| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.4 | Very low | 31.3 | Very low | 229 Ų | 229 | 132.7 Ų | 132.7 | 100% | 1.128 | 77% | 0.766 | S | S | * | * | 0 | 134.7 | 0 | -86 | 167.9 | 169 | 0 | 0 | 107.2 | |||||
| 2 | F | 26.5 | Very low | 31.9 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | 52.8 | 123 | 84.6 | -73.1 | -102.5 | 0 | 0 | 0 | 110.9 | |||||
| 3 | T | 29.9 | Very low | 32.1 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | cis | -168.1 | 150.4 | 7.6 | -0.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | T | 30.2 | Very low | 32.2 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | 38.6 | 150.7 | 145.5 | 53.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 5 | S | 30.1 | Very low | 31.9 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | cis | -176 | 119.7 | -18.9 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 6 | S | 33.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 11.7 | 146.1 | 139.6 | 54.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 7 | T | 34.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | cis | -179 | 144 | -30.3 | 15.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | N | 30.5 | Very low | 31 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 83 | 112.6 | 153.8 | -60.5 | 3.6 | 0 | 0 | 0 | 123.7 | ||||
| 9 | S | 34.9 | Very low | 30.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 54.7 | 113.3 | 140.1 | 59.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 10 | D | 28.4 | Very low | 30.5 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 56% | 0.561 | 77% | 0.773 | S | S | * | * | trans | -169.1 | 152.6 | 154.5 | -153.4 | -16.3 | 0 | 0 | 0 | 112.2 | Q28 | D10-Q28 PolarHBondContact OD2-N 2.71Š| ||
| 11 | T | 37.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -158.8 | 120.8 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 12 | T | 38.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 62.1 | 101 | 142.4 | 58.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 13 | T | 34.6 | Very low | 30 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | 25.4 | 159.3 | 120.3 | 57.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 14 | P | 33.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | -134.7 | -166.2 | -18.1 | 41.6 | -21.3 | 0 | 0 | 0 | 112.9 | ||||
| 15 | P | 27.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -102.7 | 141.3 | -171 | 37.1 | -31.7 | 0 | 0 | 0 | 117.3 | ||||
| 16 | S | 29.5 | Very low | 29.6 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | 172.9 | 152.1 | 134.9 | 49 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 17 | S | 25.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 50.1 | 109.5 | 162 | -63.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 18 | V | 24.7 | Very low | 29.2 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 106.4 | 139.9 | -172.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 19 | K | 29.6 | Very low | 29.2 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 81% | 0.809 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 117.3 | 149.2 | -82.8 | -174.4 | 175.6 | 178.3 | 0 | 121.9 | ||||
| 20 | L | 23.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | 109.4 | 112.8 | 129.3 | -76.4 | 165 | 0 | 0 | 0 | 120.3 | |||||
| 21 | L | 23.2 | Very low | 28.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 87.8 | 128.8 | 148.5 | -61.3 | 166.3 | 0 | 0 | 0 | 120.4 | ||||
| 22 | S | 23.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 74.8 | 89.1 | 155.2 | -53.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 23 | V | 27.5 | Very low | 27.7 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | 43.9 | 129 | 104.5 | 178.8 | 0 | 0 | 0 | 0 | 118 | |||||
| 24 | D | 26.3 | Very low | 27.3 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | cis | -172.9 | 179.5 | -14.6 | -111.2 | -58.1 | 0 | 0 | 0 | 109.8 | ||||
| 25 | E | 26.2 | Very low | 27 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 68.8 | 150.6 | 170 | -56.8 | -147.2 | 109.2 | 0 | 0 | 118 | ||||
| 26 | H | 29.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | cis | -158.3 | 138.3 | -25.3 | -122.7 | 114.5 | 0 | 0 | 0 | 109.9 | ||||
| 27 | A | 29.7 | Very low | 26.9 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | -74.5 | 164.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 28 | Q | 29.9 | Very low | 26.9 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -149.7 | -174.6 | 159 | -125.4 | 131.9 | 120.4 | 0 | 0 | 117.2 | D10 | D10-Q28 PolarHBondContact OD2-N 2.71Š| ||
| 29 | T | 30.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -148.8 | 145.4 | -137.9 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 30 | I | 27.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -89.6 | 96.8 | 160.6 | -59.8 | -179 | 0 | 0 | 0 | 107.3 | ||||
| 31 | Q | 27.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 60% | 0.603 | 72% | 0.719 | S | S | * | * | 71.6 | 138.3 | 83.7 | -68.6 | -177.6 | -2 | 0 | 0 | 113 | |||||
| 32 | F | 26.3 | Very low | 26.6 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | cis | -134.8 | 135.3 | 34.4 | -93.5 | -102 | 0 | 0 | 0 | 115.8 | ||||
| 33 | N | 26.2 | Very low | 26.6 | Very low | 113 Ų | 113 | 133 Ų | 133 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | 45.5 | 145.1 | 126.9 | -64.4 | 6.6 | 0 | 0 | 0 | 121.8 | |||||
| 34 | T | 27.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | cis | -171 | -174.1 | -2.2 | 27.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 35 | N | 26.1 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | cis | -162.7 | 163.9 | 9.3 | -137.9 | -26.9 | 0 | 0 | 0 | 111.4 | ||||
| 36 | Q | 29.5 | Very low | 26.4 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | 61 | 155.6 | 150.3 | -74.3 | 170.6 | 38.8 | 0 | 0 | 120 | ||||
| 37 | N | 24.1 | Very low | 26.1 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | cis | -164.9 | 167.6 | -33.2 | -146.5 | -8.8 | 0 | 0 | 0 | 111.2 | ||||
| 38 | T | 26.1 | Very low | 25.9 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | trans | 59.3 | 120.4 | 154 | 51.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 39 | N | 24.1 | Very low | 25.6 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | 67.7 | 149.9 | 124.1 | -61.1 | -14.4 | 0 | 0 | 0 | 124.7 | |||||
| 40 | N | 21.9 | Very low | 25.3 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -45.3 | 143.5 | 167.5 | -55.4 | -40.5 | 0 | 0 | 0 | 114.9 | ||||
| 41 | L | 24.2 | Very low | 25.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | 166.8 | 150 | 116.6 | -88.4 | 162.7 | 0 | 0 | 0 | 113.2 | |||||
| 42 | I | 25.1 | Very low | 25.1 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | 63.8 | 100.3 | 143.5 | -66.9 | 168.8 | 0 | 0 | 0 | 119.4 | ||||
| 43 | S | 22.9 | Very low | 25.1 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | trans | 36.5 | 136.7 | 132.9 | 69.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 44 | D | 24.2 | Very low | 25 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | 66.9 | 95.9 | 131.9 | -59.1 | -16.4 | 0 | 0 | 0 | 122 | ||||
| 45 | S | 26 | Very low | 24.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | 92.4 | 135.6 | 107.6 | -152 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 46 | L | 26.1 | Very low | 24.8 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 66.8 | 83.8 | 157 | -72.3 | 161.9 | 0 | 0 | 0 | 120.2 | ||||
| 47 | C | 22.9 | Very low | 24.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 42.7 | 132.8 | 116.9 | -53 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 48 | I | 25.8 | Very low | 24.7 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | -151.1 | 148.6 | 119 | -106.5 | 160.3 | 0 | 0 | 0 | 109.7 | |||||
| 49 | D | 22.5 | Very low | 24.5 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 145 | -177.8 | -93.7 | -67.4 | 0 | 0 | 0 | 115.1 | ||||
| 50 | S | 25.3 | Very low | 24.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -178 | 137.5 | 134.4 | -81.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | S | 27.4 | Very low | 24.7 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | cis | -152.1 | 143 | 10 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 52 | E | 23.3 | Very low | 24.9 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 50% | 0.495 | 75% | 0.751 | S | S | . | * | trans | -62.4 | -178.7 | 158 | -57.7 | -177.7 | 138.2 | 0 | 0 | 112.3 | ||||
| 53 | R | 25.2 | Very low | 24.8 | Very low | 158 Ų | 158 | 141 Ų | 141 | 60% | 0.596 | 75% | 0.751 | S | S | * | * | trans | 109.3 | 76.3 | 144.8 | -51.2 | -131.3 | 164.8 | -166.5 | -0.8 | 120.5 | T55 | R53-T55 VanDerWaalsContact CA-OG1 3.27Å; R53-T55 WeakPolarHBondContact CA-OG1 3.49Å; R53-T55 HydrophobicContact CB-CG2 4.13Å; R53-T55 VanDerWaalsContact CB-OG1 3.28Å; R53-T55 WeakPolarHBondContact CB-OG1 3.38Å; R53-T55 HydrophobicContact CG-CG2 3.77Å | ||
| 54 | R | 25.4 | Very low | 25 | Very low | 252 Ų | 252 | 143.9 Ų | 143.9 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | -136.9 | 107.1 | 101.2 | -84.3 | -175.8 | 170.8 | 170.5 | -4.9 | 106.9 | |||||
| 55 | T | 25.3 | Very low | 25.1 | Very low | 68 Ų | 68 | 144.2 Ų | 144.2 | 42% | 0.417 | 76% | 0.756 | S | S | . | * | cis | 69.3 | 135.7 | 16.7 | 64.5 | 0 | 0 | 0 | 0 | 119.6 | R53 | R53-T55 VanDerWaalsContact CA-OG1 3.27Å; R53-T55 WeakPolarHBondContact CA-OG1 3.49Å; R53-T55 HydrophobicContact CB-CG2 4.13Å; R53-T55 VanDerWaalsContact CB-OG1 3.28Å; R53-T55 WeakPolarHBondContact CB-OG1 3.38Å; R53-T55 HydrophobicContact CG-CG2 3.77Å | ||
| 56 | Q | 23.7 | Very low | 24.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 70.8 | 148.9 | -70 | 166.3 | -79.7 | 0 | 0 | 117.4 | ||||
| 57 | E | 25.9 | Very low | 25.1 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -152.8 | 74.5 | 154.4 | -132.6 | 164.6 | -132 | 0 | 0 | 112.1 | ||||
| 58 | L | 24.4 | Very low | 25.3 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -175.6 | 59.4 | 149.5 | -104.9 | 168.3 | 0 | 0 | 0 | 113.3 | ||
| 59 | L | 22.9 | Very low | 25.2 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | S | Bend | -163.5 | 142 | 129.6 | -131.2 | 75.2 | 0 | 0 | 0 | 111.1 | |||
| 60 | N | 24.8 | Very low | 25.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 61.9 | 75.1 | 160.2 | -60.1 | -5.3 | 0 | 0 | 0 | 119 | ||||
| 61 | S | 25.8 | Very low | 25.6 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | -98.6 | 148.3 | 105.6 | -66.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 62 | I | 27.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | cis | -126.7 | 159.6 | 29.7 | -66.8 | 160.9 | 0 | 0 | 0 | 110.9 | ||||
| 63 | H | 24.1 | Very low | 25.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | trans | -132.2 | 148.5 | 177.7 | -137.3 | -100.4 | 0 | 0 | 0 | 111 | ||||
| 64 | H | 26.1 | Very low | 26 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | trans | 70.3 | 135.8 | 178.9 | -51.5 | -77.4 | 0 | 0 | 0 | 115.8 | ||||
| 65 | N | 26.7 | Very low | 26 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | cis | -135.6 | 163.3 | 26.3 | -75.9 | -66.1 | 0 | 0 | 0 | 115 | ||||
| 66 | S | 22.2 | Very low | 26 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -93 | -168.9 | 173 | -40.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 67 | P | 29.5 | Very low | 26 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | cis | -141.4 | -162.5 | 1.3 | 34.5 | -9.1 | 0 | 0 | 0 | 115.6 | ||||
| 68 | I | 27.5 | Very low | 26 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | 78.6 | 139.4 | 161.9 | -57.7 | 163.3 | 0 | 0 | 0 | 116.5 | ||||
| 69 | S | 24.7 | Very low | 26 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | cis | -173.2 | 162.4 | -27.5 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 70 | N | 27.4 | Very low | 26.1 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 73.9 | 142.8 | 168.1 | -54.7 | 4.7 | 0 | 0 | 0 | 116.3 | ||||
| 71 | N | 28.4 | Very low | 26 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | cis | -158.2 | 153.2 | -12.1 | -96.4 | 1.1 | 0 | 0 | 0 | 105.4 | ||||
| 72 | N | 28.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -156.2 | 154.9 | 3.3 | -110.3 | -13.7 | 0 | 0 | 0 | 111.1 | ||||
| 73 | N | 28.4 | Very low | 25.9 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | 66.5 | 143.2 | 162.1 | -60 | -1.6 | 0 | 0 | 0 | 118.5 | ||||
| 74 | S | 26.9 | Very low | 25.8 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -162.7 | 163.6 | -169.3 | -43.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | N | 26.1 | Very low | 25.7 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 70.9 | 153.3 | 153.2 | -62.1 | -12.6 | 0 | 0 | 0 | 116.8 | ||||
| 76 | C | 24.2 | Very low | 25.5 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 54% | 0.541 | 73% | 0.733 | S | S | . | * | cis | -162.3 | 151.8 | -1.4 | -126.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 77 | I | 24.1 | Very low | 25.5 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | 66.2 | 151.7 | 149.4 | -66.9 | 163.7 | 0 | 0 | 0 | 116.9 | ||||
| 78 | L | 25.7 | Very low | 25.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | trans | 145.1 | 154.6 | 148.9 | -77.7 | 174.6 | 0 | 0 | 0 | 109.2 | F960 | L78-F960 HydrophobicContact CD1-CE1 3.88Å; L78-F960 HydrophobicContact CD1-CZ 4.19Å | ||
