47 | Very low | 43.4 | Very low | 45 Ų | 45 | 67.9 Ų | 67.9 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 161.9 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | V806 I1289 R1295 R1296 L1297 | V806-V1293 HydrophobicContact CB-CG2 4.47Å; V806-V1293 HydrophobicContact CG1-CG2 3.8Å; V806-V1293 HydrophobicContact CG2-CG2 3.94Å; I1289-V1293 HydrophobicContact CG2-CG2 3.75Å; I1289-V1293 WeakPolarHBondContact O-CB 3.48Å; I1289-V1293 VanDerWaalsContact O-CG2 3.26Å; I1289-V1293 WeakPolarHBondContact O-CG2 3.25Å; I1289-V1293 PolarHBondContact O-N 2.8Å; V1293-R1295 VanDerWaalsContact C-N 3.34Å; V1293-R1295 PolarHBondContact O-N 3.11Å; V1293-R1296 PolarHBondContact O-N 3.21Å; V1293-L1297 HydrophobicContact CG1-CD1 3.75Å; V1293-L1297 HydrophobicContact CG1-CG 4.39Å; V1293-L1297 VanDerWaalsContact O-CB 3.3Å; V1293-L1297 WeakPolarHBondContact O-CB 3.46Å; V1293-L1297 PolarHBondContact O-N 3.05Å |
| 1294 | E | 44.8 | Very low | 43.6 | Very low | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.6 | -168 | -166.5 | -170.1 | 0 | 0 | 111.9 | L1290 K1298 | L1290-E1294 WeakPolarHBondContact O-CB 3.31Å; L1290-E1294 PolarHBondContact O-N 2.94Å; E1294-K1298 VanDerWaalsContact CD-NZ 3.29Å; E1294-K1298 HydrophobicContact CG-CD 4.2Å; E1294-K1298 VanDerWaalsContact O-CB 3.31Å; E1294-K1298 WeakPolarHBondContact O-CB 3.4Å; E1294-K1298 VanDerWaalsContact O-CG 3.24Å; E1294-K1298 WeakPolarHBondContact O-CG 3.32Å; E1294-K1298 PolarHBondContact O-N 2.82Å; E1294-K1298 WeakPolarHBondContact OE1-CE 3.39Å; E1294-K1298 IonicContact OE1-NZ 2.84Å; E1294-K1298 PolarHBondContact OE1-NZ 3.11Å |
| 1295 | R | 48.2 | Very low | 43.8 | Very low | 160 Ų | 160 | 76 Ų | 76 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 176.9 | -76.8 | -170.1 | -70.1 | -138.7 | 4.3 | 113.4 | P1291 D1292 V1293 K1298 A1299 | P1291-R1295 WeakPolarHBondContact O-CB 3.26Å; P1291-R1295 WeakPolarHBondContact O-CG 3.44Å; P1291-R1295 PolarHBondContact O-N 2.87Å; D1292-R1295 PolarHBondContact O-N 2.94Å; D1292-R1295 IonicContact OD1-CZ 2.65Å; D1292-R1295 IonicContact OD1-NE 3.12Å; D1292-R1295 PolarHBondContact OD1-NE 3.07Å; D1292-R1295 IonicContact OD1-NH2 2.65Å; D1292-R1295 PolarHBondContact OD1-NH2 3.04Å; V1293-R1295 VanDerWaalsContact C-N 3.34Å; V1293-R1295 PolarHBondContact O-N 3.11Å; R1295-K1298 PolarHBondContact O-N 3.31Å; R1295-A1299 WeakPolarHBondContact O-CB 3.48Å; R1295-A1299 PolarHBondContact O-N 2.75Å |
| 1296 | R | 47.1 | Very low | 43.6 | Very low | 164 Ų | 164 | 80.6 Ų | 80.6 | 62% | 0.619 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.5 | -34.1 | 179.4 | -70.2 | 175.2 | 75.7 | 174.3 | 1.8 | 111.9 | D1292 V1293 A1299 S1300 | D1292-R1296 VanDerWaalsContact O-CB 3.23Å; D1292-R1296 WeakPolarHBondContact O-CB 3.43Å; D1292-R1296 VanDerWaalsContact O-CG 3.23Å; D1292-R1296 WeakPolarHBondContact O-CG 3.38Å; D1292-R1296 PolarHBondContact O-N 2.96Å; V1293-R1296 PolarHBondContact O-N 3.21Å; R1296-A1299 PolarHBondContact O-N 2.64Å; R1296-S1300 WeakPolarHBondContact O-CB 3.43Å; R1296-S1300 PolarHBondContact O-N 2.83Å; R1296-S1300 PolarHBondContact O-OG 2.91Å |
| 1297 | L | 47.7 | Very low | 43.4 | Very low | 79 Ų | 79 | 83.4 Ų | 83.4 | 41% | 0.414 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 167.7 | -80.9 | 168.8 | 0 | 0 | 0 | 111.5 | V1293 A1299 S1300 I1301 | V1293-L1297 HydrophobicContact CG1-CD1 3.75Å; V1293-L1297 HydrophobicContact CG1-CG 4.39Å; V1293-L1297 VanDerWaalsContact O-CB 3.3Å; V1293-L1297 WeakPolarHBondContact O-CB 3.46Å; V1293-L1297 PolarHBondContact O-N 3.05Å; L1297-A1299 PolarHBondContact O-N 2.65Å; L1297-S1300 WeakPolarHBondContact CA-OG 3.43Å; L1297-S1300 PolarHBondContact O-N 3.04Å; L1297-S1300 PolarHBondContact O-OG 3.37Å; L1297-S1300 VanDerWaalsContact O-OG 3.12Å; L1297-I1301 HydrophobicContact CB-CD1 4.3Å; L1297-I1301 VanDerWaalsContact O-CB 3.25Å; L1297-I1301 WeakPolarHBondContact O-CB 3.33Å; L1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.39Å; L1297-I1301 PolarHBondContact O-N 3.13Å |
| 1298 | K | 51.5 | Low | 42.9 | Very low | 97 Ų | 97 | 88.1 Ų | 88.1 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -33.6 | 175.3 | -76.3 | 173.2 | -176.1 | 174.8 | 0 | 112.2 | E1294 R1295 S1302 | E1294-K1298 VanDerWaalsContact CD-NZ 3.29Å; E1294-K1298 HydrophobicContact CG-CD 4.2Å; E1294-K1298 VanDerWaalsContact O-CB 3.31Å; E1294-K1298 WeakPolarHBondContact O-CB 3.4Å; E1294-K1298 VanDerWaalsContact O-CG 3.24Å; E1294-K1298 WeakPolarHBondContact O-CG 3.32Å; E1294-K1298 PolarHBondContact O-N 2.82Å; E1294-K1298 WeakPolarHBondContact OE1-CE 3.39Å; E1294-K1298 IonicContact OE1-NZ 2.84Å; E1294-K1298 PolarHBondContact OE1-NZ 3.11Å; R1295-K1298 PolarHBondContact O-N 3.31Å; K1298-S1302 WeakPolarHBondContact O-CB 3.43Å; K1298-S1302 PolarHBondContact O-N 3.34Å; K1298-S1302 VanDerWaalsContact O-N 3.13Å; K1298-S1302 PolarHBondContact O-OG 3.01Å |
| 1299 | A | 43.6 | Very low | 42.5 | Very low | 61 Ų | 61 | 90.2 Ų | 90.2 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | R1295 R1296 L1297 S1302 A1303 | R1295-A1299 WeakPolarHBondContact O-CB 3.48Å; R1295-A1299 PolarHBondContact O-N 2.75Å; R1296-A1299 PolarHBondContact O-N 2.64Å; L1297-A1299 PolarHBondContact O-N 2.65Å; A1299-S1302 PolarHBondContact O-N 2.77Å; A1299-A1303 PolarHBondContact O-N 2.92Å; A1299-A1303 VanDerWaalsContact O-N 3.07Å |
| 1300 | S | 44.9 | Very low | 41.9 | Very low | 55 Ų | 55 | 95 Ų | 95 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | R1296 L1297 S1302 A1303 T1304 | R1296-S1300 WeakPolarHBondContact O-CB 3.43Å; R1296-S1300 PolarHBondContact O-N 2.83Å; R1296-S1300 PolarHBondContact O-OG 2.91Å; L1297-S1300 WeakPolarHBondContact CA-OG 3.43Å; L1297-S1300 PolarHBondContact O-N 3.04Å; L1297-S1300 PolarHBondContact O-OG 3.37Å; L1297-S1300 VanDerWaalsContact O-OG 3.12Å; S1300-S1302 VanDerWaalsContact C-N 3.31Å; S1300-S1302 PolarHBondContact O-N 3.2Å; S1300-A1303 CarbonylContact O-C 3.59Å; S1300-A1303 WeakPolarHBondContact O-CA 3.34Å; S1300-A1303 WeakPolarHBondContact O-CB 3.29Å; S1300-A1303 PolarHBondContact O-N 3.33Å; S1300-T1304 PolarHBondContact O-N 3.09Å; S1300-T1304 PolarHBondContact O-OG1 2.83Å |
| 1301 | I | 44.6 | Very low | 41.4 | Very low | 74 Ų | 74 | 95.7 Ų | 95.7 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -41 | 173.7 | -64.9 | 166.3 | 0 | 0 | 0 | 110.5 | L1297 A1303 T1304 H1305 | L1297-I1301 HydrophobicContact CB-CD1 4.3Å; L1297-I1301 VanDerWaalsContact O-CB 3.25Å; L1297-I1301 WeakPolarHBondContact O-CB 3.33Å; L1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.39Å; L1297-I1301 PolarHBondContact O-N 3.13Å; I1301-A1303 PolarHBondContact O-N 3.33Å; I1301-T1304 PolarHBondContact O-OG1 3.31Å; I1301-H1305 WeakPolarHBondContact CG2-NE2 3.23Å; I1301-H1305 PolarHBondContact O-CD2 3.2Å; I1301-H1305 PolarHBondContact O-N 3.39Å |
| 1302 | S | 44.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 101.5 Ų | 101.5 | 62% | 0.622 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -19.3 | 174.2 | -62.4 | 0 | 0 | 0 | 0 | 113.9 | K1298 A1299 S1300 | K1298-S1302 WeakPolarHBondContact O-CB 3.43Å; K1298-S1302 PolarHBondContact O-N 3.34Å; K1298-S1302 VanDerWaalsContact O-N 3.13Å; K1298-S1302 PolarHBondContact O-OG 3.01Å; A1299-S1302 PolarHBondContact O-N 2.77Å; S1300-S1302 VanDerWaalsContact C-N 3.31Å; S1300-S1302 PolarHBondContact O-N 3.2Å |
| 1303 | A | 46.6 | Very low | 40.4 | Very low | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -90.6 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1299 S1300 I1301 H1305 T1306 | A1299-A1303 PolarHBondContact O-N 2.92Å; A1299-A1303 VanDerWaalsContact O-N 3.07Å; S1300-A1303 CarbonylContact O-C 3.59Å; S1300-A1303 WeakPolarHBondContact O-CA 3.34Å; S1300-A1303 WeakPolarHBondContact O-CB 3.29Å; S1300-A1303 PolarHBondContact O-N 3.33Å; I1301-A1303 PolarHBondContact O-N 3.33Å; A1303-H1305 VanDerWaalsContact C-N 3.31Å; A1303-H1305 PolarHBondContact O-N 2.91Å; A1303-T1306 PolarHBondContact O-N 3.07Å; A1303-T1306 PolarHBondContact O-OG1 3.12Å |
| 1304 | T | 44.4 | Very low | 39.8 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 55% | 0.546 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.5 | -27.5 | -177.9 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | S1300 I1301 T1306 T1307 | S1300-T1304 PolarHBondContact O-N 3.09Å; S1300-T1304 PolarHBondContact O-OG1 2.83Å; I1301-T1304 PolarHBondContact O-OG1 3.31Å; T1304-T1306 PolarHBondContact O-N 3.38Å; T1304-T1307 PolarHBondContact O-N 2.84Å; T1304-T1307 PolarHBondContact O-OG1 3.29Å |
| 1305 | H | 40.5 | Very low | 39.2 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 0.9 | 172.6 | -74.9 | -39.6 | 0 | 0 | 0 | 115.2 | I1301 A1303 | I1301-H1305 WeakPolarHBondContact CG2-NE2 3.23Å; I1301-H1305 PolarHBondContact O-CD2 3.2Å; I1301-H1305 PolarHBondContact O-N 3.39Å; A1303-H1305 VanDerWaalsContact C-N 3.31Å; A1303-H1305 PolarHBondContact O-N 2.91Å |