| 79 | N | 25.5 | Very low | 25.1 | Very low | 120 Ų | 120 | 127 Ų | 127 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | -154.6 | 126.6 | -42.5 | -163.2 | 1.9 | 0 | 0 | 0 | 109.1 | N81 | N79-N81 VanDerWaalsContact C-N 3.3Å; N79-N81 PolarHBondContact O-N 2.66Å; N79-N81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | L | 24.9 | Very low | 25.2 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -86.6 | 73.3 | 172 | -123.2 | 79.7 | 0 | 0 | 0 | 110 | ||
| 81 | N | 23.2 | Very low | 25.3 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -178.2 | 97.6 | 156.1 | -94.5 | -29.6 | 0 | 0 | 0 | 111.2 | N79 | N79-N81 VanDerWaalsContact C-N 3.3Å; N79-N81 PolarHBondContact O-N 2.66Å; N79-N81 VanDerWaalsContact O-N 3.09Å | ||
| 82 | N | 26.4 | Very low | 25.5 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | -155.4 | 104.3 | 141.3 | -123.2 | -9 | 0 | 0 | 0 | 110.3 | ||||
| 83 | L | 23.7 | Very low | 25.8 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -105.1 | 84.4 | 178.3 | -180 | 72.7 | 0 | 0 | 0 | 109 | L85 | L83-L85 PolarHBondContact O-N 3.01Š| ||
| 84 | S | 21.5 | Very low | 26.4 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -94.9 | 80.8 | 173.6 | 37.5 | 0 | 0 | 0 | 0 | 111.1 | S86 | S84-S86 PolarHBondContact O-N 3.12Š| ||
| 85 | L | 24.6 | Very low | 27.8 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -33.6 | 113.2 | 174.9 | -177.3 | 72 | 0 | 0 | 0 | 114.8 | L83 | L83-L85 PolarHBondContact O-N 3.01Š| ||
| 86 | S | 21.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -141.3 | 85 | 166.5 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | S84 | S84-S86 PolarHBondContact O-N 3.12Š| ||
| 87 | S | 22.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 31.8 | 87.4 | 149.4 | -54.2 | 0 | 0 | 0 | 0 | 120.1 | ||
| 88 | S | 25.1 | Very low | 37 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -171.2 | 63.5 | 146.7 | -86.2 | 0 | 0 | 0 | 0 | 113.5 | S90 | S88-S90 PolarHBondContact O-N 3.45Š| ||
| 89 | S | 25.1 | Very low | 40.3 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 91% | 0.909 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 60.8 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 90 | S | 26.3 | Very low | 43.7 | Very low | 103 Ų | 103 | 112.6 Ų | 112.6 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | -9.2 | -171.1 | -51.8 | 0 | 0 | 0 | 0 | 115.5 | S88 | S88-S90 PolarHBondContact O-N 3.45Š|
| 91 | S | 29.7 | Very low | 47.1 | Very low | 88 Ų | 88 | 104.6 Ų | 104.6 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | trans | -91.4 | -9.9 | -162.4 | 53 | 0 | 0 | 0 | 0 | 116.6 | F93 H94 | S91-F93 PolarHBondContact O-N 3.04Å; S91-H94 PolarHBondContact O-N 3.11Å | ||
| 92 | L | 32.6 | Very low | 50.5 | Low | 166 Ų | 166 | 99.8 Ų | 99.8 | 87% | 0.869 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -3 | -169.9 | -138.5 | 82 | 0 | 0 | 0 | 115.6 | ||
| 93 | F | 33.6 | Very low | 53.8 | Low | 174 Ų | 174 | 93.3 Ų | 93.3 | 76% | 0.763 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 8.4 | 174.7 | -74.5 | -79.1 | 0 | 0 | 0 | 114.3 | S91 | S91-F93 PolarHBondContact O-N 3.04Š|
| 94 | H | 42.5 | Very low | 57.2 | Low | 144 Ų | 144 | 92.4 Ų | 92.4 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | trans | -127.1 | 81 | 174.1 | -87.6 | 64.9 | 0 | 0 | 0 | 111.1 | S91 E96 | S91-H94 PolarHBondContact O-N 3.11Å; H94-E96 PolarHBondContact O-N 2.8Å | ||
| 95 | C | 54.6 | Low | 60.7 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 54% | 0.541 | 52% | 0.521 | S | S | . | . | trans | -85.8 | 82.9 | 166.8 | -156.8 | 0 | 0 | 0 | 0 | 108.9 | N97 V105 | C95-N97 PolarHBondContact O-N 3.18Å; C95-N97 PolarHBondContact SG-O 3.38Å; C95-V105 WeakPolarHBondContact O-CG2 3.25Å | ||
| 96 | E | 79 | Confident | 63.9 | Low | 117 Ų | 117 | 84.7 Ų | 84.7 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | trans | -69 | -15.8 | 178.7 | -59.9 | -157.9 | 147.7 | 0 | 0 | 113.2 | H94 V105 | H94-E96 PolarHBondContact O-N 2.8Å; E96-V105 PolarHBondContact O-N 3.3Å | ||
| 97 | N | 92.7 | Very high | 67.2 | Low | 92 Ų | 92 | 80.7 Ų | 80.7 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -108.9 | 136.2 | -175.7 | -61.1 | 86.6 | 0 | 0 | 0 | 110.8 | C95 G102 | C95-N97 PolarHBondContact O-N 3.18Å; C95-N97 PolarHBondContact SG-O 3.38Å; N97-G102 WeakPolarHBondContact CB-O 3.24Å; N97-G102 PolarHBondContact ND2-O 2.95Å |
| 98 | C | 96.5 | Very high | 70.5 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | trans | -68 | 123.5 | -176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | I100 C101 G102 D103 V105 C115 | C98-I100 PolarHBondContact O-N 3.48Å; C98-C101 PolarHBondContact O-N 3.4Å; C98-G102 PolarHBondContact O-N 2.99Å; C98-D103 WeakPolarHBondContact CB-O 3.11Å; C98-D103 PolarHBondContact N-O 2.67Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; C98-C115 HydrophobicContact CB-CB 3.81Å; C98-C115 PolarHBondContact SG-N 2.89Å; C98-C115 VanDerWaalsContact SG-N 3.37Å | ||
| 99 | P | 94.6 | Very high | 73.8 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.1 | -174.6 | 25 | -33.9 | 0 | 0 | 0 | 114.1 | P113 K157 V161 | P99-P113 WeakPolarHBondContact CD-O 3.08Å; P99-K157 WeakPolarHBondContact O-CE 3.19Å; P99-V161 HydrophobicContact CB-CG1 4.22Å |
| 100 | I | 96.2 | Very high | 77.2 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -34 | 173.6 | -57.9 | 93.2 | 0 | 0 | 0 | 112.2 | C98 T114 C118 V142 R154 K157 V161 M163 | C98-I100 PolarHBondContact O-N 3.48Å; I100-T114 HydrophobicContact CD1-CG2 3.39Å; I100-C118 HydrophobicContact CD1-CB 4.44Å; I100-V142 HydrophobicContact CG2-CG1 4.16Å; I100-V142 WeakPolarHBondContact O-CG1 3.35Å; I100-R154 HydrophobicContact CG2-CG 4.2Å; I100-K157 HydrophobicContact CG2-CB 4.44Å; I100-K157 HydrophobicContact CG2-CD 4.44Å; I100-K157 HydrophobicContact CG2-CG 4.39Å; I100-K157 VanDerWaalsContact O-CD 3.25Å; I100-K157 WeakPolarHBondContact O-CD 3.28Å; I100-K157 WeakPolarHBondContact O-CE 3.31Å; I100-K157 PolarHBondContact O-NZ 2.86Å; I100-V161 HydrophobicContact CD1-CG2 3.76Å; I100-V161 HydrophobicContact CG1-CG2 3.72Å; I100-M163 HydrophobicContact CD1-CG 4.33Å; I100-M163 HydrophobicContact CD1-SD 3.69Å; I100-M163 HydrophobicContact CG1-SD 4.22Å |
| 101 | C | 97.1 | Very high | 80.1 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -153.2 | 12.6 | -170.6 | 70.2 | 0 | 0 | 0 | 0 | 117.2 | C98 D103 V142 D143 R144 R147 | C98-C101 PolarHBondContact O-N 3.4Å; C101-D103 PolarHBondContact O-N 3.03Å; C101-V142 WeakPolarHBondContact CA-O 3.33Å; C101-V142 HydrophobicContact CB-CG1 4.36Å; C101-D143 CarbonylContact O-C 3.59Å; C101-D143 VanDerWaalsContact O-C 3.31Å; C101-D143 WeakPolarHBondContact O-CA 3.37Å; C101-R144 WeakPolarHBondContact O-CA 3.47Å; C101-R144 PolarHBondContact O-N 2.98Å; C101-R147 HydrophobicContact CB-CB 4.18Å; C101-R147 PolarHBondContact SG-NH1 3.04Å |
| 102 | G | 95.2 | Very high | 83 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 71 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | N97 C98 | N97-G102 WeakPolarHBondContact CB-O 3.24Å; N97-G102 PolarHBondContact ND2-O 2.95Å; C98-G102 PolarHBondContact O-N 2.99Å |
| 103 | D | 96 | Very high | 85.9 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 152.9 | 178.1 | -162.9 | 19.1 | 0 | 0 | 0 | 112.5 | C98 C101 V105 C115 R144 R147 | C98-D103 WeakPolarHBondContact CB-O 3.11Å; C98-D103 PolarHBondContact N-O 2.67Å; C101-D103 PolarHBondContact O-N 3.03Å; D103-V105 PolarHBondContact O-N 3.06Å; D103-C115 HydrophobicContact CB-CB 4.1Å; D103-R144 HydrophobicContact CB-CB 4.23Å; D103-R144 HydrophobicContact CB-CG 3.89Å; D103-R144 WeakPolarHBondContact OD1-CD 3.36Å; D103-R144 IonicContact OD1-CZ 2.65Å; D103-R144 IonicContact OD1-NE 2.69Å; D103-R144 PolarHBondContact OD1-NE 3.4Å; D103-R144 IonicContact OD1-NH2 2.81Å; D103-R147 VanDerWaalsContact CB-NH1 3.3Å; D103-R147 IonicContact OD2-CZ 2.75Å; D103-R147 IonicContact OD2-NH1 2.66Å; D103-R147 PolarHBondContact OD2-NH1 3.35Å; D103-R147 IonicContact OD2-NH2 2.63Å; D103-R147 PolarHBondContact OD2-NH2 2.99Å |
| 104 | K | 94.4 | Very high | 88.8 | Confident | 147 Ų | 147 | 50.8 Ų | 50.8 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | B | Isolated β-bridge | trans | -58.5 | 135.2 | -170.6 | -169.5 | 170.1 | -176.4 | 170.9 | 0 | 112.5 | C115 | K104-C115 WeakPolarHBondContact O-CA 3.37Å; K104-C115 WeakPolarHBondContact O-CB 3.41Å |
| 105 | V | 95.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 44 Ų | 44 | 22% | 0.218 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 132.6 | 177 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | C95 E96 C98 D103 P113 | C95-V105 WeakPolarHBondContact O-CG2 3.25Å; E96-V105 PolarHBondContact O-N 3.3Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; D103-V105 PolarHBondContact O-N 3.06Å; V105-P113 HydrophobicContact CG1-CB 3.92Å; V105-P113 HydrophobicContact CG2-CB 4.25Å |
| 106 | S | 92.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -102.2 | -11.4 | 173.6 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | H109 T114 E116 | S106-H109 PolarHBondContact OG-NE2 2.81Å; S106-T114 PolarHBondContact N-O 3.09Å; S106-E116 PolarHBondContact OG-N 3.19Å; S106-E116 PolarHBondContact OG-OE2 2.92Å; S106-E116 VanDerWaalsContact OG-OE2 3.06Å | ||
| 107 | G | 89.2 | Confident | 94.3 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 25% | 0.247 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -175.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H109 P113 T114 | G107-H109 PolarHBondContact N-NE2 3.27Å; G107-H109 PolarHBondContact O-CD2 3.45Å; G107-H109 VanDerWaalsContact O-CD2 3.31Å; G107-P113 WeakPolarHBondContact O-CA 2.92Å; G107-T114 PolarHBondContact O-N 2.83Å |
| 108 | Y | 92.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 36.9 Ų | 36.9 | 46% | 0.459 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.1 | 168.6 | -85.4 | -100.9 | 0 | 0 | 0 | 109.9 | L112 P113 | Y108-L112 WeakPolarHBondContact CA-O 2.96Å; Y108-P113 HydrophobicContact CE1-CG 4.44Å; Y108-P113 HydrophobicContact CE2-CB 4.22Å |
| 109 | H | 94.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.1 | 177.5 | -49.4 | -70 | 0 | 0 | 0 | 109.6 | S106 G107 G111 L112 T114 E116 K119 | S106-H109 PolarHBondContact OG-NE2 2.81Å; G107-H109 PolarHBondContact N-NE2 3.27Å; G107-H109 PolarHBondContact O-CD2 3.45Å; G107-H109 VanDerWaalsContact O-CD2 3.31Å; H109-G111 PolarHBondContact O-N 3.13Å; H109-G111 VanDerWaalsContact O-N 3.13Å; H109-L112 PolarHBondContact N-O 3.13Å; H109-L112 PolarHBondContact O-N 2.94Å; H109-L112 VanDerWaalsContact O-N 3.17Å; H109-T114 PolarHBondContact CD2-O 3.44Å; H109-T114 PolarHBondContact CD2-OG1 2.72Å; H109-E116 IonicContact CE1-OE2 3.62Å; H109-E116 IonicContact NE2-OE2 2.72Å; H109-K119 HydrophobicContact CB-CB 3.81Å; H109-K119 HydrophobicContact CB-CD 4.45Å; H109-K119 HydrophobicContact CB-CG 3.79Å; H109-K119 VanDerWaalsContact CE1-CE 3.49Å; H109-K119 WeakPolarHBondContact CE1-CE 3.34Å; H109-K119 WeakPolarHBondContact ND1-CD 3.4Å; H109-K119 VanDerWaalsContact ND1-CE 3.29Å; H109-K119 WeakPolarHBondContact ND1-CE 3.33Å |
| 110 | Y | 95.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 38 Ų | 38 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.6 | 177.6 | -48.5 | -65.8 | 0 | 0 | 0 | 113.8 | K119 F122 K123 M163 R164 A167 V168 | Y110-K119 HydrophobicContact CE2-CB 4.38Å; Y110-K119 HydrophobicContact CE2-CG 3.81Å; Y110-F122 HydrophobicContact CD1-CD1 4.4Å; Y110-F122 AromaticContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CE1 4.41Å; Y110-F122 HydrophobicContact CD2-CG 4.48Å; Y110-F122 HydrophobicContact CE2-CD1 4.33Å; Y110-F122 AromaticContact CG-CD1 3.71Å; Y110-F122 HydrophobicContact CG-CD1 3.71Å; Y110-F122 AromaticContact CG-CE1 3.99Å; Y110-F122 HydrophobicContact CG-CE1 3.99Å; Y110-K123 HydrophobicContact CE2-CB 4.21Å; Y110-K123 WeakPolarHBondContact OH-CB 3.23Å; Y110-K123 WeakPolarHBondContact OH-CG 3.45Å; Y110-M163 HydrophobicContact CD2-CE 3.82Å; Y110-M163 HydrophobicContact CG-CE 4.41Å; Y110-M163 WeakPolarHBondContact O-CA 3.4Å; Y110-R164 WeakPolarHBondContact O-CB 3.5Å; Y110-R164 PolarHBondContact O-N 3.22Å; Y110-A167 HydrophobicContact CD1-CB 3.96Å; Y110-V168 HydrophobicContact CD1-CG2 3.63Å; Y110-V168 HydrophobicContact CE1-CB 4.42Å; Y110-V168 HydrophobicContact CE1-CG2 3.65Å; Y110-V168 HydrophobicContact CG-CG2 4.31Å |
| 111 | G | 87.8 | Confident | 94.7 | Very high | 28 Ų | 28 | 39 Ų | 39 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -9.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | H109 | H109-G111 PolarHBondContact O-N 3.13Å; H109-G111 VanDerWaalsContact O-N 3.13Å |
| 112 | L | 90.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.1 | -174 | -66.5 | 175.4 | 0 | 0 | 0 | 114 | Y108 H109 T114 V161 M163 | Y108-L112 WeakPolarHBondContact CA-O 2.96Å; H109-L112 PolarHBondContact N-O 3.13Å; H109-L112 PolarHBondContact O-N 2.94Å; H109-L112 VanDerWaalsContact O-N 3.17Å; L112-T114 HydrophobicContact CB-CG2 3.89Å; L112-T114 PolarHBondContact O-N 3.15Å; L112-V161 HydrophobicContact CD1-CB 4.01Å; L112-V161 HydrophobicContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-O 3.31Å; L112-V161 WeakPolarHBondContact CD1-O 3.31Å; L112-M163 HydrophobicContact CD1-CG 3.89Å |
| 113 | P | 93 | Very high | 94.8 | Very high | 21 Ų | 21 | 41 Ų | 41 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 112.6 | 168.1 | 29 | -32.6 | 0 | 0 | 0 | 109.5 | P99 V105 G107 Y108 | P99-P113 WeakPolarHBondContact CD-O 3.08Å; V105-P113 HydrophobicContact CG1-CB 3.92Å; V105-P113 HydrophobicContact CG2-CB 4.25Å; G107-P113 WeakPolarHBondContact O-CA 2.92Å; Y108-P113 HydrophobicContact CE1-CG 4.44Å; Y108-P113 HydrophobicContact CE2-CB 4.22Å |
| 114 | T | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164.4 | -174 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | I100 S106 G107 H109 L112 M163 | I100-T114 HydrophobicContact CD1-CG2 3.39Å; S106-T114 PolarHBondContact N-O 3.09Å; G107-T114 PolarHBondContact O-N 2.83Å; H109-T114 PolarHBondContact CD2-O 3.44Å; H109-T114 PolarHBondContact CD2-OG1 2.72Å; L112-T114 HydrophobicContact CB-CG2 3.89Å; L112-T114 PolarHBondContact O-N 3.15Å; T114-M163 HydrophobicContact CG2-CE 4.48Å; T114-M163 HydrophobicContact CG2-SD 4.32Å |
| 115 | C | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | trans | -82.3 | 154.3 | 175.1 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | C98 D103 K104 S117 C118 K119 | C98-C115 HydrophobicContact CB-CB 3.81Å; C98-C115 PolarHBondContact SG-N 2.89Å; C98-C115 VanDerWaalsContact SG-N 3.37Å; D103-C115 HydrophobicContact CB-CB 4.1Å; K104-C115 WeakPolarHBondContact O-CA 3.37Å; K104-C115 WeakPolarHBondContact O-CB 3.41Å; C115-S117 VanDerWaalsContact C-N 3.25Å; C115-S117 PolarHBondContact O-N 2.88Å; C115-C118 PolarHBondContact O-N 3.44Å; C115-K119 PolarHBondContact O-N 3.48Å; C115-K119 VanDerWaalsContact O-N 3.14Å | ||
| 116 | E | 96.3 | Very high | 94.8 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.7 | -36 | -174.6 | -167.4 | 60.8 | -156.5 | 0 | 0 | 113.2 | S106 H109 C118 K119 G120 | S106-E116 PolarHBondContact OG-N 3.19Å; S106-E116 PolarHBondContact OG-OE2 2.92Å; S106-E116 VanDerWaalsContact OG-OE2 3.06Å; H109-E116 IonicContact CE1-OE2 3.62Å; H109-E116 IonicContact NE2-OE2 2.72Å; E116-C118 PolarHBondContact O-N 2.9Å; E116-K119 VanDerWaalsContact CD-CD 3.44Å; E116-K119 WeakPolarHBondContact O-CB 3.16Å; E116-K119 VanDerWaalsContact OE1-CD 3.26Å; E116-K119 WeakPolarHBondContact OE1-CD 3.39Å; E116-K119 WeakPolarHBondContact OE1-CE 3.22Å; E116-K119 IonicContact OE1-NZ 3.16Å; E116-K119 PolarHBondContact OE1-NZ 3.08Å; E116-K119 WeakPolarHBondContact OE2-CD 3.48Å; E116-K119 IonicContact OE2-NZ 3.43Å; E116-K119 PolarHBondContact OE2-NZ 3.1Å; E116-G120 PolarHBondContact O-N 3.47Å |
| 117 | S | 96.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.3 | -31.7 | 178.8 | 85.7 | 0 | 0 | 0 | 0 | 113.1 | C115 F121 R147 R154 | C115-S117 VanDerWaalsContact C-N 3.25Å; C115-S117 PolarHBondContact O-N 2.88Å; S117-F121 WeakPolarHBondContact O-CB 3.32Å; S117-F121 PolarHBondContact O-N 3.39Å; S117-R147 VanDerWaalsContact OG-CZ 3.3Å; S117-R147 PolarHBondContact OG-NH1 3.47Å; S117-R154 VanDerWaalsContact C-NH2 3.27Å; S117-R154 PolarHBondContact O-NH2 3.16Å; S117-R154 PolarHBondContact OG-NH2 2.93Å |
| 118 | C | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.2 | -39.4 | 176.5 | -73 | 0 | 0 | 0 | 0 | 111.7 | I100 C115 E116 F121 F122 R154 | I100-C118 HydrophobicContact CD1-CB 4.44Å; C115-C118 PolarHBondContact O-N 3.44Å; E116-C118 PolarHBondContact O-N 2.9Å; C118-F121 PolarHBondContact O-N 2.89Å; C118-F122 VanDerWaalsContact O-CB 3.24Å; C118-F122 WeakPolarHBondContact O-CB 3.22Å; C118-F122 PolarHBondContact O-N 2.8Å; C118-R154 PolarHBondContact SG-NH2 3.41Å |
| 119 | K | 96.8 | Very high | 95 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53 | -55 | 166.8 | 168 | -151.4 | -164.9 | -178.1 | 0 | 111.3 | H109 Y110 C115 E116 F121 F122 K123 | H109-K119 HydrophobicContact CB-CB 3.81Å; H109-K119 HydrophobicContact CB-CD 4.45Å; H109-K119 HydrophobicContact CB-CG 3.79Å; H109-K119 VanDerWaalsContact CE1-CE 3.49Å; H109-K119 WeakPolarHBondContact CE1-CE 3.34Å; H109-K119 WeakPolarHBondContact ND1-CD 3.4Å; H109-K119 VanDerWaalsContact ND1-CE 3.29Å; H109-K119 WeakPolarHBondContact ND1-CE 3.33Å; Y110-K119 HydrophobicContact CE2-CB 4.38Å; Y110-K119 HydrophobicContact CE2-CG 3.81Å; C115-K119 PolarHBondContact O-N 3.48Å; C115-K119 VanDerWaalsContact O-N 3.14Å; E116-K119 VanDerWaalsContact CD-CD 3.44Å; E116-K119 WeakPolarHBondContact O-CB 3.16Å; E116-K119 VanDerWaalsContact OE1-CD 3.26Å; E116-K119 WeakPolarHBondContact OE1-CD 3.39Å; E116-K119 WeakPolarHBondContact OE1-CE 3.22Å; E116-K119 IonicContact OE1-NZ 3.16Å; E116-K119 PolarHBondContact OE1-NZ 3.08Å; E116-K119 WeakPolarHBondContact OE2-CD 3.48Å; E116-K119 IonicContact OE2-NZ 3.43Å; E116-K119 PolarHBondContact OE2-NZ 3.1Å; K119-F121 PolarHBondContact O-N 3.15Å; K119-F122 PolarHBondContact O-N 2.66Å; K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 PolarHBondContact O-N 3.42Å |
| 120 | G | 96.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E116 R124 | E116-G120 PolarHBondContact O-N 3.47Å; G120-R124 WeakPolarHBondContact O-CG 3.47Å; G120-R124 PolarHBondContact O-N 3.31Å; G120-R124 VanDerWaalsContact O-N 3.11Å |
| 121 | F | 97.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.6 | 172.9 | -98.5 | 0 | 0 | 0 | 112.4 | S117 C118 K119 R124 T125 Y132 A151 R154 F155 | S117-F121 WeakPolarHBondContact O-CB 3.32Å; S117-F121 PolarHBondContact O-N 3.39Å; C118-F121 PolarHBondContact O-N 2.89Å; K119-F121 PolarHBondContact O-N 3.15Å; F121-R124 PolarHBondContact O-N 3.12Å; F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.48Å; F121-T125 PolarHBondContact O-OG1 2.88Å; F121-Y132 AromaticContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CZ-CD2 4.35Å; F121-Y132 AromaticContact CZ-CE2 3.64Å; F121-Y132 HydrophobicContact CZ-CE2 3.64Å; F121-A151 HydrophobicContact CE2-CB 4.13Å; F121-A151 HydrophobicContact CZ-CB 4.27Å; F121-A151 WeakPolarHBondContact CZ-O 3.39Å; F121-R154 HydrophobicContact CD1-CG 3.85Å; F121-R154 HydrophobicContact CE1-CB 3.97Å; F121-R154 HydrophobicContact CE1-CG 3.62Å; F121-R154 HydrophobicContact CZ-CB 4.09Å; F121-R154 HydrophobicContact CZ-CG 4.13Å; F121-F155 HydrophobicContact CE1-CB 3.84Å; F121-F155 HydrophobicContact CE1-CD2 4.3Å; F121-F155 HydrophobicContact CZ-CB 3.99Å |
| 122 | F | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 179.8 | -172.3 | -98.8 | 0 | 0 | 0 | 111.5 | Y110 C118 K119 R124 T125 V126 F155 C158 L159 M163 R164 V165 V168 | Y110-F122 HydrophobicContact CD1-CD1 4.4Å; Y110-F122 AromaticContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CE1 4.41Å; Y110-F122 HydrophobicContact CD2-CG 4.48Å; Y110-F122 HydrophobicContact CE2-CD1 4.33Å; Y110-F122 AromaticContact CG-CD1 3.71Å; Y110-F122 HydrophobicContact CG-CD1 3.71Å; Y110-F122 AromaticContact CG-CE1 3.99Å; Y110-F122 HydrophobicContact CG-CE1 3.99Å; C118-F122 VanDerWaalsContact O-CB 3.24Å; C118-F122 WeakPolarHBondContact O-CB 3.22Å; C118-F122 PolarHBondContact O-N 2.8Å; K119-F122 PolarHBondContact O-N 2.66Å; F122-R124 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-N 3.08Å; F122-V126 HydrophobicContact CD1-CG2 4.35Å; F122-V126 HydrophobicContact CE1-CG2 4.02Å; F122-V126 HydrophobicContact CE2-CG2 4.3Å; F122-V126 HydrophobicContact CZ-CG2 3.99Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 3.35Å; F122-F155 HydrophobicContact CD2-CD2 4.07Å; F122-F155 AromaticContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CE2-CD2 4.36Å; F122-F155 AromaticContact CE2-CE2 3.71Å; F122-F155 HydrophobicContact CE2-CE2 3.71Å; F122-C158 HydrophobicContact CD2-CB 3.7Å; F122-C158 HydrophobicContact CE2-CB 4.14Å; F122-L159 HydrophobicContact CE2-CD2 4.06Å; F122-M163 HydrophobicContact CB-CE 3.66Å; F122-M163 HydrophobicContact CB-SD 4.24Å; F122-M163 HydrophobicContact CD1-CB 4.38Å; F122-M163 HydrophobicContact CD1-CE 3.98Å; F122-M163 HydrophobicContact CD2-CB 3.86Å; F122-M163 HydrophobicContact CD2-CE 4.28Å; F122-M163 HydrophobicContact CD2-SD 4.16Å; F122-M163 HydrophobicContact CE1-CB 4.11Å; F122-M163 HydrophobicContact CE2-CB 3.55Å; F122-M163 HydrophobicContact CG-CB 4.26Å; F122-M163 HydrophobicContact CG-CE 3.72Å; F122-M163 HydrophobicContact CG-SD 4.18Å; F122-M163 HydrophobicContact CZ-CB 3.69Å; F122-M163 VanDerWaalsContact CZ-O 3.3Å; F122-M163 WeakPolarHBondContact CZ-O 3.47Å; F122-R164 WeakPolarHBondContact CE1-O 3.49Å; F122-V165 HydrophobicContact CZ-CG2 3.96Å; F122-V168 HydrophobicContact CD1-CG2 3.93Å; F122-V168 HydrophobicContact CE1-CG2 3.71Å |
| 123 | K | 95.9 | Very high | 95.4 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.6 | -52.2 | 176.1 | -168.4 | -168.2 | -172 | -115.2 | 0 | 111.7 | Y110 K119 T125 V126 Q127 V168 | Y110-K123 HydrophobicContact CE2-CB 4.21Å; Y110-K123 WeakPolarHBondContact OH-CB 3.23Å; Y110-K123 WeakPolarHBondContact OH-CG 3.45Å; K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 PolarHBondContact O-N 3.42Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.67Å; K123-V126 PolarHBondContact O-N 3.09Å; K123-Q127 HydrophobicContact CG-CG 4.21Å; K123-Q127 WeakPolarHBondContact O-CB 3.36Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.93Å; K123-V168 HydrophobicContact CG-CG1 4.36Å |
| 124 | R | 95.3 | Very high | 95.6 | Very high | 158 Ų | 158 | 61.2 Ų | 61.2 | 60% | 0.596 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.7 | -36.5 | -179 | -73 | -169.2 | -63.1 | -102.9 | 6.8 | 112.6 | G120 F121 F122 N128 | G120-R124 WeakPolarHBondContact O-CG 3.47Å; G120-R124 PolarHBondContact O-N 3.31Å; G120-R124 VanDerWaalsContact O-N 3.11Å; F121-R124 PolarHBondContact O-N 3.12Å; F122-R124 PolarHBondContact O-N 3.33Å; R124-N128 WeakPolarHBondContact O-CB 3.42Å; R124-N128 PolarHBondContact O-N 3.4Å |
| 125 | T | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66 | -47.1 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 111 | F121 F122 K123 K129 K130 Y132 F155 | F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.48Å; F121-T125 PolarHBondContact O-OG1 2.88Å; F122-T125 PolarHBondContact O-N 3.08Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.67Å; T125-K129 WeakPolarHBondContact O-CA 3.38Å; T125-K129 PolarHBondContact O-N 3.32Å; T125-K129 VanDerWaalsContact O-N 3.16Å; T125-K130 HydrophobicContact CG2-CB 4.3Å; T125-K130 WeakPolarHBondContact CG2-O 3.41Å; T125-K130 PolarHBondContact O-N 3.42Å; T125-Y132 HydrophobicContact CG2-CD2 4.16Å; T125-Y132 HydrophobicContact CG2-CE2 3.43Å; T125-Y132 VanDerWaalsContact CG2-CE2 3.43Å; T125-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T125-Y132 PolarHBondContact OG1-OH 3.01Å; T125-Y132 VanDerWaalsContact OG1-OH 3.07Å; T125-F155 HydrophobicContact CG2-CD1 3.92Å; T125-F155 HydrophobicContact CG2-CD2 3.59Å; T125-F155 HydrophobicContact CG2-CE1 3.9Å; T125-F155 HydrophobicContact CG2-CE2 3.57Å; T125-F155 HydrophobicContact CG2-CG 3.78Å; T125-F155 HydrophobicContact CG2-CZ 3.73Å |
| 126 | V | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.8 | -49.1 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | F122 K123 N128 K129 F155 V165 V168 | F122-V126 HydrophobicContact CD1-CG2 4.35Å; F122-V126 HydrophobicContact CE1-CG2 4.02Å; F122-V126 HydrophobicContact CE2-CG2 4.3Å; F122-V126 HydrophobicContact CZ-CG2 3.99Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 3.35Å; K123-V126 PolarHBondContact O-N 3.09Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.33Å; V126-K129 PolarHBondContact O-N 3.28Å; V126-K129 VanDerWaalsContact O-N 3.12Å; V126-F155 HydrophobicContact CG2-CE2 4.11Å; V126-F155 HydrophobicContact CG2-CZ 4.19Å; V126-V165 HydrophobicContact CG1-CG1 3.66Å; V126-V165 HydrophobicContact CG2-CG1 4.08Å; V126-V165 HydrophobicContact CG2-CG2 4.36Å; V126-V168 HydrophobicContact CB-CB 4.15Å; V126-V168 HydrophobicContact CB-CG1 4.08Å; V126-V168 HydrophobicContact CB-CG2 4.01Å; V126-V168 HydrophobicContact CG1-CB 3.69Å; V126-V168 HydrophobicContact CG1-CG1 3.86Å; V126-V168 HydrophobicContact CG1-CG2 3.99Å; V126-V168 HydrophobicContact CG2-CG2 4.27Å |
| 127 | Q | 92.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 77.1 Ų | 77.1 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | -177.3 | -70.9 | -164.4 | -57.4 | 0 | 0 | 112.7 | K123 K129 V168 R169 | K123-Q127 HydrophobicContact CG-CG 4.21Å; K123-Q127 WeakPolarHBondContact O-CB 3.36Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.93Å; Q127-K129 VanDerWaalsContact C-N 3.33Å; Q127-V168 HydrophobicContact CG-CG1 3.4Å; Q127-R169 PolarHBondContact NE2-O 3.33Å |
| 128 | N | 93.1 | Very high | 94.5 | Very high | 84 Ų | 84 | 76.2 Ų | 76.2 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 10.6 | 179.8 | -59.8 | 13.8 | 0 | 0 | 0 | 112.3 | R124 V126 K130 | R124-N128 WeakPolarHBondContact O-CB 3.42Å; R124-N128 PolarHBondContact O-N 3.4Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.33Å; N128-K130 HydrophobicContact CB-CG 4.06Å; N128-K130 PolarHBondContact O-N 3.35Å |
| 129 | K | 92.4 | Very high | 94.3 | Very high | 140 Ų | 140 | 82.7 Ų | 82.7 | 61% | 0.609 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 40.4 | 179.2 | -60.3 | 177.5 | -177.7 | 176 | 0 | 112.4 | T125 V126 Q127 E131 E170 | T125-K129 WeakPolarHBondContact O-CA 3.38Å; T125-K129 PolarHBondContact O-N 3.32Å; T125-K129 VanDerWaalsContact O-N 3.16Å; V126-K129 PolarHBondContact O-N 3.28Å; V126-K129 VanDerWaalsContact O-N 3.12Å; Q127-K129 VanDerWaalsContact C-N 3.33Å; K129-E131 PolarHBondContact O-N 3.48Å; K129-E170 IonicContact NZ-OE1 3.61Å; K129-E170 PolarHBondContact NZ-OE1 3.46Å |
| 130 | K | 93.2 | Very high | 94.3 | Very high | 110 Ų | 110 | 80.7 Ų | 80.7 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | trans | -74.5 | 114.4 | -174.2 | -74.3 | -156 | 172.9 | -153.2 | 0 | 111.2 | T125 N128 Y132 | T125-K130 HydrophobicContact CG2-CB 4.3Å; T125-K130 WeakPolarHBondContact CG2-O 3.41Å; T125-K130 PolarHBondContact O-N 3.42Å; N128-K130 HydrophobicContact CB-CG 4.06Å; N128-K130 PolarHBondContact O-N 3.35Å; K130-Y132 HydrophobicContact CB-CE1 4.14Å; K130-Y132 HydrophobicContact CD-CE1 4.12Å | ||