| 1306 | T | 33.5 | Very low | 38.5 | Very low | 116 Ų | 116 | 115 Ų | 115 | 71% | 0.712 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -8.7 | 175.2 | 61.6 | 0 | 0 | 0 | 0 | 115 | A1303 T1304 T1308 | A1303-T1306 PolarHBondContact O-N 3.07Å; A1303-T1306 PolarHBondContact O-OG1 3.12Å; T1304-T1306 PolarHBondContact O-N 3.38Å; T1306-T1308 PolarHBondContact O-N 3.49Å |
| 1307 | T | 32.1 | Very low | 37.8 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | | | trans | -98.2 | 74.6 | 172.2 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | T1304 S1309 | T1304-T1307 PolarHBondContact O-N 2.84Å; T1304-T1307 PolarHBondContact O-OG1 3.29Å; T1307-S1309 PolarHBondContact O-N 2.82Å; T1307-S1309 VanDerWaalsContact O-N 3.12Å |
| 1308 | T | 29.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | | | trans | -71.9 | 99.2 | 163.9 | -52.2 | 0 | 0 | 0 | 0 | 108.8 | T1306 T1310 | T1306-T1308 PolarHBondContact O-N 3.49Å; T1308-T1310 PolarHBondContact O-N 3.47Å |
| 1309 | S | 30.5 | Very low | 36 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 56% | 0.559 | 68% | 0.677 | S | S | * | * | | | trans | -64.4 | 130.7 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 110 | T1307 N1311 | T1307-S1309 PolarHBondContact O-N 2.82Å; T1307-S1309 VanDerWaalsContact O-N 3.12Å; S1309-N1311 PolarHBondContact O-N 3.35Å; S1309-N1311 PolarHBondContact OG-OD1 3.38Å |
| 1310 | T | 30.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | | | trans | -76.6 | 75.3 | 168.4 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | T1308 H1312 | T1308-T1310 PolarHBondContact O-N 3.47Å; T1310-H1312 PolarHBondContact O-N 3.06Å |
| 1311 | N | 30.5 | Very low | 34.7 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | | | trans | -62.5 | 105.4 | 168.4 | -78.3 | 1.1 | 0 | 0 | 0 | 108.7 | S1309 | S1309-N1311 PolarHBondContact O-N 3.35Å; S1309-N1311 PolarHBondContact OG-OD1 3.38Å |
| 1312 | H | 33.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | -141.6 | 135.8 | 165.8 | -115.8 | -71.1 | 0 | 0 | 0 | 111.2 | T1310 | T1310-H1312 PolarHBondContact O-N 3.06Š|
| 1313 | N | 34.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | trans | 69.2 | 76.9 | 162.5 | -54 | -6.9 | 0 | 0 | 0 | 116.3 | | |
| 1314 | N | 34.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 92% | 0.92 | 75% | 0.751 | S | S | * | * | | | trans | -58.8 | 152.1 | 142.4 | -97.4 | -25 | 0 | 0 | 0 | 110.4 | | |
| 1315 | K | 32.2 | Very low | 31.8 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | | | trans | -66.5 | 143.9 | -173.7 | -55.9 | 162.8 | -177.9 | 169.4 | 0 | 112.5 | | |
| 1316 | S | 32 | Very low | 31.1 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | | -165.4 | 144.4 | 119.4 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1317 | N | 32.8 | Very low | 30.9 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -16.6 | 153.1 | 150.8 | -48.7 | -29.3 | 0 | 0 | 0 | 116.1 | | |
| 1318 | K | 32.6 | Very low | 30.7 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | | | cis | -167.4 | 151.2 | 25.3 | -144.9 | 171.6 | -173.5 | -179.4 | 0 | 111.3 | | |
| 1319 | S | 28.6 | Very low | 30.5 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | 47.1 | 130.7 | 145 | 59.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1320 | N | 31.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | 99 | 120.6 | 144.9 | -58.6 | -10 | 0 | 0 | 0 | 121.4 | | |
| 1321 | L | 29.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | -71.1 | 177.7 | 152.5 | -87.1 | 68.3 | 0 | 0 | 0 | 110.2 | | |
| 1322 | P | 31.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | cis | -114.8 | 173.3 | 9.8 | 10.4 | 16.9 | 0 | 0 | 0 | 113.6 | | |
| 1323 | S | 26.7 | Very low | 30 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | cis | 77.4 | 146.3 | 47.5 | -45.7 | 0 | 0 | 0 | 0 | 116 | | |
| 1324 | S | 28.9 | Very low | 30 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | 74.4 | 150.5 | -166.9 | 79.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1325 | S | 32.1 | Very low | 30 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | cis | -150.7 | 135.4 | -13.8 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1326 | T | 27 | Very low | 30.1 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | 68.9 | 129.9 | 78 | -31.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1327 | V | 27.9 | Very low | 30.2 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | | | trans | 69.8 | 145.8 | 175.3 | -162.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1328 | G | 29.2 | Very low | 30.3 | Very low | 59 Ų | 59 | 120.8 Ų | 120.8 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | | | cis | -160.9 | 152.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1329 | S | 25.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | | 65.9 | 94.5 | 93.4 | -62.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1330 | S | 25.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | 76.8 | 157.5 | 136.6 | 77.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1331 | I | 28.1 | Very low | 30.5 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | 89 | 112 | 149.6 | -76.8 | 163.7 | 0 | 0 | 0 | 120.3 | | |
| 1332 | L | 29.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | 73.8 | 132.7 | 145.1 | -94.4 | 51.7 | 0 | 0 | 0 | 124.1 | | |
| 1333 | S | 29.8 | Very low | 30 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | 69.4 | 143 | 138.9 | -63.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1334 | S | 33.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | | | cis | -169 | 150.1 | -8.1 | 44 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1335 | Q | 35.6 | Very low | 30 | Very low | 192 Ų | 192 | 120.7 Ų | 120.7 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | | | trans | 66.6 | 144 | 160.9 | -70.9 | 174.8 | -7.2 | 0 | 0 | 117.8 | | |
| 1336 | A | 33.3 | Very low | 29.7 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | cis | -157.6 | 157.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1337 | S | 34.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | 57.4 | 130.3 | 152.6 | -142.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1338 | S | 35.2 | Very low | 29.6 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | cis | -168.2 | 146.1 | -10.3 | 39 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1339 | Q | 34.8 | Very low | 29.8 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 49.8 | 136.8 | 148.6 | -60.3 | -178.2 | 13.9 | 0 | 0 | 120.2 | | |
| 1340 | T | 32.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | cis | -158.1 | 126.4 | -8 | 18.6 | 0 | 0 | 0 | 0 | 105.4 | | |
| 1341 | T | 28.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | | 101.9 | 110.4 | 56 | -76.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1342 | F | 25.6 | Very low | 30.4 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | trans | 52.9 | 125.3 | 145 | -68.9 | -105.2 | 0 | 0 | 0 | 119.6 | | |
| 1343 | S | 25.5 | Very low | 30.2 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | | 79.9 | 109.8 | 54 | -64.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1344 | A | 29.8 | Very low | 30.3 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | -164.2 | 126.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1345 | I | 25.5 | Very low | 29.9 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | cis | 81.7 | 126.9 | 34.7 | -56.2 | 174.2 | 0 | 0 | 0 | 112.8 | | |
| 1346 | T | 26.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | 63.7 | 151.7 | 170.6 | 49.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1347 | T | 29.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | cis | -145.9 | 164.5 | 0.4 | -11.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1348 | S | 24.5 | Very low | 29.2 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -39.9 | 149.3 | 165.3 | 54.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1349 | T | 31.9 | Very low | 28.8 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | | -166.1 | 154.5 | 108.6 | 19.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1350 | T | 27.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | trans | -67.4 | 145.7 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1351 | K | 31.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | | | | 168.3 | 149.4 | 111.5 | -93.2 | 153.6 | -172.1 | 170.3 | 0 | 115.7 | | |
| 1352 | K | 33.4 | Very low | 29 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | 68.4 | 116.9 | 155.3 | -72.5 | 177.7 | 178.1 | 178.3 | 0 | 120.9 | | |
| 1353 | H | 26.8 | Very low | 29.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | | | trans | -16.3 | 138.7 | 146.8 | -61 | -114 | 0 | 0 | 0 | 117.6 | | |