| 131 | E | 94 | Very high | 94.2 | Very high | 169 Ų | 169 | 84 Ų | 84 | 79% | 0.79 | 41% | 0.408 | S | S | * | . | trans | -78.6 | 141.8 | 162.9 | -59.7 | -171 | 160.6 | 0 | 0 | 109.8 | K129 | K129-E131 PolarHBondContact O-N 3.48Š| ||
| 132 | Y | 95.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 83.5 Ų | 83.5 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | trans | -127 | 151.7 | 175.8 | -60.7 | -57.5 | 0 | 0 | 0 | 108.9 | F121 T125 K130 A151 Y152 F155 | F121-Y132 AromaticContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CZ-CD2 4.35Å; F121-Y132 AromaticContact CZ-CE2 3.64Å; F121-Y132 HydrophobicContact CZ-CE2 3.64Å; T125-Y132 HydrophobicContact CG2-CD2 4.16Å; T125-Y132 HydrophobicContact CG2-CE2 3.43Å; T125-Y132 VanDerWaalsContact CG2-CE2 3.43Å; T125-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T125-Y132 PolarHBondContact OG1-OH 3.01Å; T125-Y132 VanDerWaalsContact OG1-OH 3.07Å; K130-Y132 HydrophobicContact CB-CE1 4.14Å; K130-Y132 HydrophobicContact CD-CE1 4.12Å; Y132-A151 HydrophobicContact CD1-CB 3.66Å; Y132-A151 HydrophobicContact CD2-CB 3.8Å; Y132-A151 HydrophobicContact CE1-CB 3.81Å; Y132-A151 HydrophobicContact CE2-CB 3.94Å; Y132-A151 HydrophobicContact CG-CB 3.66Å; Y132-Y152 WeakPolarHBondContact O-CD2 3.19Å; Y132-F155 HydrophobicContact CD2-CB 4.17Å; Y132-F155 HydrophobicContact CE2-CB 4.41Å | ||
| 133 | H | 94.4 | Very high | 94 | Very high | 154 Ų | 154 | 86.9 Ų | 86.9 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | trans | -114.2 | 161.4 | 171.6 | -69.4 | 82.8 | 0 | 0 | 0 | 110.1 | Y152 | H133-Y152 WeakPolarHBondContact O-CB 3.46Š| ||
| 134 | C | 97.1 | Very high | 93.9 | Very high | 32 Ų | 32 | 90.8 Ų | 90.8 | 22% | 0.216 | 44% | 0.437 | C | S | . | . | trans | -101.7 | 131.5 | 174.2 | -161.3 | 0 | 0 | 0 | 0 | 109.6 | E136 G138 C150 Y152 | C134-E136 PolarHBondContact SG-N 3.1Å; C134-E136 PolarHBondContact SG-O 2.85Å; C134-E136 VanDerWaalsContact SG-O 3.35Å; C134-G138 VanDerWaalsContact SG-CA 3.54Å; C134-G138 PolarHBondContact SG-N 2.92Å; C134-C150 VanDerWaalsContact SG-SG 3.68Å; C134-Y152 HydrophobicContact CB-CD1 3.62Å; C134-Y152 HydrophobicContact CB-CE1 4.2Å; C134-Y152 HydrophobicContact CB-CG 4.13Å | ||
| 135 | N | 91.3 | Very high | 93.8 | Very high | 143 Ų | 143 | 90.1 Ų | 90.1 | 77% | 0.765 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -83.9 | -3.7 | 173.1 | -58.5 | 10.7 | 0 | 0 | 0 | 111.7 | ||
| 136 | E | 89.4 | Confident | 93.5 | Very high | 110 Ų | 110 | 93.2 Ų | 93.2 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -123.8 | -163.5 | 175.8 | -58.3 | 174 | -159.1 | 0 | 0 | 109.4 | C134 G138 C140 | C134-E136 PolarHBondContact SG-N 3.1Å; C134-E136 PolarHBondContact SG-O 2.85Å; C134-E136 VanDerWaalsContact SG-O 3.35Å; E136-G138 PolarHBondContact O-N 3.24Å; E136-C140 PolarHBondContact OE2-SG 3.26Å |
| 137 | Q | 91.1 | Very high | 93.5 | Very high | 178 Ų | 178 | 94.2 Ų | 94.2 | 83% | 0.832 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -80.1 | 29.6 | -174.4 | -58.2 | 175 | 4.3 | 0 | 0 | 114.4 | N139 | Q137-N139 PolarHBondContact O-N 3.37Å; Q137-N139 VanDerWaalsContact O-N 3.16Å; Q137-N139 PolarHBondContact O-ND2 3.47Å |
| 138 | G | 91.2 | Very high | 93.5 | Very high | 24 Ų | 24 | 101.6 Ų | 101.6 | 25% | 0.247 | 49% | 0.491 | C | S | . | . | S | Bend | trans | 72.4 | 0 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | C134 E136 C153 | C134-G138 VanDerWaalsContact SG-CA 3.54Å; C134-G138 PolarHBondContact SG-N 2.92Å; E136-G138 PolarHBondContact O-N 3.24Å; G138-C153 PolarHBondContact O-SG 2.78Å |
| 139 | N | 93.3 | Very high | 93.6 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | trans | -114.3 | 19.7 | -168.3 | -64.9 | -34.3 | 0 | 0 | 0 | 114.4 | Q137 | Q137-N139 PolarHBondContact O-N 3.37Å; Q137-N139 VanDerWaalsContact O-N 3.16Å; Q137-N139 PolarHBondContact O-ND2 3.47Å | ||
| 140 | C | 96.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 99.3 Ų | 99.3 | 8% | 0.081 | 48% | 0.475 | C | S | . | . | trans | -55.6 | 139.6 | -177.1 | -50 | 0 | 0 | 0 | 0 | 112.4 | E136 V142 C150 C153 | E136-C140 PolarHBondContact OE2-SG 3.26Å; C140-V142 WeakPolarHBondContact O-CG2 2.99Å; C140-V142 PolarHBondContact O-N 2.9Å; C140-C150 HydrophobicContact CB-CB 3.62Å; C140-C150 VanDerWaalsContact SG-CB 3.52Å; C140-C153 HydrophobicContact CB-CB 3.84Å; C140-C153 VanDerWaalsContact CB-SG 3.6Å; C140-C153 PolarHBondContact N-SG 3.09Å; C140-C153 VanDerWaalsContact N-SG 3.36Å; C140-C153 PolarHBondContact SG-SG 3.46Å | ||
| 141 | V | 94.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 95.7 Ų | 95.7 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | trans | -67.5 | 126.3 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | D143 H146 | V141-D143 WeakPolarHBondContact CG1-OD2 3.44Å; V141-H146 WeakPolarHBondContact O-CB 3.49Å | ||
| 142 | V | 96.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 91.4 Ų | 91.4 | 5% | 0.048 | 44% | 0.442 | C | S | . | . | trans | -117.1 | 92.4 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | I100 C101 C140 R147 C153 R154 K157 | I100-V142 HydrophobicContact CG2-CG1 4.16Å; I100-V142 WeakPolarHBondContact O-CG1 3.35Å; C101-V142 WeakPolarHBondContact CA-O 3.33Å; C101-V142 HydrophobicContact CB-CG1 4.36Å; C140-V142 WeakPolarHBondContact O-CG2 2.99Å; C140-V142 PolarHBondContact O-N 2.9Å; V142-R147 HydrophobicContact CG1-CB 4.13Å; V142-C153 HydrophobicContact CG2-CB 4.05Å; V142-R154 HydrophobicContact CG1-CB 4.08Å; V142-R154 HydrophobicContact CG1-CG 3.97Å; V142-R154 HydrophobicContact CG2-CB 4.43Å; V142-K157 HydrophobicContact CB-CD 3.83Å; V142-K157 HydrophobicContact CG1-CD 4.26Å; V142-K157 HydrophobicContact CG2-CD 4.29Å; V142-K157 PolarHBondContact O-NZ 3.49Å | ||
| 143 | D | 95.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 89 Ų | 89 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -127.7 | 176.4 | 179.5 | -61.8 | -32.7 | 0 | 0 | 0 | 111.8 | C101 V141 L145 H146 R147 | C101-D143 CarbonylContact O-C 3.59Å; C101-D143 VanDerWaalsContact O-C 3.31Å; C101-D143 WeakPolarHBondContact O-CA 3.37Å; V141-D143 WeakPolarHBondContact CG1-OD2 3.44Å; D143-L145 CarbonylContact O-C 3.54Å; D143-L145 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact O-N 3.07Å; D143-H146 PolarHBondContact O-N 3.23Å; D143-H146 VanDerWaalsContact O-N 3.15Å; D143-R147 WeakPolarHBondContact O-CB 3.17Å; D143-R147 VanDerWaalsContact O-CG 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.46Å |
| 144 | R | 94 | Very high | 94.4 | Very high | 163 Ų | 163 | 82.5 Ų | 82.5 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -38.6 | -175.1 | -174.8 | 175.8 | -171 | -129.3 | -5.8 | 113.3 | C101 D103 R147 | C101-R144 WeakPolarHBondContact O-CA 3.47Å; C101-R144 PolarHBondContact O-N 2.98Å; D103-R144 HydrophobicContact CB-CB 4.23Å; D103-R144 HydrophobicContact CB-CG 3.89Å; D103-R144 WeakPolarHBondContact OD1-CD 3.36Å; D103-R144 IonicContact OD1-CZ 2.65Å; D103-R144 IonicContact OD1-NE 2.69Å; D103-R144 PolarHBondContact OD1-NE 3.4Å; D103-R144 IonicContact OD1-NH2 2.81Å; R144-R147 WeakPolarHBondContact O-CD 3.3Å; R144-R147 PolarHBondContact O-NE 3.17Å |
| 145 | L | 92.2 | Very high | 94.4 | Very high | 144 Ų | 144 | 82.8 Ų | 82.8 | 75% | 0.754 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -59.6 | 173.6 | -55.5 | 175.9 | 0 | 0 | 0 | 110.9 | D143 R147 | D143-L145 CarbonylContact O-C 3.54Å; D143-L145 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact O-N 3.07Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.07Å |
| 146 | H | 91.8 | Very high | 94.7 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 31% | 0.31 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -78.4 | -5.8 | -167.4 | -60.9 | 125 | 0 | 0 | 0 | 115.9 | V141 D143 K148 R149 | V141-H146 WeakPolarHBondContact O-CB 3.49Å; D143-H146 PolarHBondContact O-N 3.23Å; D143-H146 VanDerWaalsContact O-N 3.15Å; H146-K148 PolarHBondContact O-N 3.21Å; H146-R149 PolarHBondContact CD2-NH1 2.91Å; H146-R149 PolarHBondContact CD2-NH2 3.42Å; H146-R149 WeakPolarHBondContact O-CB 3.05Å; H146-R149 PolarHBondContact O-N 2.73Å |
| 147 | R | 93.4 | Very high | 95 | Very high | 45 Ų | 45 | 76.9 Ų | 76.9 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -59.9 | -4.5 | 177.2 | 64.6 | -174.2 | 175.5 | 179 | -3.2 | 116.4 | C101 D103 S117 V142 D143 R144 L145 R154 | C101-R147 HydrophobicContact CB-CB 4.18Å; C101-R147 PolarHBondContact SG-NH1 3.04Å; D103-R147 VanDerWaalsContact CB-NH1 3.3Å; D103-R147 IonicContact OD2-CZ 2.75Å; D103-R147 IonicContact OD2-NH1 2.66Å; D103-R147 PolarHBondContact OD2-NH1 3.35Å; D103-R147 IonicContact OD2-NH2 2.63Å; D103-R147 PolarHBondContact OD2-NH2 2.99Å; S117-R147 VanDerWaalsContact OG-CZ 3.3Å; S117-R147 PolarHBondContact OG-NH1 3.47Å; V142-R147 HydrophobicContact CG1-CB 4.13Å; D143-R147 WeakPolarHBondContact O-CB 3.17Å; D143-R147 VanDerWaalsContact O-CG 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.46Å; R144-R147 WeakPolarHBondContact O-CD 3.3Å; R144-R147 PolarHBondContact O-NE 3.17Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.07Å; R147-R154 WeakPolarHBondContact O-CD 3.32Å; R147-R154 PolarHBondContact O-NH1 3.47Å |
| 148 | K | 93.8 | Very high | 95.3 | Very high | 197 Ų | 197 | 68.4 Ų | 68.4 | 86% | 0.857 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -89.1 | -27.4 | 166.3 | -73.8 | -170.2 | 178.1 | -175.1 | 0 | 112.9 | H146 C150 | H146-K148 PolarHBondContact O-N 3.21Å; K148-C150 PolarHBondContact O-N 3.34Å |
| 149 | R | 94 | Very high | 95.6 | Very high | 163 Ų | 163 | 70.2 Ų | 70.2 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -36.9 | -168 | -177.4 | 176 | -72.9 | 148 | 1.9 | 114.4 | H146 | H146-R149 PolarHBondContact CD2-NH1 2.91Å; H146-R149 PolarHBondContact CD2-NH2 3.42Å; H146-R149 WeakPolarHBondContact O-CB 3.05Å; H146-R149 PolarHBondContact O-N 2.73Å |
| 150 | C | 97.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | trans | -142 | 108.8 | -179.1 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | C134 C140 K148 C153 R154 | C134-C150 VanDerWaalsContact SG-SG 3.68Å; C140-C150 HydrophobicContact CB-CB 3.62Å; C140-C150 VanDerWaalsContact SG-CB 3.52Å; K148-C150 PolarHBondContact O-N 3.34Å; C150-C153 HydrophobicContact CB-CB 4.16Å; C150-C153 PolarHBondContact SG-N 3.3Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.39Å; C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 PolarHBondContact O-N 3.33Å | ||
| 151 | A | 96.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F121 Y132 R154 F155 | F121-A151 HydrophobicContact CE2-CB 4.13Å; F121-A151 HydrophobicContact CZ-CB 4.27Å; F121-A151 WeakPolarHBondContact CZ-O 3.39Å; Y132-A151 HydrophobicContact CD1-CB 3.66Å; Y132-A151 HydrophobicContact CD2-CB 3.8Å; Y132-A151 HydrophobicContact CE1-CB 3.81Å; Y132-A151 HydrophobicContact CE2-CB 3.94Å; Y132-A151 HydrophobicContact CG-CB 3.66Å; A151-R154 PolarHBondContact O-N 2.72Å; A151-F155 WeakPolarHBondContact O-CB 3.34Å; A151-F155 PolarHBondContact O-N 2.7Å |
| 152 | Y | 97.7 | Very high | 95.4 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.9 | -56.2 | 177.1 | 174.7 | -96.7 | 0 | 0 | 0 | 112.1 | Y132 H133 C134 R154 F155 Q156 | Y132-Y152 WeakPolarHBondContact O-CD2 3.19Å; H133-Y152 WeakPolarHBondContact O-CB 3.46Å; C134-Y152 HydrophobicContact CB-CD1 3.62Å; C134-Y152 HydrophobicContact CB-CE1 4.2Å; C134-Y152 HydrophobicContact CB-CG 4.13Å; Y152-R154 PolarHBondContact O-N 3.06Å; Y152-F155 PolarHBondContact O-N 3.01Å; Y152-F155 VanDerWaalsContact O-N 3.08Å; Y152-Q156 HydrophobicContact CD1-CG 4.15Å; Y152-Q156 HydrophobicContact CD2-CG 4.25Å; Y152-Q156 HydrophobicContact CE1-CG 3.76Å; Y152-Q156 HydrophobicContact CE2-CG 3.88Å; Y152-Q156 HydrophobicContact CG-CG 4.4Å; Y152-Q156 WeakPolarHBondContact O-CB 3.24Å; Y152-Q156 WeakPolarHBondContact O-CG 3.28Å; Y152-Q156 PolarHBondContact O-N 2.75Å; Y152-Q156 PolarHBondContact OH-NE2 3.08Å |
| 153 | C | 97.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -34.2 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | G138 C140 V142 C150 K157 | G138-C153 PolarHBondContact O-SG 2.78Å; C140-C153 HydrophobicContact CB-CB 3.84Å; C140-C153 VanDerWaalsContact CB-SG 3.6Å; C140-C153 PolarHBondContact N-SG 3.09Å; C140-C153 VanDerWaalsContact N-SG 3.36Å; C140-C153 PolarHBondContact SG-SG 3.46Å; V142-C153 HydrophobicContact CG2-CB 4.05Å; C150-C153 HydrophobicContact CB-CB 4.16Å; C150-C153 PolarHBondContact SG-N 3.3Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.39Å; C153-K157 VanDerWaalsContact O-CB 3.22Å; C153-K157 WeakPolarHBondContact O-CB 3.03Å; C153-K157 PolarHBondContact O-N 2.84Å |
| 154 | R | 97.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.2 | -173.4 | 178 | -173.8 | 168.7 | -1.7 | 112.4 | I100 S117 C118 F121 V142 R147 C150 A151 Y152 K157 C158 | I100-R154 HydrophobicContact CG2-CG 4.2Å; S117-R154 VanDerWaalsContact C-NH2 3.27Å; S117-R154 PolarHBondContact O-NH2 3.16Å; S117-R154 PolarHBondContact OG-NH2 2.93Å; C118-R154 PolarHBondContact SG-NH2 3.41Å; F121-R154 HydrophobicContact CD1-CG 3.85Å; F121-R154 HydrophobicContact CE1-CB 3.97Å; F121-R154 HydrophobicContact CE1-CG 3.62Å; F121-R154 HydrophobicContact CZ-CB 4.09Å; F121-R154 HydrophobicContact CZ-CG 4.13Å; V142-R154 HydrophobicContact CG1-CB 4.08Å; V142-R154 HydrophobicContact CG1-CG 3.97Å; V142-R154 HydrophobicContact CG2-CB 4.43Å; R147-R154 WeakPolarHBondContact O-CD 3.32Å; R147-R154 PolarHBondContact O-NH1 3.47Å; C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 PolarHBondContact O-N 3.33Å; A151-R154 PolarHBondContact O-N 2.72Å; Y152-R154 PolarHBondContact O-N 3.06Å; R154-K157 PolarHBondContact O-N 2.98Å; R154-C158 PolarHBondContact O-N 3.24Å; R154-C158 PolarHBondContact O-SG 2.68Å |