| 1354 | Q | 30.6 | Very low | 29.7 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | | | | -163.1 | 146 | 108.1 | -107.7 | 174.1 | 18 | 0 | 0 | 113 | | |
| 1355 | S | 26.2 | Very low | 29.8 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -102.8 | 133 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1356 | C | 27.9 | Very low | 30 | Very low | 124 Ų | 124 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -158.7 | 134.2 | 157.8 | -133.9 | 0 | 0 | 0 | 0 | 112 | | |
| 1357 | C | 27.7 | Very low | 30.1 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -77.3 | 142.9 | -178 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1358 | S | 32.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -162.1 | 130.5 | 159.1 | -77.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1359 | G | 26.5 | Very low | 30.6 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | cis | 104.8 | 77.1 | 11.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1360 | K | 33.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -169.5 | 146.1 | -179.7 | -97.3 | 145.9 | -175.8 | 179.4 | 0 | 107.9 | | |
| 1361 | R | 34 | Very low | 30.7 | Very low | 232 Ų | 232 | 146.1 Ų | 146.1 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | cis | -158.4 | 148.9 | -12.2 | -141.9 | -179.9 | -174.7 | -174 | -1.3 | 110.5 | | |
| 1362 | R | 32.4 | Very low | 30.4 | Very low | 218 Ų | 218 | 142.2 Ų | 142.2 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | | | trans | -50.4 | 154.3 | 178 | -56.9 | 169.2 | 172.6 | 174.8 | -6.6 | 115.7 | | |
| 1363 | R | 37.3 | Very low | 30.4 | Very low | 216 Ų | 216 | 138.5 Ų | 138.5 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | | -146.3 | 107.9 | 126 | -90.2 | 166.1 | -171.9 | 157.1 | 1 | 106.9 | | |
| 1364 | N | 29.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 85 | 77.5 | 73.8 | -75.5 | 26.2 | 0 | 0 | 0 | 113.4 | | |
| 1365 | A | 31.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -123 | 134.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1366 | S | 29.4 | Very low | 30.6 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -109.4 | 103.2 | -167.6 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1367 | E | 29.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 132.6 | 158.1 | -69.3 | -170.9 | 107.7 | 0 | 0 | 110.1 | R705 | R705-E1367 IonicContact CZ-OE1 2.56Å; R705-E1367 IonicContact CZ-OE2 2.74Å; R705-E1367 IonicContact NE-OE1 2.75Å; R705-E1367 VanDerWaalsContact NH1-CD 3.26Å; R705-E1367 IonicContact NH1-OE1 2.68Å; R705-E1367 PolarHBondContact NH1-OE1 2.97Å; R705-E1367 IonicContact NH1-OE2 3.1Å; R705-E1367 PolarHBondContact NH1-OE2 3Å; R705-E1367 IonicContact NH2-OE1 3.18Å; R705-E1367 PolarHBondContact NH2-OE1 3.14Å; R705-E1367 IonicContact NH2-OE2 2.97Å; R705-E1367 PolarHBondContact NH2-OE2 3.49Å |
| 1368 | S | 29.4 | Very low | 30.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.9 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1369 | P | 34 | Very low | 30.4 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.8 | 168.3 | 31.5 | -34 | 0 | 0 | 0 | 110.4 | | |
| 1370 | P | 28.9 | Very low | 30.6 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 137.3 | 166 | 31.7 | -32.6 | 0 | 0 | 0 | 109.7 | | |
| 1371 | L | 32.4 | Very low | 30.4 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | trans | -126.9 | 75.7 | 173.4 | -91.7 | 166.3 | 0 | 0 | 0 | 110.2 | | |
| 1372 | S | 26.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | trans | -99.4 | 95.7 | 157.8 | 46.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1373 | T | 32.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | | | trans | -138.5 | 117.2 | 174.8 | -22.7 | 0 | 0 | 0 | 0 | 110 | | |
| 1374 | Y | 27.7 | Very low | 30.1 | Very low | 212 Ų | 212 | 116.4 Ų | 116.4 | 83% | 0.831 | 69% | 0.688 | S | S | * | * | | | trans | -60 | 144.1 | 164.3 | -95.1 | -122.1 | 0 | 0 | 0 | 110.4 | | |
| 1375 | N | 31.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 115.9 Ų | 115.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | 173.2 | 114.1 | 132.3 | -84 | -22.7 | 0 | 0 | 0 | 107 | | |
| 1376 | A | 28.6 | Very low | 30.3 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 72% | 0.719 | 68% | 0.68 | S | S | * | * | | | | 92.7 | 127.6 | 53.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1377 | A | 28.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 66% | 0.662 | S | S | * | * | | | trans | 64.2 | 148.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1378 | S | 28.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | | | cis | -142 | 166.3 | 11 | -164.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1379 | F | 27 | Very low | 30.3 | Very low | 184 Ų | 184 | 112.7 Ų | 112.7 | 81% | 0.807 | 64% | 0.638 | S | S | * | * | | | trans | -49.2 | 173.3 | 179.4 | -60.6 | -90.2 | 0 | 0 | 0 | 115.9 | | |
| 1380 | N | 30.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 109.9 Ų | 109.9 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | | | cis | -175.9 | 133.6 | 44.5 | 174.7 | 37.2 | 0 | 0 | 0 | 113.4 | N1527 K1528 | N1380-N1527 VanDerWaalsContact C-N 3.25Å; N1380-N1527 CarbonylContact O-C 3.55Å; N1380-N1527 WeakPolarHBondContact O-CA 3.28Å; N1380-N1527 PolarHBondContact O-N 2.94Å; N1380-K1528 PolarHBondContact O-N 2.89Å |
| 1381 | N | 29 | Very low | 30.1 | Very low | 59 Ų | 59 | 111 Ų | 111 | 32% | 0.316 | 63% | 0.631 | S | S | . | * | | | trans | 37 | 132.1 | 154.3 | -69.5 | 53.3 | 0 | 0 | 0 | 129.2 | L1524 F1525 P1526 N1527 | N1381-L1524 PolarHBondContact ND2-O 2.93Å; N1381-F1525 VanDerWaalsContact CA-O 3.28Å; N1381-F1525 WeakPolarHBondContact CA-O 3.2Å; N1381-F1525 PolarHBondContact N-O 3.32Å; N1381-F1525 PolarHBondContact OD1-O 3.14Å; N1381-P1526 VanDerWaalsContact C-CA 3.46Å; N1381-P1526 CarbonylContact C-O 3.51Å; N1381-P1526 VanDerWaalsContact C-O 3.31Å; N1381-P1526 VanDerWaalsContact CA-C 3.48Å; N1381-P1526 VanDerWaalsContact N-CA 3.32Å; N1381-P1526 CarbonylContact O-C 3.59Å; N1381-P1526 VanDerWaalsContact O-C 3.32Å; N1381-N1527 CarbonylContact O-C 2.9Å; N1381-N1527 WeakPolarHBondContact O-CA 3.47Å; N1381-N1527 PolarHBondContact O-N 3.27Å |
| 1382 | N | 33.6 | Very low | 30.1 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | | | trans | 107.3 | 85.3 | 166.8 | -54.8 | -53.6 | 0 | 0 | 0 | 122 | P1526 | N1382-P1526 CarbonylContact C-O 3.44Å; N1382-P1526 WeakPolarHBondContact CA-O 3.42Å; N1382-P1526 PolarHBondContact N-O 3.24Å |
| 1383 | N | 31.7 | Very low | 30.1 | Very low | 87 Ų | 87 | 109 Ų | 109 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | | | | 85 | 141 | 107.1 | -55.8 | -23.1 | 0 | 0 | 0 | 114.1 | F1525 P1526 | N1383-F1525 HydrophobicContact CB-CD1 4.49Å; N1383-F1525 WeakPolarHBondContact OD1-CB 3.29Å; N1383-F1525 VanDerWaalsContact OD1-CD1 3.29Å; N1383-F1525 WeakPolarHBondContact OD1-CD1 3.06Å; N1383-F1525 WeakPolarHBondContact OD1-CG 2.95Å; N1383-P1526 PolarHBondContact N-O 3.35Å |
| 1384 | V | 33.3 | Very low | 30 | Very low | 121 Ų | 121 | 106.9 Ų | 106.9 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | | | | -167.6 | 129.5 | 61.9 | 154.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1385 | I | 32.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 108.9 Ų | 108.9 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | | | trans | 54.9 | 110.3 | 137.3 | -56.6 | -179.4 | 0 | 0 | 0 | 123.4 | | |
| 1386 | K | 31.4 | Very low | 29.9 | Very low | 181 Ų | 181 | 109.5 Ų | 109.5 | 79% | 0.787 | 61% | 0.611 | S | S | * | * | | | trans | 58.4 | 145.6 | 133.5 | -57.7 | 177.3 | -172.2 | 176.4 | 0 | 125.1 | | |
| 1387 | S | 31.8 | Very low | 29.9 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | | | trans | 70.2 | 137.4 | 136.6 | 55.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1388 | S | 27.6 | Very low | 29.8 | Very low | 47 Ų | 47 | 113.5 Ų | 113.5 | 33% | 0.329 | 61% | 0.608 | S | S | . | * | | | trans | 51.7 | 130.6 | 144.6 | 63.7 | 0 | 0 | 0 | 0 | 120.6 | V1404 | S1388-V1404 WeakPolarHBondContact CA-O 3.34Å; S1388-V1404 WeakPolarHBondContact CB-O 3.21Å |
| 1389 | L | 29.4 | Very low | 29.9 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | | | | -149.1 | 170.7 | 61.9 | -112.2 | 88.1 | 0 | 0 | 0 | 114.2 | I1402 Q1403 V1404 | L1389-I1402 HydrophobicContact CD2-CG1 4.18Å; L1389-Q1403 HydrophobicContact CD1-CG 3.85Å; L1389-Q1403 HydrophobicContact CG-CG 3.82Å; L1389-V1404 WeakPolarHBondContact O-CB 3.45Å; L1389-V1404 WeakPolarHBondContact O-CG2 3.18Å |
| 1390 | S | 29.6 | Very low | 30.2 | Very low | 40 Ų | 40 | 112.4 Ų | 112.4 | 28% | 0.28 | 60% | 0.599 | S | S | . | * | | | trans | -107.8 | 163.7 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 113 | I1402 Q1403 V1404 | S1390-I1402 PolarHBondContact OG-O 3.41Å; S1390-I1402 VanDerWaalsContact OG-O 3.12Å; S1390-Q1403 WeakPolarHBondContact OG-CA 3.46Å; S1390-Q1403 PolarHBondContact OG-N 3.42Å; S1390-V1404 PolarHBondContact OG-N 3.05Å |