| 155 | F | 97.8 | Very high | 95 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 17% | 0.171 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 179.6 | -172 | -123.8 | 0 | 0 | 0 | 112 | F121 F122 T125 V126 Y132 A151 Y152 K157 C158 L159 | F121-F155 HydrophobicContact CE1-CB 3.84Å; F121-F155 HydrophobicContact CE1-CD2 4.3Å; F121-F155 HydrophobicContact CZ-CB 3.99Å; F122-F155 HydrophobicContact CD2-CD2 4.07Å; F122-F155 AromaticContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CE2-CD2 4.36Å; F122-F155 AromaticContact CE2-CE2 3.71Å; F122-F155 HydrophobicContact CE2-CE2 3.71Å; T125-F155 HydrophobicContact CG2-CD1 3.92Å; T125-F155 HydrophobicContact CG2-CD2 3.59Å; T125-F155 HydrophobicContact CG2-CE1 3.9Å; T125-F155 HydrophobicContact CG2-CE2 3.57Å; T125-F155 HydrophobicContact CG2-CG 3.78Å; T125-F155 HydrophobicContact CG2-CZ 3.73Å; V126-F155 HydrophobicContact CG2-CE2 4.11Å; V126-F155 HydrophobicContact CG2-CZ 4.19Å; Y132-F155 HydrophobicContact CD2-CB 4.17Å; Y132-F155 HydrophobicContact CE2-CB 4.41Å; A151-F155 WeakPolarHBondContact O-CB 3.34Å; A151-F155 PolarHBondContact O-N 2.7Å; Y152-F155 PolarHBondContact O-N 3.01Å; Y152-F155 VanDerWaalsContact O-N 3.08Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.29Å; F155-C158 WeakPolarHBondContact O-CB 3.43Å; F155-C158 PolarHBondContact O-N 2.77Å; F155-L159 HydrophobicContact CD1-CD1 4.09Å; F155-L159 HydrophobicContact CE1-CD1 3.79Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CE2-CD2 4.48Å; F155-L159 HydrophobicContact CE2-CG 4.44Å; F155-L159 HydrophobicContact CZ-CD1 4.09Å; F155-L159 HydrophobicContact CZ-CD2 4.26Å; F155-L159 HydrophobicContact CZ-CG 4.29Å; F155-L159 WeakPolarHBondContact O-CG 3.49Å; F155-L159 PolarHBondContact O-N 3.26Å |
| 156 | Q | 96.7 | Very high | 94.9 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 169.2 | -71.7 | -64.5 | -8.3 | 0 | 0 | 110.9 | Y152 C158 L159 I160 | Y152-Q156 HydrophobicContact CD1-CG 4.15Å; Y152-Q156 HydrophobicContact CD2-CG 4.25Å; Y152-Q156 HydrophobicContact CE1-CG 3.76Å; Y152-Q156 HydrophobicContact CE2-CG 3.88Å; Y152-Q156 HydrophobicContact CG-CG 4.4Å; Y152-Q156 WeakPolarHBondContact O-CB 3.24Å; Y152-Q156 WeakPolarHBondContact O-CG 3.28Å; Y152-Q156 PolarHBondContact O-N 2.75Å; Y152-Q156 PolarHBondContact OH-NE2 3.08Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 2.94Å; Q156-L159 PolarHBondContact O-N 2.98Å; Q156-I160 HydrophobicContact CB-CD1 4.36Å; Q156-I160 VanDerWaalsContact O-CB 3.29Å; Q156-I160 WeakPolarHBondContact O-CB 3.19Å; Q156-I160 WeakPolarHBondContact O-CD1 3.49Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.28Å |
| 157 | K | 97.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 59 Ų | 59 | 27% | 0.274 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.5 | -165.8 | 173.4 | 178.7 | -172.9 | 0 | 112.3 | P99 I100 V142 C153 R154 F155 I160 V161 | P99-K157 WeakPolarHBondContact O-CE 3.19Å; I100-K157 HydrophobicContact CG2-CB 4.44Å; I100-K157 HydrophobicContact CG2-CD 4.44Å; I100-K157 HydrophobicContact CG2-CG 4.39Å; I100-K157 VanDerWaalsContact O-CD 3.25Å; I100-K157 WeakPolarHBondContact O-CD 3.28Å; I100-K157 WeakPolarHBondContact O-CE 3.31Å; I100-K157 PolarHBondContact O-NZ 2.86Å; V142-K157 HydrophobicContact CB-CD 3.83Å; V142-K157 HydrophobicContact CG1-CD 4.26Å; V142-K157 HydrophobicContact CG2-CD 4.29Å; V142-K157 PolarHBondContact O-NZ 3.49Å; C153-K157 VanDerWaalsContact O-CB 3.22Å; C153-K157 WeakPolarHBondContact O-CB 3.03Å; C153-K157 PolarHBondContact O-N 2.84Å; R154-K157 PolarHBondContact O-N 2.98Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.29Å; K157-I160 PolarHBondContact O-N 3.33Å; K157-V161 WeakPolarHBondContact O-CG1 3.42Å; K157-V161 WeakPolarHBondContact O-CG2 3.18Å; K157-V161 PolarHBondContact O-N 3.15Å |
| 158 | C | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57 | -49.8 | 171.5 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | F122 R154 F155 Q156 V161 G162 M163 | F122-C158 HydrophobicContact CD2-CB 3.7Å; F122-C158 HydrophobicContact CE2-CB 4.14Å; R154-C158 PolarHBondContact O-N 3.24Å; R154-C158 PolarHBondContact O-SG 2.68Å; F155-C158 WeakPolarHBondContact O-CB 3.43Å; F155-C158 PolarHBondContact O-N 2.77Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 2.94Å; C158-V161 WeakPolarHBondContact O-CG2 3.16Å; C158-G162 PolarHBondContact O-N 3.15Å; C158-M163 HydrophobicContact CB-CB 4.26Å; C158-M163 HydrophobicContact CB-CG 4.21Å; C158-M163 HydrophobicContact CB-SD 3.72Å; C158-M163 VanDerWaalsContact O-CB 3.3Å; C158-M163 WeakPolarHBondContact O-CB 2.94Å; C158-M163 WeakPolarHBondContact O-CG 3.39Å; C158-M163 PolarHBondContact O-N 2.87Å |
| 159 | L | 96.1 | Very high | 94 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 178.9 | -65.3 | 171.9 | 0 | 0 | 0 | 111.5 | F122 F155 Q156 V161 G162 V165 | F122-L159 HydrophobicContact CE2-CD2 4.06Å; F155-L159 HydrophobicContact CD1-CD1 4.09Å; F155-L159 HydrophobicContact CE1-CD1 3.79Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CE2-CD2 4.48Å; F155-L159 HydrophobicContact CE2-CG 4.44Å; F155-L159 HydrophobicContact CZ-CD1 4.09Å; F155-L159 HydrophobicContact CZ-CD2 4.26Å; F155-L159 HydrophobicContact CZ-CG 4.29Å; F155-L159 WeakPolarHBondContact O-CG 3.49Å; F155-L159 PolarHBondContact O-N 3.26Å; Q156-L159 PolarHBondContact O-N 2.98Å; L159-V161 PolarHBondContact O-N 2.92Å; L159-G162 WeakPolarHBondContact O-CA 3.41Å; L159-G162 PolarHBondContact O-N 3.47Å; L159-V165 HydrophobicContact CD2-CG2 3.58Å |
| 160 | I | 95.8 | Very high | 93.1 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 179.9 | -74.8 | 165.6 | 0 | 0 | 0 | 112.4 | Q156 K157 G162 P191 | Q156-I160 HydrophobicContact CB-CD1 4.36Å; Q156-I160 VanDerWaalsContact O-CB 3.29Å; Q156-I160 WeakPolarHBondContact O-CB 3.19Å; Q156-I160 WeakPolarHBondContact O-CD1 3.49Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.28Å; K157-I160 PolarHBondContact O-N 3.33Å; I160-G162 PolarHBondContact O-N 2.87Å; I160-P191 HydrophobicContact CD1-CG 4.13Å; I160-P191 HydrophobicContact CG1-CG 4.15Å; I160-P191 HydrophobicContact CG2-CG 3.6Å |
| 161 | V | 92.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.6 | -16.5 | 176 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | P99 I100 L112 K157 C158 L159 M163 | P99-V161 HydrophobicContact CB-CG1 4.22Å; I100-V161 HydrophobicContact CD1-CG2 3.76Å; I100-V161 HydrophobicContact CG1-CG2 3.72Å; L112-V161 HydrophobicContact CD1-CB 4.01Å; L112-V161 HydrophobicContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-O 3.31Å; L112-V161 WeakPolarHBondContact CD1-O 3.31Å; K157-V161 WeakPolarHBondContact O-CG1 3.42Å; K157-V161 WeakPolarHBondContact O-CG2 3.18Å; K157-V161 PolarHBondContact O-N 3.15Å; C158-V161 WeakPolarHBondContact O-CG2 3.16Å; L159-V161 PolarHBondContact O-N 2.92Å; V161-M163 HydrophobicContact CG2-CG 4.3Å |
| 162 | G | 91.7 | Very high | 90 | Very high | 34 Ų | 34 | 65 Ų | 65 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.9 | 26.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C158 L159 I160 R164 | C158-G162 PolarHBondContact O-N 3.15Å; L159-G162 WeakPolarHBondContact O-CA 3.41Å; L159-G162 PolarHBondContact O-N 3.47Å; I160-G162 PolarHBondContact O-N 2.87Å; G162-R164 PolarHBondContact O-N 3.16Å |
| 163 | M | 95.9 | Very high | 88 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | trans | -67.3 | 123.2 | 170.1 | -64.8 | -169.6 | 74 | 0 | 0 | 110.2 | I100 Y110 L112 T114 F122 C158 V161 | I100-M163 HydrophobicContact CD1-CG 4.33Å; I100-M163 HydrophobicContact CD1-SD 3.69Å; I100-M163 HydrophobicContact CG1-SD 4.22Å; Y110-M163 HydrophobicContact CD2-CE 3.82Å; Y110-M163 HydrophobicContact CG-CE 4.41Å; Y110-M163 WeakPolarHBondContact O-CA 3.4Å; L112-M163 HydrophobicContact CD1-CG 3.89Å; T114-M163 HydrophobicContact CG2-CE 4.48Å; T114-M163 HydrophobicContact CG2-SD 4.32Å; F122-M163 HydrophobicContact CB-CE 3.66Å; F122-M163 HydrophobicContact CB-SD 4.24Å; F122-M163 HydrophobicContact CD1-CB 4.38Å; F122-M163 HydrophobicContact CD1-CE 3.98Å; F122-M163 HydrophobicContact CD2-CB 3.86Å; F122-M163 HydrophobicContact CD2-CE 4.28Å; F122-M163 HydrophobicContact CD2-SD 4.16Å; F122-M163 HydrophobicContact CE1-CB 4.11Å; F122-M163 HydrophobicContact CE2-CB 3.55Å; F122-M163 HydrophobicContact CG-CB 4.26Å; F122-M163 HydrophobicContact CG-CE 3.72Å; F122-M163 HydrophobicContact CG-SD 4.18Å; F122-M163 HydrophobicContact CZ-CB 3.69Å; F122-M163 VanDerWaalsContact CZ-O 3.3Å; F122-M163 WeakPolarHBondContact CZ-O 3.47Å; C158-M163 HydrophobicContact CB-CB 4.26Å; C158-M163 HydrophobicContact CB-CG 4.21Å; C158-M163 HydrophobicContact CB-SD 3.72Å; C158-M163 VanDerWaalsContact O-CB 3.3Å; C158-M163 WeakPolarHBondContact O-CB 2.94Å; C158-M163 WeakPolarHBondContact O-CG 3.39Å; C158-M163 PolarHBondContact O-N 2.87Å; V161-M163 HydrophobicContact CG2-CG 4.3Å | ||
| 164 | R | 90.4 | Very high | 85.9 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | trans | -83.6 | 112 | -170 | -73 | -177.9 | 176.5 | -91.3 | 10 | 112.3 | Y110 F122 G162 E166 A167 | Y110-R164 WeakPolarHBondContact O-CB 3.5Å; Y110-R164 PolarHBondContact O-N 3.22Å; F122-R164 WeakPolarHBondContact CE1-O 3.49Å; G162-R164 PolarHBondContact O-N 3.16Å; R164-E166 VanDerWaalsContact C-N 3.27Å; R164-E166 WeakPolarHBondContact CA-OE2 3.26Å; R164-E166 HydrophobicContact CB-CG 4.48Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CB-OE2 3.45Å; R164-E166 VanDerWaalsContact CD-OE1 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 VanDerWaalsContact CG-OE1 3.22Å; R164-E166 WeakPolarHBondContact CG-OE1 3.38Å; R164-E166 IonicContact CZ-OE1 3.77Å; R164-E166 IonicContact NE-OE1 2.76Å; R164-E166 IonicContact NH1-OE1 2.81Å; R164-E166 PolarHBondContact NH1-OE1 3.36Å; R164-E166 PolarHBondContact O-N 3.06Å; R164-A167 HydrophobicContact CB-CB 3.83Å; R164-A167 WeakPolarHBondContact O-CB 3.33Å; R164-A167 PolarHBondContact O-N 3.08Å; R164-A167 VanDerWaalsContact O-N 3.15Å | ||
| 165 | V | 92.6 | Very high | 83.5 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -61 | -40.4 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | F122 V126 L159 A167 V168 | F122-V165 HydrophobicContact CZ-CG2 3.96Å; V126-V165 HydrophobicContact CG1-CG1 3.66Å; V126-V165 HydrophobicContact CG2-CG1 4.08Å; V126-V165 HydrophobicContact CG2-CG2 4.36Å; L159-V165 HydrophobicContact CD2-CG2 3.58Å; V165-A167 PolarHBondContact O-N 3.18Å; V165-V168 WeakPolarHBondContact O-CB 3.43Å; V165-V168 PolarHBondContact O-N 3.32Å |
| 166 | E | 89.6 | Confident | 80.9 | Confident | 131 Ų | 131 | 84.1 Ų | 84.1 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -65.9 | -15.4 | 177.8 | 74.7 | -78 | -169.7 | 0 | 0 | 114.2 | R164 V168 | R164-E166 VanDerWaalsContact C-N 3.27Å; R164-E166 WeakPolarHBondContact CA-OE2 3.26Å; R164-E166 HydrophobicContact CB-CG 4.48Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CB-OE2 3.45Å; R164-E166 VanDerWaalsContact CD-OE1 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 VanDerWaalsContact CG-OE1 3.22Å; R164-E166 WeakPolarHBondContact CG-OE1 3.38Å; R164-E166 IonicContact CZ-OE1 3.77Å; R164-E166 IonicContact NE-OE1 2.76Å; R164-E166 IonicContact NH1-OE1 2.81Å; R164-E166 PolarHBondContact NH1-OE1 3.36Å; R164-E166 PolarHBondContact O-N 3.06Å; E166-V168 VanDerWaalsContact C-N 3.27Å |
| 167 | A | 88.3 | Confident | 78.3 | Confident | 49 Ų | 49 | 92.4 Ų | 92.4 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -83.2 | -2.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y110 R164 V165 | Y110-A167 HydrophobicContact CD1-CB 3.96Å; R164-A167 HydrophobicContact CB-CB 3.83Å; R164-A167 WeakPolarHBondContact O-CB 3.33Å; R164-A167 PolarHBondContact O-N 3.08Å; R164-A167 VanDerWaalsContact O-N 3.15Å; V165-A167 PolarHBondContact O-N 3.18Å |
| 168 | V | 88.9 | Confident | 75.8 | Confident | 14 Ų | 14 | 94.5 Ų | 94.5 | 9% | 0.085 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -97.9 | 112 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 109 | Y110 F122 K123 V126 Q127 V165 E166 | Y110-V168 HydrophobicContact CD1-CG2 3.63Å; Y110-V168 HydrophobicContact CE1-CB 4.42Å; Y110-V168 HydrophobicContact CE1-CG2 3.65Å; Y110-V168 HydrophobicContact CG-CG2 4.31Å; F122-V168 HydrophobicContact CD1-CG2 3.93Å; F122-V168 HydrophobicContact CE1-CG2 3.71Å; K123-V168 HydrophobicContact CG-CG1 4.36Å; V126-V168 HydrophobicContact CB-CB 4.15Å; V126-V168 HydrophobicContact CB-CG1 4.08Å; V126-V168 HydrophobicContact CB-CG2 4.01Å; V126-V168 HydrophobicContact CG1-CB 3.69Å; V126-V168 HydrophobicContact CG1-CG1 3.86Å; V126-V168 HydrophobicContact CG1-CG2 3.99Å; V126-V168 HydrophobicContact CG2-CG2 4.27Å; Q127-V168 HydrophobicContact CG-CG1 3.4Å; V165-V168 WeakPolarHBondContact O-CB 3.43Å; V165-V168 PolarHBondContact O-N 3.32Å; E166-V168 VanDerWaalsContact C-N 3.27Å |
| 169 | R | 83 | Confident | 73 | Confident | 192 Ų | 192 | 105.4 Ų | 105.4 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | trans | -67.7 | 135.6 | 171.5 | -73.2 | -177.3 | 163.7 | 98.5 | -0.3 | 110.4 | Q127 | Q127-R169 PolarHBondContact NE2-O 3.33Š| ||
| 170 | E | 74.1 | Confident | 70 | Confident | 81 Ų | 81 | 109.1 Ų | 109.1 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -65.4 | -43.3 | 171.5 | -67.8 | -175.5 | 120.1 | 0 | 0 | 111.1 | K129 R172 Y219 | K129-E170 IonicContact NZ-OE1 3.61Å; K129-E170 PolarHBondContact NZ-OE1 3.46Å; E170-R172 PolarHBondContact O-N 2.87Å; E170-Y219 VanDerWaalsContact OE2-CE1 3.24Å; E170-Y219 WeakPolarHBondContact OE2-CE1 3.23Å |