| 1391 | S | 28.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 112.7 Ų | 112.7 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | | | trans | 70.9 | 152.4 | 159.5 | -140 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1392 | S | 31 | Very low | 30.4 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | | | trans | -43.4 | 134.1 | 171.4 | 51.4 | 0 | 0 | 0 | 0 | 116 | | |
| 1393 | D | 27.2 | Very low | 30.4 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | | | trans | -165.3 | 150.4 | 142.5 | -101.2 | -32.4 | 0 | 0 | 0 | 108 | | |
| 1394 | C | 29.3 | Very low | 30.2 | Very low | 72 Ų | 72 | 115.1 Ų | 115.1 | 49% | 0.486 | 62% | 0.618 | S | S | . | * | | | cis | -163.1 | 119 | -25.5 | -146.4 | 0 | 0 | 0 | 0 | 108.2 | K1396 Q1397 | C1394-K1396 PolarHBondContact O-N 3.08Å; C1394-K1396 PolarHBondContact SG-N 2.8Å; C1394-K1396 VanDerWaalsContact SG-N 3.45Å; C1394-Q1397 PolarHBondContact SG-N 2.91Å |
| 1395 | W | 27.2 | Very low | 30.1 | Very low | 255 Ų | 255 | 115.8 Ų | 115.8 | 97% | 0.966 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -85.8 | 67.7 | 146.7 | -105.2 | 88.6 | 0 | 0 | 0 | 108.2 | | |
| 1396 | K | 30.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 45 | 95.5 | 164.5 | -54.4 | 178.3 | 179.7 | -174.6 | 0 | 113.9 | C1394 | C1394-K1396 PolarHBondContact O-N 3.08Å; C1394-K1396 PolarHBondContact SG-N 2.8Å; C1394-K1396 VanDerWaalsContact SG-N 3.45Å |
| 1397 | Q | 28.7 | Very low | 30 | Very low | 178 Ų | 178 | 109.6 Ų | 109.6 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | | | | -161.3 | 126.2 | 86.9 | -95.4 | 163.6 | -1.9 | 0 | 0 | 114.1 | C1394 | C1394-Q1397 PolarHBondContact SG-N 2.91Š|
| 1398 | S | 27.5 | Very low | 29.8 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | | | trans | 75.2 | 116.7 | 141.8 | -138 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1399 | M | 30.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | | | trans | 77.2 | 81.3 | 152.7 | -57.3 | -63.5 | 174.6 | 0 | 0 | 120.2 | | |
| 1400 | N | 32.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | | | | 60.4 | 109.5 | 119.3 | -63.7 | -13.4 | 0 | 0 | 0 | 120.1 | | |
| 1401 | S | 32.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | | | | 116.8 | 113.3 | 108.7 | 71.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1402 | I | 31.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 54% | 0.538 | 69% | 0.685 | S | S | . | * | | | | 87.9 | 124.1 | 121.1 | -68.5 | 174.8 | 0 | 0 | 0 | 121.2 | L1389 S1390 | L1389-I1402 HydrophobicContact CD2-CG1 4.18Å; S1390-I1402 PolarHBondContact OG-O 3.41Å; S1390-I1402 VanDerWaalsContact OG-O 3.12Å |
| 1403 | Q | 33.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 58% | 0.579 | 69% | 0.687 | S | S | * | * | | | trans | 71 | 96.5 | 154.1 | -71.1 | 164.9 | 16 | 0 | 0 | 124.1 | L1389 S1390 | L1389-Q1403 HydrophobicContact CD1-CG 3.85Å; L1389-Q1403 HydrophobicContact CG-CG 3.82Å; S1390-Q1403 WeakPolarHBondContact OG-CA 3.46Å; S1390-Q1403 PolarHBondContact OG-N 3.42Å |
| 1404 | V | 26.8 | Very low | 30.8 | Very low | 58 Ų | 58 | 137.6 Ų | 137.6 | 35% | 0.352 | 70% | 0.698 | S | S | . | * | | | trans | -63.7 | 156.8 | 141 | 151.1 | 0 | 0 | 0 | 0 | 109.3 | S1388 L1389 S1390 | S1388-V1404 WeakPolarHBondContact CA-O 3.34Å; S1388-V1404 WeakPolarHBondContact CB-O 3.21Å; L1389-V1404 WeakPolarHBondContact O-CB 3.45Å; L1389-V1404 WeakPolarHBondContact O-CG2 3.18Å; S1390-V1404 PolarHBondContact OG-N 3.05Å |
| 1405 | I | 32.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | | | trans | -133.5 | 133.7 | 137.6 | -65.4 | -175.1 | 0 | 0 | 0 | 108.9 | | |
| 1406 | S | 26.7 | Very low | 30.9 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 54% | 0.538 | 70% | 0.702 | S | S | . | * | | | trans | -135.8 | 172.9 | 169.2 | -55.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1407 | P | 34.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | | -116.7 | 172 | -74 | 37.9 | -27.3 | 0 | 0 | 0 | 111.1 | | |
| 1408 | N | 28.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | | | trans | 166.6 | 147.6 | 130.8 | -91.1 | -43.9 | 0 | 0 | 0 | 114.9 | | |
| 1409 | S | 28.6 | Very low | 30.9 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | | | trans | 37.7 | 117.4 | 148.7 | 66.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1410 | M | 34 | Very low | 31 | Very low | 192 Ų | 192 | 136.5 Ų | 136.5 | 95% | 0.946 | 71% | 0.708 | S | S | * | * | | | | -143.8 | 150.7 | 126.3 | -126.7 | -173.2 | -66.9 | 0 | 0 | 112.9 | | |
| 1411 | K | 31.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 70% | 0.7 | 71% | 0.712 | S | S | * | * | | | trans | -74.8 | 141 | -170.4 | -54.2 | 164.1 | -179.3 | 175.9 | 0 | 111.7 | I1522 | K1411-I1522 HydrophobicContact CG-CD1 4.37Š|
| 1412 | R | 34.2 | Very low | 30.9 | Very low | 228 Ų | 228 | 137.7 Ų | 137.7 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | | | trans | -165.1 | 110.4 | 140.8 | -110.2 | 173.2 | -163.8 | -167.1 | 4.2 | 111.4 | | |
| 1413 | P | 31.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | trans | -85.6 | 135.2 | 160.8 | 33.6 | -28.9 | 0 | 0 | 0 | 109.4 | | |
| 1414 | Y | 33.8 | Very low | 30.5 | Very low | 213 Ų | 213 | 135.5 Ų | 135.5 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | -146.8 | 146.8 | 165.5 | -102.4 | -76.2 | 0 | 0 | 0 | 111.9 | | |
| 1415 | H | 27.1 | Very low | 30.9 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | -95.2 | 129.7 | -176.2 | -69.8 | -126.3 | 0 | 0 | 0 | 111.8 | | |
| 1416 | S | 32.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | 179.7 | 121.5 | 149.2 | 46.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1417 | K | 27.8 | Very low | 30.8 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | | | cis | 63.1 | 53.4 | 16.1 | -138.5 | -170.9 | -173 | -168.1 | 0 | 113.9 | | |
| 1418 | T | 29.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 63% | 0.632 | 75% | 0.751 | S | S | * | * | | | trans | -127.2 | 116.7 | 168.9 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1419 | L | 28.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | 34.1 | 133.3 | 143.9 | -45.6 | 175.1 | 0 | 0 | 0 | 118.4 | | |
| 1420 | I | 33.1 | Very low | 30.9 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | | | cis | -136.2 | 131.6 | 20.7 | -64.7 | 172.1 | 0 | 0 | 0 | 107.5 | V1422 | I1420-V1422 HydrophobicContact CG2-CG2 4.04Š|
| 1421 | S | 28.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | 75.8 | 41.8 | 13.6 | -157.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1422 | V | 33.5 | Very low | 30.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | -130.5 | 132.9 | 133.7 | -172.7 | 0 | 0 | 0 | 0 | 104 | I1420 | I1420-V1422 HydrophobicContact CG2-CG2 4.04Š|
| 1423 | G | 30.6 | Very low | 30.3 | Very low | 55 Ų | 55 | 128.5 Ų | 128.5 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | | | cis | 158.2 | 150.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 1424 | N | 26.8 | Very low | 30.2 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 69% | 0.685 | S | S | * | * | | | | 44.8 | 103.4 | 51.3 | -57.8 | 35.2 | 0 | 0 | 0 | 107.9 | | |
| 1425 | H | 33.7 | Very low | 30.5 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | | | cis | -136.4 | 143.3 | 41.7 | -84 | -91.9 | 0 | 0 | 0 | 111.7 | | |
| 1426 | N | 29 | Very low | 30.6 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | | | | 79 | 135.4 | 56.9 | -96.1 | 62.7 | 0 | 0 | 0 | 113.1 | | |
| 1427 | D | 29.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | | | trans | 67.6 | 158.3 | 147.5 | -43.5 | -25 | 0 | 0 | 0 | 119 | | |
| 1428 | S | 33.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | | | trans | 61.3 | 110.3 | -164.3 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1429 | N | 30.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 118 Ų | 118 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | | | cis | 91.8 | 113.9 | 42 | -65.7 | 1.8 | 0 | 0 | 0 | 113.2 | | |
| 1430 | N | 28.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 116.6 Ų | 116.6 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | | | trans | 69 | 139.9 | 159.7 | -56.1 | -1.4 | 0 | 0 | 0 | 118.6 | | |
| 1431 | N | 30.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | | | trans | 69.3 | 139.5 | 161.1 | -52.9 | -3.4 | 0 | 0 | 0 | 116 | | |
| 1432 | T | 31.1 | Very low | 32.7 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | | | cis | -150.3 | 167.1 | -8.7 | -24.5 | 0 | 0 | 0 | 0 | 110.3 | A240 | A240-T1432 HydrophobicContact CB-CG2 4.09Š|
| 1433 | S | 25.2 | Very low | 33 | Very low | 39 Ų | 39 | 116 Ų | 116 | 27% | 0.273 | 64% | 0.639 | S | S | . | * | | | trans | -2.4 | 149.5 | 159.4 | 54.6 | 0 | 0 | 0 | 0 | 123.9 | T237 | T237-S1433 WeakPolarHBondContact CG2-O 3.07Š|
| 1434 | H | 29.8 | Very low | 33 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 29% | 0.287 | 65% | 0.649 | S | S | . | * | | | trans | 69 | 170.2 | 164.3 | -44.8 | -79.9 | 0 | 0 | 0 | 116.6 | | |
| 1435 | F | 39.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 44% | 0.443 | 65% | 0.651 | S | S | . | * | S | Bend | cis | -138.9 | 137.8 | 8.6 | -113 | -109.8 | 0 | 0 | 0 | 107.9 | T237 | T237-F1435 VanDerWaalsContact N-CD2 3.33Š|
| 1436 | R | 29.4 | Very low | 33.1 | Very low | 205 Ų | 205 | 120.7 Ų | 120.7 | 77% | 0.774 | 66% | 0.655 | S | S | * | * | S | Bend | cis | -125.9 | 140.7 | -23.5 | -63.5 | 175.6 | 167.8 | 172.3 | -6 | 104.9 | | |
| 1437 | K | 37.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | S | Bend | cis | -62.8 | 151.5 | 31.4 | -93.8 | -171.6 | 174.4 | 176.1 | 0 | 118.5 | Y687 T1439 | Y687-K1437 HydrophobicContact CE2-CD 4.34Å; Y687-K1437 WeakPolarHBondContact OH-CD 3.34Å; Y687-K1437 VanDerWaalsContact OH-CE 3.24Å; Y687-K1437 WeakPolarHBondContact OH-CE 3.28Å; Y687-K1437 PolarHBondContact OH-NZ 2.77Å; K1437-T1439 PolarHBondContact O-N 3.17Å |
| 1438 | T | 43 | Very low | 33.8 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | | | trans | -71.3 | 106.5 | 152.6 | -46.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1439 | T | 36.1 | Very low | 33.7 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | | | trans | 70.5 | 173.1 | 137.7 | -34.6 | 0 | 0 | 0 | 0 | 119.6 | K1437 | K1437-T1439 PolarHBondContact O-N 3.17Š|
| 1440 | T | 35.6 | Very low | 33.6 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | | | trans | -155.7 | 153.1 | -139 | -29.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1441 | T | 35.5 | Very low | 34.3 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | | | trans | 55.9 | -169.3 | 160.7 | 42.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1442 | T | 35.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | | | cis | -155.5 | 163.5 | 9.4 | -36.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1443 | T | 41.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | | | trans | -146.2 | 137 | 170.8 | 32.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1444 | T | 30.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | | | trans | 45.2 | 125.9 | 150.9 | 58.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1445 | Q | 36 | Very low | 35 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | | -175 | 149.3 | 112.6 | -107.9 | -176.3 | -13.1 | 0 | 0 | 113.8 | | |
| 1446 | L | 27.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | trans | -163.6 | 152.9 | 170.9 | -131.5 | -179.4 | 0 | 0 | 0 | 110.2 | | |
| 1447 | D | 42.7 | Very low | 34.7 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 47% | 0.465 | 72% | 0.72 | S | S | . | * | | | trans | -126 | 145.2 | -174.6 | -48.6 | -86.6 | 0 | 0 | 0 | 112 | | |
| 1448 | S | 30.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | | | trans | -176.6 | 131.7 | 161.4 | -84.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1449 | E | 31.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | trans | -135.4 | 118.8 | 158.4 | -101 | -163.2 | -128 | 0 | 0 | 109.2 | H1489 | E1449-H1489 VanDerWaalsContact OE1-O 3.07Š|
| 1450 | T | 29.4 | Very low | 35.1 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | | | trans | -166.3 | 146.4 | 147 | -17.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1451 | L | 42.1 | Very low | 35.5 | Very low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | | | trans | -102.7 | 126.1 | 173.3 | -96.1 | 167.6 | 0 | 0 | 0 | 111.3 | | |
| 1452 | N | 38.4 | Very low | 35.9 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -156.2 | 144.2 | 133.2 | -138.5 | -21.1 | 0 | 0 | 0 | 114.9 | | |
| 1453 | S | 31.2 | Very low | 35.9 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | -88.2 | 96.7 | 159.8 | 48.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1454 | K | 36.4 | Very low | 35.8 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | trans | -153.8 | 113.3 | 167 | -164.5 | 68.9 | -177.8 | 161.2 | 0 | 113.7 | | |
| 1455 | D | 27.1 | Very low | 36.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | | | trans | 8.8 | 115.9 | 138.9 | -32.3 | -28.9 | 0 | 0 | 0 | 116.4 | | |
| 1456 | G | 31.6 | Very low | 36.2 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | 174.1 | 37.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1457 | N | 30.1 | Very low | 36.7 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | | 48.5 | 108.5 | 99.6 | -85.5 | 16.3 | 0 | 0 | 0 | 112.2 | | |
| 1458 | N | 35.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | | | cis | -158.7 | -178.2 | 17.4 | -79.4 | -54.2 | 0 | 0 | 0 | 111.7 | | |
| 1459 | N | 41.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | trans | 98 | 97.6 | 163.2 | -45.8 | -39.3 | 0 | 0 | 0 | 114.9 | | |
| 1460 | N | 47.6 | Very low | 37.1 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | | 81.2 | 119.7 | 90.2 | -61.3 | -9.5 | 0 | 0 | 0 | 111.9 | | |
| 1461 | D | 44.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | | | cis | -160 | 128 | 12.2 | -106.7 | -72.9 | 0 | 0 | 0 | 112.3 | | |
| 1462 | K | 42.2 | Very low | 37.8 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | 67.6 | 141.3 | 155.2 | -55.5 | 149.7 | -170.8 | 143.1 | 0 | 120.6 | | |
| 1463 | N | 37.2 | Very low | 38.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | cis | -172.6 | 145.1 | -25.3 | -111.1 | 14.8 | 0 | 0 | 0 | 113.2 | | |
| 1464 | N | 39.4 | Very low | 38.9 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | trans | 75.9 | 133.2 | 151.9 | -56.8 | -5.6 | 0 | 0 | 0 | 125.1 | | |
| 1465 | N | 39 | Very low | 39.9 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | | | trans | 68.3 | 149.6 | 148.2 | -67.5 | 0.7 | 0 | 0 | 0 | 121.9 | | |
| 1466 | C | 33.6 | Very low | 41.2 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | | | cis | -170.6 | 149.1 | -15.6 | 179.3 | 0 | 0 | 0 | 0 | 114 | | |
| 1467 | S | 38.2 | Very low | 41.9 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | | | trans | 63.4 | 130.5 | 159.3 | 45.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1468 | T | 38.9 | Very low | 42.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | cis | 96.9 | 153.2 | 27.8 | 64.2 | 0 | 0 | 0 | 0 | 115 | | |
| 1469 | I | 42.5 | Very low | 42.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | | | cis | -164.9 | 167.2 | 13.6 | -123.1 | 150.1 | 0 | 0 | 0 | 106.5 | | |
| 1470 | E | 31.7 | Very low | 41.9 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | cis | -175.6 | -159.1 | -23.5 | -158.3 | 147.1 | -77.3 | 0 | 0 | 110 | | |
| 1471 | Q | 39.9 | Very low | 41.8 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | -146.1 | 165.2 | 178.6 | -70.9 | -166.6 | 12.9 | 0 | 0 | 115.7 | | |
| 1472 | Q | 46.6 | Very low | 42 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | | | trans | 71.5 | 169.7 | 150 | -81.6 | 177.9 | -9.6 | 0 | 0 | 122.6 | | |
| 1473 | Q | 44.1 | Very low | 41.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 45% | 0.453 | 73% | 0.726 | S | S | . | * | | | trans | 142 | -177.5 | 141.7 | -66.9 | -72.4 | -17.5 | 0 | 0 | 117.6 | V1491 V1492 | Q1473-V1491 WeakPolarHBondContact CG-O 3.44Å; Q1473-V1491 VanDerWaalsContact NE2-C 3.33Å; Q1473-V1491 PolarHBondContact NE2-O 2.87Å; Q1473-V1491 VanDerWaalsContact NE2-O 3.09Å; Q1473-V1492 HydrophobicContact CB-CB 3.85Å; Q1473-V1492 HydrophobicContact CB-CG2 4.5Å; Q1473-V1492 VanDerWaalsContact CD-N 3.27Å; Q1473-V1492 HydrophobicContact CG-CB 3.61Å; Q1473-V1492 HydrophobicContact CG-CG2 3.97Å; Q1473-V1492 PolarHBondContact OE1-O 2.77Å |
| 1474 | N | 49.5 | Very low | 41.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | | | trans | -139.1 | 158.6 | -137.2 | -168.4 | 18.3 | 0 | 0 | 0 | 118.7 | | |
| 1475 | V | 56.1 | Low | 41 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | | | trans | -157.6 | 141.6 | -173.6 | -173.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1476 | D | 54.9 | Low | 40.7 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | | | trans | 66.2 | 129 | 153.8 | -78.8 | -38.8 | 0 | 0 | 0 | 130.3 | | |
| 1477 | Q | 45.5 | Very low | 40.7 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | | | trans | 54.2 | 130.1 | 132.2 | -64.6 | 173.4 | 52 | 0 | 0 | 128.7 | | |
| 1478 | T | 34.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | | | trans | 106.3 | 105.4 | 140.2 | -52.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1479 | V | 35 | Very low | 39.8 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | | | trans | 42.8 | 120.2 | 141 | -175.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1480 | G | 38.2 | Very low | 39.3 | Very low | 52 Ų | 52 | 127.6 Ų | 127.6 | 54% | 0.536 | 69% | 0.685 | S | S | . | * | | | trans | 156.5 | 60.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | H1482 | G1480-H1482 PolarHBondContact O-N 2.83Š|