| 171 | D | 64.2 | Low | 67.2 | Low | 79 Ų | 79 | 108.5 Ų | 108.5 | 42% | 0.422 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -66.6 | 126.2 | -179.1 | -50.4 | -52.7 | 0 | 0 | 0 | 110.3 | M173 K221 | D171-M173 HydrophobicContact CB-CB 4.35Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 PolarHBondContact O-N 3.4Å; D171-M173 VanDerWaalsContact O-N 3.09Å; D171-K221 IonicContact OD1-NZ 3.48Å; D171-K221 PolarHBondContact OD1-NZ 3.43Å; D171-K221 IonicContact OD2-NZ 3.96Å; D171-K221 PolarHBondContact OD2-NZ 3.41Å |
| 172 | R | 64.3 | Low | 64.4 | Low | 210 Ų | 210 | 112.4 Ų | 112.4 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | trans | -68.6 | -4.9 | 179.4 | -65 | -179 | 180 | 172.8 | 1.3 | 113.6 | E170 R174 | E170-R172 PolarHBondContact O-N 2.87Å; R172-R174 PolarHBondContact O-N 2.89Å | ||
| 173 | M | 56.8 | Low | 61.8 | Low | 160 Ų | 160 | 112.1 Ų | 112.1 | 79% | 0.788 | 55% | 0.546 | S | S | * | . | trans | -41.4 | 130.3 | 174.8 | -70 | -67.2 | -179.7 | 0 | 0 | 112.8 | D171 G175 | D171-M173 HydrophobicContact CB-CB 4.35Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 PolarHBondContact O-N 3.4Å; D171-M173 VanDerWaalsContact O-N 3.09Å; M173-G175 PolarHBondContact O-N 2.94Å | ||
| 174 | R | 53.3 | Low | 58.8 | Low | 254 Ų | 254 | 115.1 Ų | 115.1 | 96% | 0.958 | 57% | 0.567 | S | S | * | * | trans | -77.3 | 52.7 | -176 | -156.8 | 178.2 | -168.9 | 179 | 5 | 112.1 | R172 G176 | R172-R174 PolarHBondContact O-N 2.89Å; R174-G176 PolarHBondContact O-N 3.35Å | ||
| 175 | G | 47.8 | Very low | 56 | Low | 58 Ų | 58 | 116.1 Ų | 116.1 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | trans | -53 | 129.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M173 | M173-G175 PolarHBondContact O-N 2.94Š| ||
| 176 | G | 43 | Very low | 52.9 | Low | 73 Ų | 73 | 118.2 Ų | 118.2 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | trans | -60.5 | 161 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R174 S178 | R174-G176 PolarHBondContact O-N 3.35Å; G176-S178 PolarHBondContact O-N 3.14Å; G176-S178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | R | 42.4 | Very low | 50.1 | Low | 239 Ų | 239 | 116.2 Ų | 116.2 | 90% | 0.902 | 59% | 0.585 | S | S | * | * | trans | -45.1 | 113.8 | -179 | -67.7 | 175.8 | 176.8 | 146.8 | -2.7 | 111.7 | R179 | R177-R179 PolarHBondContact O-N 2.8Å; R177-R179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | S | 43.6 | Very low | 47.5 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | trans | -64.9 | 115 | 169.1 | -164.8 | 0 | 0 | 0 | 0 | 109.3 | G176 R180 | G176-S178 PolarHBondContact O-N 3.14Å; G176-S178 VanDerWaalsContact O-N 3.1Å; S178-R180 PolarHBondContact OG-O 3.23Å | ||
| 179 | R | 39.7 | Very low | 44.5 | Very low | 230 Ų | 230 | 120.3 Ų | 120.3 | 87% | 0.868 | 60% | 0.604 | S | S | * | * | trans | -99.2 | 14.8 | 174 | -90.7 | -170.9 | 167.4 | -172.3 | -2.6 | 112.9 | R177 | R177-R179 PolarHBondContact O-N 2.8Å; R177-R179 VanDerWaalsContact O-N 3.1Å | ||
| 180 | R | 32.3 | Very low | 41.9 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -141.3 | 139.6 | 178.4 | -67.1 | -179.5 | 177.9 | 146 | -3.8 | 109.6 | S178 M1407 | S178-R180 PolarHBondContact OG-O 3.23Å; R180-M1407 PolarHBondContact NH1-SD 3.4Å |
| 181 | G | 36.1 | Very low | 39.6 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | trans | 101.7 | 59.6 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | S183 E1659 | G181-S183 PolarHBondContact O-N 3.32Å; G181-E1659 PolarHBondContact N-OE1 2.93Å | ||
| 182 | R | 34.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 36% | 0.362 | 63% | 0.625 | S | S | . | * | trans | -71.5 | 112.5 | 136.6 | -85.8 | -139.7 | -151.5 | 160.2 | 9.8 | 107.2 | E1654 | R182-E1654 WeakPolarHBondContact CB-O 3.35Å; R182-E1654 VanDerWaalsContact CD-O 3.3Å; R182-E1654 WeakPolarHBondContact CD-O 3.42Å; R182-E1654 HydrophobicContact CG-CB 4.28Å; R182-E1654 HydrophobicContact CG-CG 3.96Å; R182-E1654 WeakPolarHBondContact CG-OE2 3.43Å; R182-E1654 IonicContact CZ-OE1 3.7Å; R182-E1654 IonicContact CZ-OE2 2.67Å; R182-E1654 IonicContact NE-OE1 2.78Å; R182-E1654 IonicContact NE-OE2 2.79Å; R182-E1654 PolarHBondContact NE-OE2 3.49Å; R182-E1654 IonicContact NH2-OE1 3.91Å; R182-E1654 PolarHBondContact NH2-OE1 2.95Å; R182-E1654 IonicContact NH2-OE2 2.64Å; R182-E1654 PolarHBondContact NH2-OE2 3.45Å | ||
| 183 | S | 37.4 | Very low | 36 | Very low | 28 Ų | 28 | 113.9 Ų | 113.9 | 20% | 0.196 | 62% | 0.619 | C | S | . | * | trans | -114.6 | 121.2 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | G181 Y185 F1386 | G181-S183 PolarHBondContact O-N 3.32Å; S183-Y185 PolarHBondContact O-N 3.13Å; S183-Y185 VanDerWaalsContact O-N 3.11Å; S183-Y185 WeakPolarHBondContact OG-CD2 3.39Å; S183-Y185 WeakPolarHBondContact OG-CE2 3.27Å; S183-Y185 VanDerWaalsContact OG-CZ 3.29Å; S183-F1386 WeakPolarHBondContact OG-CZ 3.22Å | ||
| 184 | S | 32.1 | Very low | 34.7 | Very low | 68 Ų | 68 | 110.6 Ų | 110.6 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | trans | -69.1 | 101.5 | -179.4 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | E1382 | S184-E1382 WeakPolarHBondContact CB-OE2 3.4Å; S184-E1382 PolarHBondContact OG-OE2 2.94Å | ||
| 185 | Y | 32.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 106 Ų | 106 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | trans | -129.3 | 55.2 | 173.6 | -67.6 | -51 | 0 | 0 | 0 | 112.7 | S183 V187 | S183-Y185 PolarHBondContact O-N 3.13Å; S183-Y185 VanDerWaalsContact O-N 3.11Å; S183-Y185 WeakPolarHBondContact OG-CD2 3.39Å; S183-Y185 WeakPolarHBondContact OG-CE2 3.27Å; S183-Y185 VanDerWaalsContact OG-CZ 3.29Å; Y185-V187 PolarHBondContact O-N 3.48Å | ||
| 186 | C | 27.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 73% | 0.73 | 60% | 0.599 | S | S | * | * | trans | -86.7 | 70.4 | 173.7 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 187 | V | 29.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | trans | -132.9 | 74.8 | 164.2 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | Y185 T189 | Y185-V187 PolarHBondContact O-N 3.48Å; V187-T189 PolarHBondContact O-N 3.24Å; V187-T189 PolarHBondContact O-OG1 3.37Å | ||
| 188 | V | 34.5 | Very low | 30.7 | Very low | 75 Ų | 75 | 104.4 Ų | 104.4 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | trans | -60 | 107.3 | 164.3 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | T190 | V188-T190 PolarHBondContact O-N 3.4Š| ||
| 189 | T | 25.7 | Very low | 29.9 | Very low | 74 Ų | 74 | 106.3 Ų | 106.3 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | trans | -87.4 | 98.6 | 178.9 | -49.9 | 0 | 0 | 0 | 0 | 107.2 | V187 P191 K1231 | V187-T189 PolarHBondContact O-N 3.24Å; V187-T189 PolarHBondContact O-OG1 3.37Å; T189-P191 WeakPolarHBondContact O-CD 3.16Å; T189-K1231 PolarHBondContact OG1-NZ 2.96Å | ||
| 190 | T | 28.3 | Very low | 29.3 | Very low | 98 Ų | 98 | 99 Ų | 99 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | trans | -60.8 | 121.7 | -178.1 | 40.9 | 0 | 0 | 0 | 0 | 111 | V188 N192 | V188-T190 PolarHBondContact O-N 3.4Å; T190-N192 PolarHBondContact O-N 3.02Å | ||
| 191 | P | 26 | Very low | 28.9 | Very low | 83 Ų | 83 | 99.6 Ų | 99.6 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | trans | -82.9 | 71.2 | 176.9 | 35 | -34.4 | 0 | 0 | 0 | 108.8 | I160 T189 S193 | I160-P191 HydrophobicContact CD1-CG 4.13Å; I160-P191 HydrophobicContact CG1-CG 4.15Å; I160-P191 HydrophobicContact CG2-CG 3.6Å; T189-P191 WeakPolarHBondContact O-CD 3.16Å; P191-S193 PolarHBondContact O-N 2.87Å | ||
| 192 | N | 28.2 | Very low | 28.5 | Very low | 153 Ų | 153 | 102 Ų | 102 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | trans | -70.1 | 84.3 | 167 | -96.6 | 41.7 | 0 | 0 | 0 | 109 | T190 | T190-N192 PolarHBondContact O-N 3.02Š| ||
| 193 | S | 25.3 | Very low | 28.4 | Very low | 94 Ų | 94 | 107.5 Ų | 107.5 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | trans | -48.1 | 143 | 159.5 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | P191 | P191-S193 PolarHBondContact O-N 2.87Š| ||
| 194 | S | 29.1 | Very low | 27.7 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | trans | 52.4 | 94.6 | 150.5 | -54.2 | 0 | 0 | 0 | 0 | 117.7 | S196 | S194-S196 VanDerWaalsContact CA-N 3.33Š| ||
| 195 | N | 25.3 | Very low | 27.4 | Very low | 158 Ų | 158 | 116 Ų | 116 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | -93.7 | 69.9 | 114.7 | -167.9 | 4.4 | 0 | 0 | 0 | 108.3 | |||||
| 196 | S | 27.1 | Very low | 27.3 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 47% | 0.469 | 67% | 0.674 | S | S | . | * | trans | -89.9 | 101 | 172.7 | -160.6 | 0 | 0 | 0 | 0 | 106.9 | S194 N198 | S194-S196 VanDerWaalsContact CA-N 3.33Å; S196-N198 WeakPolarHBondContact CB-OD1 3.49Å; S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-OD1 2.59Å | ||
| 197 | N | 25.8 | Very low | 27.3 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | trans | -72.2 | 79.4 | 169 | -115.1 | -0.1 | 0 | 0 | 0 | 108.3 | N199 | N197-N199 PolarHBondContact O-N 3.14Š| ||
| 198 | N | 24.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | trans | -73.1 | 110.3 | 174.8 | -73 | -2 | 0 | 0 | 0 | 109.6 | S196 | S196-N198 WeakPolarHBondContact CB-OD1 3.49Å; S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-OD1 2.59Å | ||
| 199 | N | 27.1 | Very low | 26.7 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | -149.6 | 90.1 | 147.9 | -97.4 | -28 | 0 | 0 | 0 | 105.9 | N197 | N197-N199 PolarHBondContact O-N 3.14Š| ||
| 200 | S | 25.7 | Very low | 26.8 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 53% | 0.531 | 73% | 0.725 | S | S | . | * | cis | 70.7 | 140.2 | 48.7 | -44.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 201 | N | 25 | Very low | 26.6 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 130.1 | 178.3 | -53.5 | -19 | 0 | 0 | 0 | 115.1 | ||||
| 202 | S | 28.3 | Very low | 26.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | -161.5 | 127.1 | -7.1 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 203 | K | 30.3 | Very low | 26.6 | Very low | 213 Ų | 213 | 136.1 Ų | 136.1 | 93% | 0.926 | 75% | 0.747 | S | S | * | * | trans | -155.7 | 87.6 | 132.4 | -126.7 | 176.7 | -176.4 | -179.9 | 0 | 111.3 | ||||
| 204 | M | 23.4 | Very low | 26.7 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 129.9 | 156.3 | -153.5 | 162.8 | 71.4 | 0 | 0 | 106.3 | ||||
| 205 | D | 27 | Very low | 26.4 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | 176.4 | 155.5 | 98.6 | -118.9 | -64.2 | 0 | 0 | 0 | 113.9 | |||||
| 206 | H | 28.9 | Very low | 26.3 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 66.2 | 149.2 | 166.8 | -65.5 | 16 | 0 | 0 | 0 | 117 | ||||
| 207 | V | 29.3 | Very low | 26.4 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | cis | -128 | 152.6 | 9.1 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 208 | K | 24.4 | Very low | 26.3 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 123.7 | 169.4 | -55.5 | 169.1 | -178.9 | 175.7 | 0 | 111.9 | ||||
| 209 | H | 26.7 | Very low | 26.1 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -164.8 | 171.7 | 141.6 | -130.4 | -104.8 | 0 | 0 | 0 | 112.4 | ||||
| 210 | L | 27.8 | Very low | 26 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 71.5 | 51.3 | 177.4 | -53.1 | -178.9 | 0 | 0 | 0 | 116.7 | ||||
| 211 | L | 23 | Very low | 25.8 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | -103.6 | 95.9 | 126.8 | -91.6 | 84.1 | 0 | 0 | 0 | 108.6 | |||||
| 212 | S | 25.4 | Very low | 25.8 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -172.2 | 152.8 | 160 | -84.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 213 | S | 29 | Very low | 25.5 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 62.4 | 64.5 | 170.6 | -53.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 214 | N | 28 | Very low | 25.2 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | -158.9 | 102.4 | 111.5 | -97.4 | -11.6 | 0 | 0 | 0 | 110.4 | |||||
| 215 | S | 22.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -100.3 | -179.3 | 169.8 | -167.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 216 | S | 23.8 | Very low | 24.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 68.9 | 90.9 | 165.2 | -53.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 217 | V | 27.4 | Very low | 24.8 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | -152.6 | 91.1 | 104.3 | 174.1 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 218 | M | 25.3 | Very low | 24.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 52.5 | 131.1 | 86.6 | -87 | -61.5 | -177.2 | 0 | 0 | 116 | |||||
| 219 | Y | 19.4 | Very low | 24.4 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -127.3 | 109.3 | -176.4 | -144.8 | -95.2 | 0 | 0 | 0 | 107.5 | E170 | E170-Y219 VanDerWaalsContact OE2-CE1 3.24Å; E170-Y219 WeakPolarHBondContact OE2-CE1 3.23Å | ||
| 220 | S | 24.3 | Very low | 24.3 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -147.4 | 136 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 221 | K | 23.3 | Very low | 24.2 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 49% | 0.491 | 77% | 0.765 | S | S | . | * | trans | -84.7 | 176.5 | 167.8 | -60.5 | 165.7 | -168.4 | 164.7 | 0 | 107.1 | D171 | D171-K221 IonicContact OD1-NZ 3.48Å; D171-K221 PolarHBondContact OD1-NZ 3.43Å; D171-K221 IonicContact OD2-NZ 3.96Å; D171-K221 PolarHBondContact OD2-NZ 3.41Å | ||