| 1481 | G | 46.1 | Very low | 39.2 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 64 | 30.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1482 | H | 48.4 | Very low | 38.7 | Very low | 172 Ų | 172 | 119.8 Ų | 119.8 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | | | trans | -140.3 | 99.2 | -176.4 | -100 | -90.8 | 0 | 0 | 0 | 110.2 | G1480 | G1480-H1482 PolarHBondContact O-N 2.83Š|
| 1483 | Y | 27.7 | Very low | 37.8 | Very low | 184 Ų | 184 | 119.7 Ų | 119.7 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | | | trans | -149.3 | 159.5 | 179.6 | -71.9 | -76.8 | 0 | 0 | 0 | 107.9 | | |
| 1484 | E | 34.2 | Very low | 37 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | | | cis | -158.4 | 166 | 23.5 | -130 | 138.3 | -123.7 | 0 | 0 | 110.2 | | |
| 1485 | Q | 36.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 48% | 0.481 | 67% | 0.672 | S | S | . | * | | | trans | 64.8 | 154.5 | 152.3 | -70.7 | 175.7 | 17 | 0 | 0 | 120.3 | E1498 E1499 | Q1485-E1498 PolarHBondContact NE2-O 3.18Å; Q1485-E1499 PolarHBondContact NE2-O 2.88Å |
| 1486 | N | 33 | Very low | 34.9 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | | | cis | -152.3 | 155.4 | -3.2 | -117.7 | -27.7 | 0 | 0 | 0 | 110.8 | | |
| 1487 | A | 33.6 | Very low | 34 | Very low | 84 Ų | 84 | 123.3 Ų | 123.3 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | | | trans | 50.8 | 110.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1488 | N | 28.7 | Very low | 33.6 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | | | cis | 57.6 | 137.5 | 26 | -51.8 | -29.5 | 0 | 0 | 0 | 113.5 | | |
| 1489 | H | 28.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 54% | 0.542 | 67% | 0.669 | S | S | . | * | | | cis | -157.1 | 163.9 | 44.6 | -104.5 | -69.7 | 0 | 0 | 0 | 110.7 | E1449 | E1449-H1489 VanDerWaalsContact OE1-O 3.07Š|
| 1490 | N | 31.2 | Very low | 33.8 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 54% | 0.535 | 66% | 0.66 | S | S | . | * | | | cis | 177.8 | 178.3 | 34.9 | -129.3 | -21.4 | 0 | 0 | 0 | 107.9 | | |
| 1491 | V | 29.9 | Very low | 33.7 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | S | Bend | cis | -140.2 | 130.8 | -0.6 | -168 | 0 | 0 | 0 | 0 | 108.2 | Q1473 | Q1473-V1491 WeakPolarHBondContact CG-O 3.44Å; Q1473-V1491 VanDerWaalsContact NE2-C 3.33Å; Q1473-V1491 PolarHBondContact NE2-O 2.87Å; Q1473-V1491 VanDerWaalsContact NE2-O 3.09Å |
| 1492 | V | 29.8 | Very low | 33.1 | Very low | 79 Ų | 79 | 132 Ų | 132 | 48% | 0.479 | 66% | 0.663 | S | S | . | * | | | | -174.3 | 95.2 | 113.4 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | Q1473 | Q1473-V1492 HydrophobicContact CB-CB 3.85Å; Q1473-V1492 HydrophobicContact CB-CG2 4.5Å; Q1473-V1492 VanDerWaalsContact CD-N 3.27Å; Q1473-V1492 HydrophobicContact CG-CB 3.61Å; Q1473-V1492 HydrophobicContact CG-CG2 3.97Å; Q1473-V1492 PolarHBondContact OE1-O 2.77Å |
| 1493 | K | 29.1 | Very low | 32.6 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 70% | 0.7 | 65% | 0.652 | S | S | * | * | | | trans | 42.3 | 131.8 | 139.3 | -57 | 169.1 | -178.6 | 171.9 | 0 | 117.3 | | |
| 1494 | I | 26.8 | Very low | 32.8 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | | | | -152.6 | 116.5 | 60.9 | -73 | 149.8 | 0 | 0 | 0 | 112.4 | | |
| 1495 | N | 29.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | | | trans | 62.8 | 124.3 | 144 | -56.2 | -4.5 | 0 | 0 | 0 | 125.7 | | |
| 1496 | L | 32.3 | Very low | 32.9 | Very low | 159 Ų | 159 | 128 Ų | 128 | 83% | 0.832 | 64% | 0.642 | S | S | * | * | | | trans | 102.9 | 114.4 | 143.3 | -59.6 | 142.5 | 0 | 0 | 0 | 123.7 | | |
| 1497 | T | 35.5 | Very low | 33 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | | | trans | 77.4 | 159.7 | 150.2 | 56.7 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1498 | E | 37 | Very low | 33 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | | | | -171.4 | 165.8 | -61 | -115.5 | 74.7 | -81.3 | 0 | 0 | 114.4 | Q1485 | Q1485-E1498 PolarHBondContact NE2-O 3.18Š|
| 1499 | E | 36.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 130 Ų | 130 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | | | trans | 51.3 | 148.9 | 157.6 | -66.5 | 174.9 | -165.2 | 0 | 0 | 125.5 | Q1485 | Q1485-E1499 PolarHBondContact NE2-O 2.88Š|
| 1500 | Q | 36.6 | Very low | 33.5 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 64% | 0.64 | 64% | 0.641 | S | S | * | * | | | cis | 179.9 | 147.6 | -11.8 | 173.9 | 166.8 | -41.1 | 0 | 0 | 115.8 | | |
| 1501 | E | 36.1 | Very low | 33.7 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | | | trans | 65.7 | 165.4 | 158.7 | -80.2 | -172 | -92.3 | 0 | 0 | 125.2 | | |
| 1502 | H | 34.4 | Very low | 33.8 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 70% | 0.704 | 65% | 0.646 | S | S | * | * | | | cis | -172.9 | 179.6 | -34.2 | -153.2 | 27.3 | 0 | 0 | 0 | 116.6 | | |
| 1503 | E | 37 | Very low | 34 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | | | trans | 71.2 | 167.8 | 162.4 | -58 | -77 | 65.6 | 0 | 0 | 124.5 | | |
| 1504 | R | 33.4 | Very low | 34.3 | Very low | 176 Ų | 176 | 125 Ų | 125 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | | | | -171.7 | 157.8 | -60.9 | -140.8 | -156.9 | -65.9 | 165.9 | 5.2 | 118.3 | | |
| 1505 | E | 35.4 | Very low | 34.6 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | | | trans | 85 | 122.1 | 141.9 | -97.9 | 175.8 | -148.6 | 0 | 0 | 129.7 | | |
| 1506 | K | 36.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | | | | 127.6 | 105 | 117.5 | -96.8 | 160.1 | -178.3 | 155.4 | 0 | 125.5 | D611 S612 | D611-K1506 VanDerWaalsContact OD1-C 3.31Å; D611-K1506 PolarHBondContact OD2-N 3.08Å; S612-K1506 VanDerWaalsContact CB-C 3.41Å; S612-K1506 VanDerWaalsContact CB-O 3.26Å; S612-K1506 WeakPolarHBondContact CB-O 3.19Å; S612-K1506 PolarHBondContact OG-O 2.79Å |
| 1507 | Q | 34.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 119 Ų | 119 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | | | | 54.3 | 148.2 | 124.8 | -61.1 | 179.6 | 2 | 0 | 0 | 123.8 | D611 S612 | D611-Q1507 PolarHBondContact OD1-N 3.39Å; S612-Q1507 WeakPolarHBondContact CB-O 3.35Å |
| 1508 | L | 34.3 | Very low | 34.6 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | | | cis | -174.6 | 153.8 | -3.7 | -108.5 | 170 | 0 | 0 | 0 | 116.1 | T613 | T613-L1508 PolarHBondContact O-N 2.91Å; T613-L1508 PolarHBondContact OG1-O 3.49Å |
| 1509 | F | 32 | Very low | 34.5 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 67% | 0.671 | 61% | 0.61 | S | S | * | * | | | trans | 67.6 | 174.2 | 163.1 | -89.3 | -151.8 | 0 | 0 | 0 | 119.8 | T613 | T613-F1509 WeakPolarHBondContact CB-O 3.07Å; T613-F1509 PolarHBondContact OG1-N 3.17Å; T613-F1509 VanDerWaalsContact OG1-N 3.16Å; T613-F1509 PolarHBondContact OG1-O 3.27Å |
| 1510 | V | 36.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | | | cis | -150.8 | -165.9 | 24 | -139.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1511 | N | 34.3 | Very low | 34 | Very low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | | | trans | -145 | -179.9 | -166.3 | -64.2 | 90.7 | 0 | 0 | 0 | 112.5 | | |
| 1512 | S | 32.7 | Very low | 33.8 | Very low | 81 Ų | 81 | 114.6 Ų | 114.6 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | | | cis | -176.3 | 167.6 | -16.8 | -93.4 | 0 | 0 | 0 | 0 | 107.9 | D594 | D594-S1512 PolarHBondContact OD2-OG 2.65Š|
| 1513 | T | 34.9 | Very low | 33.6 | Very low | 64 Ų | 64 | 111.9 Ų | 111.9 | 39% | 0.393 | 61% | 0.611 | S | S | . | * | | | cis | -158.5 | -103.1 | -3.5 | 32.7 | 0 | 0 | 0 | 0 | 118 | L592 | L592-T1513 HydrophobicContact CB-CG2 3.5Å; L592-T1513 VanDerWaalsContact CB-CG2 3.5Å; L592-T1513 WeakPolarHBondContact CB-OG1 3.33Å; L592-T1513 HydrophobicContact CD2-CG2 4.03Å; L592-T1513 HydrophobicContact CG-CG2 4.42Å; L592-T1513 PolarHBondContact N-OG1 2.65Å; L592-T1513 PolarHBondContact O-OG1 3.19Å; L592-T1513 VanDerWaalsContact O-OG1 3.04Å |
| 1514 | T | 34.3 | Very low | 33.4 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 33% | 0.325 | 62% | 0.616 | S | S | . | * | | | trans | -144.5 | 179.6 | -147.1 | 59.6 | 0 | 0 | 0 | 0 | 122.6 | V590 L592 | V590-T1514 CarbonylContact C-O 3.31Å; V590-T1514 VanDerWaalsContact C-O 3.23Å; V590-T1514 PolarHBondContact N-O 2.98Å; L592-T1514 HydrophobicContact CB-CG2 4.19Å; L592-T1514 WeakPolarHBondContact CB-OG1 3.45Å; L592-T1514 PolarHBondContact N-OG1 2.86Å |
| 1515 | T | 33 | Very low | 33.2 | Very low | 74 Ų | 74 | 109.4 Ų | 109.4 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | | | | 129.7 | 121.4 | 117 | 5.2 | 0 | 0 | 0 | 0 | 125.3 | P591 | P591-T1515 PolarHBondContact O-OG1 3.06Š|