| 222 | S | 23.6 | Very low | 24.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -160.8 | 177.7 | 26.1 | -36.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 223 | V | 22.7 | Very low | 24.8 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | -29 | 164.7 | 154.4 | -64.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 224 | D | 23.2 | Very low | 24.9 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | cis | -170.7 | 157.3 | -17.2 | -93.5 | -24.2 | 0 | 0 | 0 | 106.8 | ||||
| 225 | S | 23.2 | Very low | 25 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 162 | 141.9 | 133.7 | -74.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 226 | E | 22.7 | Very low | 25.1 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 31.5 | 123.6 | 145.9 | -52.3 | -168.4 | 161.3 | 0 | 0 | 121.9 | ||||
| 227 | L | 25.7 | Very low | 25.2 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | -155.6 | -174.5 | 84.6 | -142.3 | 92 | 0 | 0 | 0 | 112 | |||||
| 228 | Y | 22.7 | Very low | 25.3 | Very low | 211 Ų | 211 | 131.6 Ų | 131.6 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -119 | 170.6 | -163.6 | -141 | -103.1 | 0 | 0 | 0 | 112.4 | ||||
| 229 | S | 23.5 | Very low | 25.3 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | 66.2 | 108 | 155.6 | 38.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 230 | S | 23.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | 89.5 | 146 | 108.6 | -62 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 231 | I | 26.3 | Very low | 25.6 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | 82.2 | 79.2 | 144.9 | -71 | 159.9 | 0 | 0 | 0 | 119.2 | ||||
| 232 | T | 25.2 | Very low | 25.6 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | 66.9 | 155.5 | 126.7 | 36.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 233 | P | 35.4 | Very low | 25.7 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -89.3 | -163.5 | -179.2 | 44.7 | -41.3 | 0 | 0 | 0 | 110.6 | ||||
| 234 | P | 30.6 | Very low | 26 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | cis | -142.4 | -121.2 | 24.3 | 31.5 | -0.3 | 0 | 0 | 0 | 118.7 | ||||
| 235 | P | 31.4 | Very low | 26.1 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | -141.5 | -165.9 | -106.6 | 47 | -29 | 0 | 0 | 0 | 117.3 | |||||
| 236 | L | 24.9 | Very low | 26.5 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | 70.6 | 157.8 | 154.7 | -66.7 | 171.5 | 0 | 0 | 0 | 117 | ||||
| 237 | S | 25.2 | Very low | 26.9 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 50% | 0.503 | 72% | 0.723 | S | S | . | * | cis | -168.1 | -138.6 | -26.3 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 238 | H | 28.6 | Very low | 27.1 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | trans | 86.3 | 108.7 | 164.4 | -50.3 | -61.9 | 0 | 0 | 0 | 115.4 | ||||
| 239 | T | 25.9 | Very low | 27.5 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | 101.3 | 152.5 | 73.9 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 240 | S | 23.2 | Very low | 27.6 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | cis | -171.4 | 169.9 | -16.5 | -95 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 241 | T | 26.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | 63.2 | 154.4 | 152.2 | 43.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 242 | S | 22.8 | Very low | 27.8 | Very low | 89 Ų | 89 | 116 Ų | 116 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | cis | -172.3 | 164.8 | -29 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 243 | T | 25.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 82% | 0.816 | 67% | 0.669 | S | S | * | * | trans | 67.1 | 152.6 | 178.4 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 244 | I | 29.4 | Very low | 27.3 | Very low | 157 Ų | 157 | 113.1 Ų | 113.1 | 81% | 0.805 | 66% | 0.655 | S | S | * | * | cis | -139.3 | 154 | 13.5 | -67.8 | 175.9 | 0 | 0 | 0 | 107.3 | ||||
| 245 | N | 26.9 | Very low | 27.3 | Very low | 144 Ų | 144 | 109.2 Ų | 109.2 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | cis | -179.1 | -175.2 | -25.8 | -171.8 | 13.3 | 0 | 0 | 0 | 107.1 | ||||
| 246 | V | 30.7 | Very low | 27 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | trans | 75.7 | 91.1 | 161 | -166.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 247 | N | 30.6 | Very low | 27.1 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | trans | 72 | 143.8 | 135.8 | -58.6 | -1.2 | 0 | 0 | 0 | 121 | ||||
| 248 | N | 30.3 | Very low | 27.3 | Very low | 121 Ų | 121 | 106.4 Ų | 106.4 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | cis | -163.5 | 142.8 | -16.5 | -111 | -14.5 | 0 | 0 | 0 | 113.2 | ||||
| 249 | T | 30.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 100.6 Ų | 100.6 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | trans | 34.9 | 121 | 138.9 | 67.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 250 | H | 26.3 | Very low | 27.4 | Very low | 183 Ų | 183 | 98.9 Ų | 98.9 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | cis | 51 | 158.4 | 48.8 | -101.9 | -50 | 0 | 0 | 0 | 114.2 | ||||
| 251 | P | 29 | Very low | 27.6 | Very low | 59 Ų | 59 | 101 Ų | 101 | 38% | 0.383 | 58% | 0.581 | S | S | . | * | cis | -147.1 | 179.1 | -8 | 35.6 | -11.8 | 0 | 0 | 0 | 117.9 | ||||
| 252 | S | 23.9 | Very low | 27.7 | Very low | 52 Ų | 52 | 100.4 Ų | 100.4 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | trans | 75 | -169.2 | 133.6 | 60.9 | 0 | 0 | 0 | 0 | 124 | S406 L407 | S252-S406 CarbonylContact O-C 3.58Å; S252-S406 VanDerWaalsContact O-CA 3.24Å; S252-S406 WeakPolarHBondContact O-CA 3.15Å; S252-L407 PolarHBondContact O-N 3.42Å; S252-L407 WeakPolarHBondContact OG-CB 3.38Å; S252-L407 WeakPolarHBondContact OG-CD1 3.27Å | ||
| 253 | N | 24.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 101.6 Ų | 101.6 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | trans | -127.3 | 141.3 | -141.3 | 46.4 | -97.1 | 0 | 0 | 0 | 120.5 | S406 L407 | N253-S406 VanDerWaalsContact CA-CA 3.47Å; N253-L407 WeakPolarHBondContact O-CD2 3.3Å; N253-L407 WeakPolarHBondContact O-CG 3.49Å | ||
| 254 | S | 26.9 | Very low | 27.8 | Very low | 60 Ų | 60 | 101.6 Ų | 101.6 | 42% | 0.42 | 58% | 0.575 | S | S | . | * | trans | -168 | 144.8 | 152.7 | 33.9 | 0 | 0 | 0 | 0 | 114.9 | T405 S406 | S254-T405 CarbonylContact O-C 3.6Å; S254-T405 VanDerWaalsContact O-CA 3.25Å; S254-T405 WeakPolarHBondContact O-CA 3.44Å; S254-T405 PolarHBondContact O-N 2.8Å; S254-S406 VanDerWaalsContact N-CA 3.34Å; S254-S406 PolarHBondContact N-O 2.83Å; S254-S406 VanDerWaalsContact N-O 3.12Å; S254-S406 PolarHBondContact O-N 2.86Å; S254-S406 PolarHBondContact OG-O 3.34Å | ||
| 255 | G | 30 | Very low | 27.6 | Very low | 35 Ų | 35 | 99 Ų | 99 | 36% | 0.361 | 57% | 0.571 | S | S | . | * | trans | 131 | 15.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | Q404 | G255-Q404 WeakPolarHBondContact O-CB 3.4Š| ||
| 256 | I | 26.5 | Very low | 27.6 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | 12.4 | 125 | 129.9 | -68.2 | 161.7 | 0 | 0 | 0 | 114.6 | Y402 | I256-Y402 HydrophobicContact CG2-CE1 4.44Š| |||
| 257 | D | 26.4 | Very low | 27.5 | Very low | 90 Ų | 90 | 99.3 Ų | 99.3 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | 179.1 | -173.3 | 80.4 | -130 | -22.2 | 0 | 0 | 0 | 110 | |||||
| 258 | T | 29.2 | Very low | 27.1 | Very low | 71 Ų | 71 | 103.6 Ų | 103.6 | 44% | 0.436 | 59% | 0.588 | S | S | . | * | cis | -147.5 | 161.6 | -5.1 | 16.4 | 0 | 0 | 0 | 0 | 103.6 | P400 I401 Y402 | T258-P400 WeakPolarHBondContact O-CB 3.28Å; T258-I401 CarbonylContact O-C 2.8Å; T258-I401 WeakPolarHBondContact O-CA 3.38Å; T258-I401 PolarHBondContact O-N 3.39Å; T258-Y402 PolarHBondContact O-N 3.43Å | ||
| 259 | S | 27.2 | Very low | 26.8 | Very low | 30 Ų | 30 | 103.9 Ų | 103.9 | 21% | 0.21 | 59% | 0.589 | C | S | . | * | cis | -172.7 | -168.5 | -16.6 | 59.1 | 0 | 0 | 0 | 0 | 106.4 | P400 I401 | S259-P400 CarbonylContact O-C 3.49Å; S259-P400 WeakPolarHBondContact O-CG 3.24Å; S259-P400 WeakPolarHBondContact OG-CG 3.31Å; S259-I401 WeakPolarHBondContact O-CG1 3.38Å | ||
| 260 | N | 28.7 | Very low | 26.5 | Very low | 85 Ų | 85 | 106.5 Ų | 106.5 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | trans | 70.4 | 124.1 | 168.7 | -51.4 | 11.3 | 0 | 0 | 0 | 116.6 | P400 I401 | N260-P400 HydrophobicContact CB-CG 4.1Å; N260-I401 WeakPolarHBondContact O-CD1 3.42Å; N260-I401 WeakPolarHBondContact O-CG1 3.48Å | ||
| 261 | N | 28 | Very low | 26.4 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | cis | -153.9 | 148.5 | 16.5 | -114.5 | 2.4 | 0 | 0 | 0 | 114.7 | ||||
| 262 | I | 28.2 | Very low | 26.2 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | trans | 74.5 | 85.1 | 142.7 | -60.2 | 170.2 | 0 | 0 | 0 | 120.1 | ||||
| 263 | T | 24.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 69% | 0.693 | 62% | 0.621 | S | S | * | * | 55.4 | 148.3 | 126.3 | 62.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 264 | T | 25.5 | Very low | 26.1 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 82% | 0.816 | 63% | 0.629 | S | S | * | * | trans | 72.7 | 141.6 | 160.8 | 56.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 265 | S | 26.6 | Very low | 26 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | cis | -166 | 145.4 | -12.2 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 266 | V | 25.8 | Very low | 25.8 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 86% | 0.855 | 67% | 0.668 | S | S | * | * | trans | 69.1 | 148.6 | 149.3 | 172.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 267 | P | 28.6 | Very low | 25.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | trans | -125.1 | 177.8 | -166.3 | 42.4 | -25.7 | 0 | 0 | 0 | 117.5 | ||||
| 268 | Y | 21.7 | Very low | 26.1 | Very low | 220 Ų | 220 | 132.1 Ų | 132.1 | 86% | 0.863 | 69% | 0.688 | S | S | * | * | trans | 16.4 | 113.7 | 157.3 | -77.9 | -86.5 | 0 | 0 | 0 | 122.8 | ||||
| 269 | D | 23.9 | Very low | 25.8 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | 48.9 | 139.1 | 117.5 | -146.9 | 27.8 | 0 | 0 | 0 | 123.7 | |||||
| 270 | K | 25.3 | Very low | 25.8 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | 83.5 | 110.4 | 158 | -78 | 171.4 | -172.9 | 173.5 | 0 | 124.9 | ||||
| 271 | D | 24.8 | Very low | 25.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | 111.4 | 121.8 | 114.6 | -78 | -31.3 | 0 | 0 | 0 | 123.3 | |||||
| 272 | Y | 24.3 | Very low | 25.8 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | 76.8 | 169 | 151.2 | -92.4 | -96.7 | 0 | 0 | 0 | 122.9 | ||||
| 273 | C | 22.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -128.5 | 176.2 | -140.7 | -54.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 274 | I | 23.1 | Very low | 25.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 131.7 | 125.7 | 152.8 | -70.4 | 158.4 | 0 | 0 | 0 | 108.4 | ||||
| 275 | R | 25.8 | Very low | 25.7 | Very low | 202 Ų | 202 | 138 Ų | 138 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | -165 | 144.7 | 52.1 | -147 | 158.2 | -133.3 | -135 | 4.2 | 113.4 | |||||
| 276 | R | 25.6 | Very low | 25.7 | Very low | 222 Ų | 222 | 138.8 Ų | 138.8 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | 52 | 136.6 | 152.4 | -70.5 | 173.9 | -178 | -174 | -2.3 | 122.5 | ||||
| 277 | S | 26.2 | Very low | 25.7 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | -108.8 | 173.9 | 159.1 | -40.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 278 | P | 32.3 | Very low | 25.8 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | -155.9 | 155 | 73.4 | 39.3 | -18 | 0 | 0 | 0 | 119.7 | |||||
| 279 | I | 23.4 | Very low | 26.2 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 43% | 0.426 | 72% | 0.719 | S | S | . | * | trans | 47.4 | 123.1 | 140.7 | -51.8 | 163.2 | 0 | 0 | 0 | 121 | L1570 L1574 | I279-L1570 HydrophobicContact CD1-CD2 4.28Å; I279-L1570 HydrophobicContact CD1-CG 4.29Å; I279-L1574 HydrophobicContact CG1-CD1 4.34Å | ||
| 280 | I | 27.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | -169.4 | 156.6 | 120.2 | -99.4 | 167.8 | 0 | 0 | 0 | 109.2 | |||||
| 281 | V | 25.7 | Very low | 26.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 60% | 0.6 | 72% | 0.723 | S | S | * | * | trans | -127 | 130.1 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 108.9 | L1560 | V281-L1560 HydrophobicContact CB-CD1 4.04Å; V281-L1560 HydrophobicContact CG1-CD1 4.02Å; V281-L1560 HydrophobicContact CG2-CD1 3.99Å | ||
| 282 | P | 31 | Very low | 26.8 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | -138.4 | 170.4 | 129.1 | 38.2 | -26.7 | 0 | 0 | 0 | 113.4 | |||||
| 283 | S | 26.9 | Very low | 27 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -97.1 | 166.1 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 284 | L | 27.2 | Very low | 27.2 | Very low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 81 | 117.8 | 178.6 | -69.4 | 80.2 | 0 | 0 | 0 | 116.8 | ||||
| 285 | C | 22.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 75% | 0.75 | 71% | 0.708 | S | S | * | * | 31.3 | 140.4 | 113.6 | -59.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 286 | T | 26.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | cis | -174.4 | 159.2 | 8 | 14 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 287 | V | 25.8 | Very low | 27.8 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | 45.7 | 131.1 | 139.8 | 175.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 288 | S | 30.2 | Very low | 28.2 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -171.1 | 156.7 | 136.9 | -87.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 289 | K | 30.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | cis | -166 | 168.7 | -27.5 | -115.6 | 173 | -176.6 | 176.4 | 0 | 105.8 | ||||