| 1516 | T | 32.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 73% | 0.73 | 61% | 0.606 | S | S | * | * | | | trans | 79.2 | 142.1 | 137.9 | 31.1 | 0 | 0 | 0 | 0 | 130.6 | | |
| 1517 | T | 33.2 | Very low | 32.7 | Very low | 120 Ų | 120 | 107.6 Ų | 107.6 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | | | trans | 66.1 | 119.6 | 148.1 | 47.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1518 | T | 31.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 73% | 0.73 | 62% | 0.618 | S | S | * | * | | | | 71.1 | 129.7 | 66.9 | 66.4 | 0 | 0 | 0 | 0 | 116 | | |
| 1519 | T | 33.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 111.1 Ų | 111.1 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | | | | -178 | 158.7 | 66.2 | 44.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1520 | N | 32.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 75% | 0.754 | 63% | 0.63 | S | S | * | * | | | trans | 62.7 | 104.8 | 137 | -62.7 | -8.7 | 0 | 0 | 0 | 126.9 | | |
| 1521 | S | 30.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | | | | 50.8 | 135.5 | 121.5 | 70.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 1522 | I | 33 | Very low | 31.7 | Very low | 128 Ų | 128 | 116.8 Ų | 116.8 | 66% | 0.656 | 64% | 0.636 | S | S | * | * | | | | -175.6 | 159.5 | 119.5 | -95.4 | 161.1 | 0 | 0 | 0 | 112.4 | K1411 | K1411-I1522 HydrophobicContact CG-CD1 4.37Š|
| 1523 | S | 28.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | | | trans | -67.3 | 166.4 | -171.1 | 57 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1524 | L | 33.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | | | trans | -178.7 | 110.7 | 130.8 | -89.4 | 152.6 | 0 | 0 | 0 | 115.2 | N1381 | N1381-L1524 PolarHBondContact ND2-O 2.93Š|
| 1525 | F | 30 | Very low | 31.5 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 51% | 0.509 | 68% | 0.684 | S | S | . | * | | | trans | 69.1 | 166.3 | 152.7 | -74.8 | -91.1 | 0 | 0 | 0 | 126.3 | N1381 N1383 | N1381-F1525 VanDerWaalsContact CA-O 3.28Å; N1381-F1525 WeakPolarHBondContact CA-O 3.2Å; N1381-F1525 PolarHBondContact N-O 3.32Å; N1381-F1525 PolarHBondContact OD1-O 3.14Å; N1383-F1525 HydrophobicContact CB-CD1 4.49Å; N1383-F1525 WeakPolarHBondContact OD1-CB 3.29Å; N1383-F1525 VanDerWaalsContact OD1-CD1 3.29Å; N1383-F1525 WeakPolarHBondContact OD1-CD1 3.06Å; N1383-F1525 WeakPolarHBondContact OD1-CG 2.95Å |
| 1526 | P | 32.9 | Very low | 31.6 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 45% | 0.448 | 71% | 0.707 | S | S | . | * | | | trans | -135.2 | 145.5 | -175.3 | 41.1 | -23.5 | 0 | 0 | 0 | 119.6 | N1381 N1382 N1383 | N1381-P1526 VanDerWaalsContact C-CA 3.46Å; N1381-P1526 CarbonylContact C-O 3.51Å; N1381-P1526 VanDerWaalsContact C-O 3.31Å; N1381-P1526 VanDerWaalsContact CA-C 3.48Å; N1381-P1526 VanDerWaalsContact N-CA 3.32Å; N1381-P1526 CarbonylContact O-C 3.59Å; N1381-P1526 VanDerWaalsContact O-C 3.32Å; N1382-P1526 CarbonylContact C-O 3.44Å; N1382-P1526 WeakPolarHBondContact CA-O 3.42Å; N1382-P1526 PolarHBondContact N-O 3.24Å; N1383-P1526 PolarHBondContact N-O 3.35Å |
| 1527 | N | 27.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | | | trans | 119.5 | 79.1 | 174.1 | -66.8 | -39.8 | 0 | 0 | 0 | 123.7 | N1380 N1381 | N1380-N1527 VanDerWaalsContact C-N 3.25Å; N1380-N1527 CarbonylContact O-C 3.55Å; N1380-N1527 WeakPolarHBondContact O-CA 3.28Å; N1380-N1527 PolarHBondContact O-N 2.94Å; N1381-N1527 CarbonylContact O-C 2.9Å; N1381-N1527 WeakPolarHBondContact O-CA 3.47Å; N1381-N1527 PolarHBondContact O-N 3.27Å |
| 1528 | K | 31.1 | Very low | 31.7 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | | | trans | -173.4 | 104.9 | 135.2 | -104.1 | 159.3 | -173.1 | 178.6 | 0 | 116.5 | N1380 | N1380-K1528 PolarHBondContact O-N 2.89Š|
| 1529 | I | 29.7 | Very low | 31.9 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | | 60.3 | 104.5 | 115.8 | -65 | 176.4 | 0 | 0 | 0 | 120.1 | | |
| 1530 | R | 28.4 | Very low | 32.1 | Very low | 199 Ų | 199 | 150 Ų | 150 | 75% | 0.751 | 73% | 0.726 | S | S | * | * | | | | 61.8 | 113.4 | 124.4 | -174.3 | -170 | 179.9 | 176.1 | 1.4 | 119.8 | | |
| 1531 | M | 31.5 | Very low | 32.3 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | | | | -159 | 148.6 | 106 | -98.6 | -51.1 | -176.5 | 0 | 0 | 112.8 | | |
| 1532 | Q | 30.3 | Very low | 32.6 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | -72.7 | 148.1 | -177.9 | -59.9 | 164.3 | -56.5 | 0 | 0 | 112.8 | | |
| 1533 | H | 33.4 | Very low | 32.7 | Very low | 197 Ų | 197 | 159.2 Ų | 159.2 | 91% | 0.912 | 75% | 0.746 | S | S | * | * | | | trans | -145.6 | 156.1 | 131.8 | -146.5 | -96.7 | 0 | 0 | 0 | 111.9 | | |
| 1534 | E | 31.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 163.7 Ų | 163.7 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | | | trans | -101.3 | 130.5 | -155.6 | -168.7 | 174.3 | 178.9 | 0 | 0 | 114.9 | R1536 K1537 | E1534-R1536 PolarHBondContact O-N 3Å; E1534-K1537 IonicContact OE1-NZ 3.61Å; E1534-K1537 PolarHBondContact OE1-NZ 3.04Å |
| 1535 | S | 33.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 163 Ų | 163 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -77.4 | 110.8 | 174.9 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | K1537 | S1535-K1537 PolarHBondContact O-N 2.73Å; S1535-K1537 VanDerWaalsContact O-N 3.16Å |
| 1536 | R | 34.4 | Very low | 33.2 | Very low | 246 Ų | 246 | 162.6 Ų | 162.6 | 93% | 0.928 | 77% | 0.771 | S | S | * | * | | | trans | -39.9 | 109.5 | -174.5 | -73.6 | 173.5 | 163 | 170.2 | -5.9 | 115.4 | E1534 R1538 | E1534-R1536 PolarHBondContact O-N 3Å; R1536-R1538 PolarHBondContact O-N 3.49Å |
| 1537 | K | 35 | Very low | 33.2 | Very low | 167 Ų | 167 | 165.9 Ų | 165.9 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 116.7 | 163.3 | -62.2 | 173.3 | -174 | 113.2 | 0 | 110 | E1534 S1535 | E1534-K1537 IonicContact OE1-NZ 3.61Å; E1534-K1537 PolarHBondContact OE1-NZ 3.04Å; S1535-K1537 PolarHBondContact O-N 2.73Å; S1535-K1537 VanDerWaalsContact O-N 3.16Å |
| 1538 | R | 33.6 | Very low | 33.5 | Very low | 247 Ų | 247 | 167.8 Ų | 167.8 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 145 | 174 | -121.5 | 174.8 | 176.1 | 178.3 | -2 | 111.1 | R1536 | R1536-R1538 PolarHBondContact O-N 3.49Š|
| 1539 | L | 35.7 | Very low | 33.4 | Very low | 160 Ų | 160 | 166.2 Ų | 166.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65 | 139.3 | -157.3 | -79.4 | 64.9 | 0 | 0 | 0 | 115.7 | | |
| 1540 | K | 37.7 | Very low | 33.5 | Very low | 186 Ų | 186 | 165.5 Ų | 165.5 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 125.6 | 149.4 | -75.2 | -179.6 | 177.5 | 175.5 | 0 | 109 | H1542 | K1540-H1542 PolarHBondContact O-N 3.43Å; K1540-H1542 VanDerWaalsContact O-N 3.11Å |
| 1541 | K | 36.6 | Very low | 33.6 | Very low | 209 Ų | 209 | 167.3 Ų | 167.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -72.3 | 100.1 | 165.4 | -83.8 | -172.9 | 173.2 | -179.3 | 0 | 110.1 | Q1543 | K1541-Q1543 PolarHBondContact O-N 3.5Š|
| 1542 | H | 36.8 | Very low | 33.8 | Very low | 163 Ų | 163 | 166.6 Ų | 166.6 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -74.5 | 112.3 | 156.6 | -91 | -92.7 | 0 | 0 | 0 | 108.8 | K1540 K1544 | K1540-H1542 PolarHBondContact O-N 3.43Å; K1540-H1542 VanDerWaalsContact O-N 3.11Å; H1542-K1544 PolarHBondContact O-N 3.36Å |
| 1543 | Q | 35.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 165.7 Ų | 165.7 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | -90.9 | 87.9 | 168.1 | -170.1 | 164.8 | -6.8 | 0 | 0 | 108.5 | K1541 S1545 | K1541-Q1543 PolarHBondContact O-N 3.5Å; Q1543-S1545 PolarHBondContact O-N 3.21Å |
| 1544 | K | 37.2 | Very low | 33.8 | Very low | 190 Ų | 190 | 166 Ų | 166 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -70 | 112.8 | 169.1 | -73.4 | -175.8 | 176.3 | -177.7 | 0 | 108.6 | H1542 S1546 | H1542-K1544 PolarHBondContact O-N 3.36Å; K1544-S1546 PolarHBondContact O-N 3.12Å |
| 1545 | S | 33.6 | Very low | 34 | Very low | 116 Ų | 116 | 165.5 Ų | 165.5 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | trans | -77 | 107 | 160.7 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | Q1543 | Q1543-S1545 PolarHBondContact O-N 3.21Š|
| 1546 | S | 31.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 165.8 Ų | 165.8 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121.5 | 172.6 | -166.6 | 0 | 0 | 0 | 0 | 109.4 | K1544 | K1544-S1546 PolarHBondContact O-N 3.12Š|
| 1547 | T | 33.7 | Very low | 34.4 | Very low | 138 Ų | 138 | 160 Ų | 160 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 133.4 | 154.3 | 19.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1548 | L | 32.5 | Very low | 34.2 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 162.7 | -178.1 | -148.4 | 75.6 | 0 | 0 | 0 | 111 | | |
| 1549 | T | 29.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -51 | 139.8 | 173.6 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1550 | C | 32.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | | -141 | 140.3 | 126.8 | -101.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1551 | R | 29.9 | Very low | 34.1 | Very low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -136.3 | 89.8 | -168.9 | -178.6 | -171.4 | -175.1 | 176.1 | 2 | 109.1 | | |
| 1552 | T | 35 | Very low | 34 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -129.8 | 119.5 | 176.8 | -41.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1553 | L | 30.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -77.3 | 150.5 | 168.4 | -56.7 | 112 | 0 | 0 | 0 | 108.6 | | |
| 1554 | F | 33.1 | Very low | 33.7 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | | | | -168.4 | 162.4 | 119.9 | -101.6 | -66.4 | 0 | 0 | 0 | 111 | | |
| 1555 | T | 35.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -75 | 154.9 | -160.4 | 38.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1556 | P | 37.7 | Very low | 33.5 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -86.2 | 166.2 | 171.2 | 37.7 | -35.9 | 0 | 0 | 0 | 112.4 | | |
| 1557 | P | 37.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -118.9 | 139.5 | 144.6 | 34.8 | -26.3 | 0 | 0 | 0 | 112.4 | | |
| 1558 | S | 30.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -56.8 | 146.6 | 167.8 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1559 | Y | 35.3 | Very low | 33.7 | Very low | 232 Ų | 232 | 150 Ų | 150 | 91% | 0.91 | 78% | 0.777 | S | S | * | * | | | | -150.8 | 141.8 | 124.1 | -102.7 | -69.6 | 0 | 0 | 0 | 111.5 | | |
| 1560 | S | 32.3 | Very low | 33.8 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -84.6 | 153 | -174.3 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1561 | I | 37.5 | Very low | 33.8 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | | -162.3 | 145.2 | 111.5 | -95.6 | 151.7 | 0 | 0 | 0 | 110.5 | | |
| 1562 | D | 36 | Very low | 34 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | | | trans | -54 | 154.8 | -166.3 | -92.2 | -34.6 | 0 | 0 | 0 | 120.8 | | |
| 1563 | K | 33.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | 47.2 | 127.2 | 133.8 | -54.5 | 157.6 | -170.4 | 145.1 | 0 | 118.3 | | |
| 1564 | Y | 32.2 | Very low | 34.1 | Very low | 206 Ų | 206 | 154.9 Ų | 154.9 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | cis | -135.7 | 130.5 | 21.7 | -80.5 | -104.1 | 0 | 0 | 0 | 112.2 | | |
| 1565 | I | 33.8 | Very low | 34 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -98.8 | 106.8 | 160.7 | -61.7 | 176.1 | 0 | 0 | 0 | 107.4 | P1567 | I1565-P1567 VanDerWaalsContact O-CD 3.3Å; I1565-P1567 WeakPolarHBondContact O-CD 3.42Å |
| 1566 | I | 33.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 116 | 175.3 | -61.1 | 176.6 | 0 | 0 | 0 | 108.7 | R1568 | I1566-R1568 PolarHBondContact O-N 2.98Š|
| 1567 | P | 34.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 155.2 Ų | 155.2 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.9 | 174.1 | 29.7 | -32.8 | 0 | 0 | 0 | 109.3 | I1565 P1569 | I1565-P1567 VanDerWaalsContact O-CD 3.3Å; I1565-P1567 WeakPolarHBondContact O-CD 3.42Å; P1567-P1569 VanDerWaalsContact O-CD 3.22Å; P1567-P1569 WeakPolarHBondContact O-CD 3.44Å |
| 1568 | R | 31.9 | Very low | 32.8 | Very low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118.5 | 173.6 | -80.1 | -169.3 | 173 | -168.6 | -1.7 | 109.5 | I1566 | I1566-R1568 PolarHBondContact O-N 2.98Š|
| 1569 | P | 34.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 156.6 Ų | 156.6 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 135.2 | -172.1 | -24 | 35.8 | 0 | 0 | 0 | 113.3 | P1567 L1571 | P1567-P1569 VanDerWaalsContact O-CD 3.22Å; P1567-P1569 WeakPolarHBondContact O-CD 3.44Å; P1569-L1571 HydrophobicContact CB-CD1 4.36Å; P1569-L1571 HydrophobicContact CB-CG 4.06Å; P1569-L1571 PolarHBondContact O-N 3.49Å; P1569-L1571 VanDerWaalsContact O-N 3.11Å |
| 1570 | V | 32 | Very low | 32.5 | Very low | 152 Ų | 152 | 151 Ų | 151 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -80 | 86.7 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1571 | L | 33.3 | Very low | 32.4 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 140.8 | -179.1 | -76.2 | 168.8 | 0 | 0 | 0 | 113 | P1569 | P1569-L1571 HydrophobicContact CB-CD1 4.36Å; P1569-L1571 HydrophobicContact CB-CG 4.06Å; P1569-L1571 PolarHBondContact O-N 3.49Å; P1569-L1571 VanDerWaalsContact O-N 3.11Å |
| 1572 | P | 33.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 153 Ų | 153 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 157.7 | -172.9 | 33.4 | -36.6 | 0 | 0 | 0 | 113.5 | R1574 | P1572-R1574 PolarHBondContact O-N 3.45Š|
| 1573 | R | 32.3 | Very low | 32.1 | Very low | 225 Ų | 225 | 154 Ų | 154 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.3 | 170.9 | -80.7 | -172.6 | 169.5 | 100.3 | 7.1 | 111.7 | | |
| 1574 | R | 35.5 | Very low | 31.9 | Very low | 236 Ų | 236 | 154.8 Ų | 154.8 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | trans | -132.9 | 172.5 | 155.6 | -73.9 | -166 | 171.1 | -159.7 | -0.7 | 110.4 | P1572 | P1572-R1574 PolarHBondContact O-N 3.45Š|
| 1575 | H | 30.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -102.2 | 158 | -171.9 | -63.4 | -115.1 | 0 | 0 | 0 | 111.7 | | |
| 1576 | S | 29.6 | Very low | 31.8 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | 65.1 | 152.5 | 169.9 | -93.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1577 | M | 27.6 | Very low | 31.7 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | cis | -155.6 | -173.5 | -15.1 | -142.5 | 175.9 | 74.3 | 0 | 0 | 108.9 | | |
| 1578 | L | 30.3 | Very low | 31.5 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | 70 | 173.4 | 168.5 | -66.9 | 162.7 | 0 | 0 | 0 | 116.5 | | |
| 1579 | A | 29.4 | Very low | 31.5 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -145 | 174.2 | -152.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1580 | S | 29.7 | Very low | 31.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | 69.3 | 152.6 | 177.7 | -124.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1581 | S | 29.7 | Very low | 31.4 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 57% | 0.573 | 78% | 0.783 | S | S | * | * | | | cis | -170.2 | 148.9 | -21.8 | 32.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1582 | Y | 34.4 | Very low | 31.5 | Very low | 226 Ų | 226 | 147 Ų | 147 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | | | trans | -143.5 | 98.8 | 166.6 | -92.6 | -73.3 | 0 | 0 | 0 | 113.8 | | |
| 1583 | N | 32.1 | Very low | 31.5 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | 21.6 | 136.6 | 138.4 | -53 | -9.8 | 0 | 0 | 0 | 121.1 | | |
| 1584 | L | 30.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | | -164.5 | 152.9 | 117.6 | -113.6 | 157 | 0 | 0 | 0 | 112.6 | | |
| 1585 | V | 32.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | 83.5 | 100.7 | 169.8 | -169.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1586 | V | 31.8 | Very low | 31.8 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | | 45 | 130.2 | 122.6 | -178.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1587 | S | 30 | Very low | 31.9 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | cis | -155.5 | 159.9 | 18.3 | -134.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1588 | D | 30.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | 65.6 | 142.5 | 146.3 | -56.5 | -44.6 | 0 | 0 | 0 | 125.5 | | |
| 1589 | Y | 31.3 | Very low | 32.2 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 93% | 0.929 | 79% | 0.788 | S | S | * | * | | | trans | 62.7 | 128.5 | 168.6 | -64.5 | -74.7 | 0 | 0 | 0 | 121.3 | | |
| 1590 | G | 33.9 | Very low | 32.4 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 119.2 | 66.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1591 | F | 30.6 | Very low | 32.6 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | -69.4 | 157.9 | 157 | -85.5 | -113.2 | 0 | 0 | 0 | 109.4 | | |
| 1592 | T | 35.2 | Very low | 32.8 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | cis | -156.6 | 142.1 | 48.2 | 44.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1593 | H | 35.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | 55.2 | 101.7 | 142.3 | -67.9 | -69.7 | 0 | 0 | 0 | 123.3 | | |
| 1594 | L | 34.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -79.8 | 162.6 | 137.1 | -108.6 | 163.7 | 0 | 0 | 0 | 109.2 | | |
| 1595 | P | 35.9 | Very low | 32.9 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | | -152.4 | 149.4 | 69.5 | 40 | -20 | 0 | 0 | 0 | 118.7 | | |
| 1596 | H | 33.8 | Very low | 32.9 | Very low | 238 Ų | 238 | 149.7 Ų | 149.7 | 100% | 1.102 | 80% | 0.803 | S | S | * | * | | | | -148.8 | 0 | 106.2 | -149 | -44.1 | 0 | 0 | 0 | 110.7 | | |