| 290 | T | 30 | Very low | 27.9 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | 166.4 | 159.3 | 86.1 | 42.2 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 291 | I | 28.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | cis | -166.4 | 143.1 | -7 | -101.4 | 166.4 | 0 | 0 | 0 | 103 | ||||
| 292 | C | 28.3 | Very low | 27.9 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 58% | 0.581 | 74% | 0.735 | S | S | * | * | -167.4 | 151.2 | 61.9 | -130.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 293 | E | 28.5 | Very low | 27.7 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | 41.9 | 142.7 | 130.6 | -76.3 | 157.3 | -162.1 | 0 | 0 | 123 | ||||
| 294 | E | 26.7 | Very low | 27.8 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -165.5 | 170.2 | -7.1 | -147.5 | -177.4 | -152.1 | 0 | 0 | 112.1 | ||||
| 295 | N | 29.8 | Very low | 27.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | 79 | 115.7 | 153.2 | -66.1 | -44.4 | 0 | 0 | 0 | 124.5 | ||||
| 296 | L | 29.2 | Very low | 28.2 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | 69.7 | 157.4 | 136 | -86.8 | 67.7 | 0 | 0 | 0 | 122.6 | ||||
| 297 | A | 26.9 | Very low | 28.4 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -136.9 | -171.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 298 | P | 35.1 | Very low | 29.2 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | cis | -132.6 | -161.6 | -4.3 | 39.2 | -17.8 | 0 | 0 | 0 | 114.4 | ||||
| 299 | C | 23.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 130 Ų | 130 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -69.4 | 146 | -166.8 | -43.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 300 | S | 26.2 | Very low | 29.3 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | 159.9 | 151.2 | 101.7 | 56 | 0 | 0 | 0 | 0 | 117 | |||||
| 301 | L | 26.1 | Very low | 29.3 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | 71.8 | 109.7 | 154.4 | -71 | 162.7 | 0 | 0 | 0 | 124.1 | ||||
| 302 | S | 25.9 | Very low | 29.4 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | 80.3 | 118.8 | 123 | -67.5 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 303 | L | 27.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | 54.3 | 150.5 | 123.7 | -79 | 77.4 | 0 | 0 | 0 | 120.4 | |||||
| 304 | T | 27.8 | Very low | 29.4 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | cis | -168.4 | -171.7 | 10.6 | 6.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 305 | Y | 29.5 | Very low | 29.5 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | 107.8 | 139.5 | 152.2 | -76.6 | -88.3 | 0 | 0 | 0 | 117.7 | I307 | Y305-I307 HydrophobicContact CD1-CB 4.41Å; Y305-I307 HydrophobicContact CD1-CG2 3.85Å; Y305-I307 HydrophobicContact CE1-CD1 4.12Å; Y305-I307 HydrophobicContact CE1-CG2 3.9Å | ||
| 306 | S | 29.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -135.7 | 164.3 | 7.9 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 307 | I | 31.9 | Very low | 29.1 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 64% | 0.641 | 73% | 0.727 | S | S | * | * | cis | 80.2 | 148.8 | 15.7 | -103.7 | 175.9 | 0 | 0 | 0 | 115.4 | Y305 | Y305-I307 HydrophobicContact CD1-CB 4.41Å; Y305-I307 HydrophobicContact CD1-CG2 3.85Å; Y305-I307 HydrophobicContact CE1-CD1 4.12Å; Y305-I307 HydrophobicContact CE1-CG2 3.9Å | ||
| 308 | P | 42.5 | Very low | 29 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 59% | 0.591 | 73% | 0.728 | S | S | * | * | cis | -146.6 | 170.2 | -17.2 | 44.2 | -26.6 | 0 | 0 | 0 | 118.6 | ||||
| 309 | Q | 31.2 | Very low | 28.5 | Very low | 175 Ų | 175 | 125.7 Ų | 125.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 55.1 | 179.2 | 132.9 | -69.6 | -178.8 | -12.8 | 0 | 0 | 120.8 | ||||
| 310 | V | 30.8 | Very low | 28.9 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | cis | -148.3 | 138.2 | 30.4 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 311 | T | 30.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | -138.4 | -113 | 69.9 | 54.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 312 | T | 31 | Very low | 28.7 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | -152.8 | -171.2 | -144.3 | 53.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 313 | T | 28.3 | Very low | 28.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | cis | -167.4 | 168.4 | 27.7 | -24.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 314 | C | 27.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | trans | 63.5 | 84.2 | 167.6 | -58 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 315 | T | 29.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | 61 | 116.6 | 78.3 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 316 | E | 23.4 | Very low | 28.1 | Very low | 176 Ų | 176 | 122 Ų | 122 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | cis | 73.4 | 139 | 48.7 | -65.1 | -162.4 | 173.6 | 0 | 0 | 114.7 | ||||
| 317 | T | 25.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -154.1 | 157 | 1.8 | 6.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 318 | V | 26.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 30.4 | 126.9 | 153.4 | -175.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 319 | T | 23.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 176 | 168 | 126.3 | 29.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 320 | V | 31.7 | Very low | 26.4 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 68.7 | 121.9 | 164.2 | -168.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 321 | S | 22.1 | Very low | 26.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -89 | 145.6 | 157.6 | -45.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 322 | P | 26 | Very low | 26.3 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | -133.6 | 165.6 | 123.4 | 38.1 | -30.3 | 0 | 0 | 0 | 114.4 | |||||
| 323 | S | 24.7 | Very low | 26.1 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -45.1 | 153.3 | 172.9 | 54.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 324 | H | 23.1 | Very low | 25.9 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | 26.4 | 143.2 | 127.6 | -61.7 | -94.2 | 0 | 0 | 0 | 119.8 | |||||
| 325 | S | 23.2 | Very low | 25.9 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | cis | 177 | 148.4 | -2.9 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 326 | S | 27.6 | Very low | 25.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -179.1 | 104.5 | 139.6 | -81.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 327 | L | 24.1 | Very low | 26 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | 89.7 | 154.2 | 58.4 | -76.6 | 168.7 | 0 | 0 | 0 | 113 | |||||
| 328 | L | 25.9 | Very low | 25.9 | Very low | 144 Ų | 144 | 132 Ų | 132 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 91.7 | 120.8 | 168.1 | -54.6 | -177.1 | 0 | 0 | 0 | 117.6 | ||||
| 329 | Y | 28 | Very low | 25.7 | Very low | 192 Ų | 192 | 129 Ų | 129 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 53 | 114.6 | 147.5 | -70.6 | -105.3 | 0 | 0 | 0 | 118.2 | ||||
| 330 | E | 22.3 | Very low | 25.8 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 71% | 0.71 | 71% | 0.712 | S | S | * | * | 62.1 | 75.3 | 79 | -168.8 | 179.6 | -117.3 | 0 | 0 | 112.8 | |||||
| 331 | S | 27.4 | Very low | 25.5 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | 175.8 | 154.2 | 141.9 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 332 | G | 31 | Very low | 25.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | trans | 112 | 66.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 333 | L | 27.3 | Very low | 25.4 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | 54.5 | 80.6 | 143.5 | -64.9 | 159 | 0 | 0 | 0 | 119.1 | ||||
| 334 | F | 24.3 | Very low | 25.4 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 91% | 0.912 | 69% | 0.692 | S | S | * | * | trans | -164 | 120.3 | 147.1 | -112.7 | -70.4 | 0 | 0 | 0 | 112.9 | ||||
| 335 | N | 27.2 | Very low | 25.5 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | 58.2 | 154.7 | 172.5 | -111.9 | -21 | 0 | 0 | 0 | 116.7 | N337 | N335-N337 PolarHBondContact OD1-N 2.97Š| ||
| 336 | P | 26.8 | Very low | 25.6 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 57% | 0.565 | 71% | 0.705 | S | S | * | * | cis | -137.1 | 147.8 | 42.7 | 40.3 | -23 | 0 | 0 | 0 | 117.7 | ||||
| 337 | N | 27.6 | Very low | 25.6 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 31% | 0.31 | 70% | 0.703 | S | S | . | * | 175.6 | 161.1 | 116.1 | -86.1 | -15.3 | 0 | 0 | 0 | 111.3 | N335 I1192 L1193 S1268 | N335-N337 PolarHBondContact OD1-N 2.97Å; N337-I1192 VanDerWaalsContact C-CG2 3.43Å; N337-I1192 WeakPolarHBondContact O-CG2 3.47Å; N337-L1193 HydrophobicContact CB-CB 3.79Å; N337-L1193 HydrophobicContact CB-CD2 3.58Å; N337-L1193 HydrophobicContact CB-CG 4.37Å; N337-L1193 VanDerWaalsContact OD1-CD2 3.28Å; N337-L1193 WeakPolarHBondContact OD1-CD2 3.39Å; N337-S1268 PolarHBondContact OD1-OG 3.44Å | |||
| 338 | Y | 23.6 | Very low | 25.8 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -132.5 | 146.6 | -166.9 | -168.1 | -107.9 | 0 | 0 | 0 | 117.7 | I1192 L1193 | Y338-I1192 WeakPolarHBondContact O-CG2 3.33Å; Y338-L1193 WeakPolarHBondContact O-CA 3.12Å; Y338-L1193 WeakPolarHBondContact O-CB 3.36Å; Y338-L1193 WeakPolarHBondContact O-CD1 3.28Å | ||
| 339 | S | 23.2 | Very low | 25.6 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 43% | 0.427 | 70% | 0.702 | S | S | . | * | trans | 71.4 | 137.8 | -178 | -158.5 | 0 | 0 | 0 | 0 | 121.1 | I1192 L1193 | S339-I1192 VanDerWaalsContact C-CG1 3.5Å; S339-I1192 WeakPolarHBondContact O-CG1 3.49Å; S339-I1192 WeakPolarHBondContact O-CG2 3.4Å; S339-L1193 PolarHBondContact O-N 2.97Å; S339-L1193 VanDerWaalsContact O-N 3.15Å | ||
| 340 | Q | 24.9 | Very low | 25.5 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | trans | 101.8 | 88.4 | -175.1 | -72.8 | -141.4 | 22.1 | 0 | 0 | 121.2 | I1192 | Q340-I1192 VanDerWaalsContact C-CD1 3.44Å; Q340-I1192 HydrophobicContact CB-CG1 4.29Å; Q340-I1192 WeakPolarHBondContact O-CD1 3.33Å; Q340-I1192 WeakPolarHBondContact O-CG1 3.41Å | ||
| 341 | N | 24.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | trans | 92.5 | 110.2 | 133.5 | -72 | -44.7 | 0 | 0 | 0 | 122.9 | ||||
| 342 | I | 24.4 | Very low | 25.5 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | 76.6 | 98.4 | 140.1 | -55 | 164.6 | 0 | 0 | 0 | 117.4 | ||||
| 343 | F | 23.2 | Very low | 25.3 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 79% | 0.789 | 71% | 0.708 | S | S | * | * | -174.2 | 159.3 | 122.3 | -92.8 | -56.4 | 0 | 0 | 0 | 107.6 | |||||
| 344 | N | 23.4 | Very low | 25.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 52% | 0.519 | 70% | 0.703 | S | S | . | * | cis | -155.6 | 136.8 | 7.9 | -135 | -49.6 | 0 | 0 | 0 | 110.2 | ||||
| 345 | L | 26.6 | Very low | 25.3 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | trans | -142.6 | 110.3 | 145.4 | -102.7 | 178.9 | 0 | 0 | 0 | 109.6 | ||||
| 346 | K | 24.1 | Very low | 25.5 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | trans | -72.7 | 172.2 | 174.4 | -79.4 | 179.6 | 179.4 | 179.4 | 0 | 110.9 | ||||
| 347 | P | 28.6 | Very low | 25.5 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | cis | -123 | -169.3 | 12.9 | 28.8 | -3.6 | 0 | 0 | 0 | 111.7 | ||||
| 348 | V | 27 | Very low | 25.7 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | cis | -150.3 | 140.7 | 33.3 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 349 | S | 22.8 | Very low | 26.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -81.2 | 147.4 | 162.7 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 350 | S | 25 | Very low | 26.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | -167.2 | 161.3 | 59.9 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 351 | V | 24.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -83.2 | 130.6 | 160.2 | 169.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 352 | E | 25.7 | Very low | 26.7 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -89.1 | 138.9 | 160.7 | -149.5 | 165.6 | -155.6 | 0 | 0 | 107.5 | ||||
| 353 | E | 27.2 | Very low | 26.9 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 59.5 | 93.2 | -178.9 | -51.3 | -164.5 | 132.5 | 0 | 0 | 115.6 | ||||
| 354 | M | 25.9 | Very low | 27 | Very low | 157 Ų | 157 | 138 Ų | 138 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | 59.6 | 104.4 | 72.4 | -71.1 | -165.7 | -79.1 | 0 | 0 | 117.6 | |||||
| 355 | N | 24.9 | Very low | 27.2 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 64.2 | 96.6 | 125.9 | -51.5 | -12.4 | 0 | 0 | 0 | 120 | |||||
| 356 | T | 32.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | -173.5 | 109 | 110.3 | 20.2 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 357 | E | 27.6 | Very low | 27.2 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | 64.4 | 123.1 | 81.6 | -72.9 | -161.3 | 155.4 | 0 | 0 | 114.9 | |||||
| 358 | N | 30.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 75.4 | 138.5 | 167.6 | -44 | -44.6 | 0 | 0 | 0 | 115.9 | ||||
| 359 | D | 30.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | cis | -150.8 | 175.8 | 3.3 | -137.1 | -36.2 | 0 | 0 | 0 | 113.8 | ||||
| 360 | H | 31.1 | Very low | 28.1 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -79.8 | 153.8 | -168.8 | -92.4 | -92.6 | 0 | 0 | 0 | 117 | ||||
| 361 | L | 30.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 65.9 | 97.4 | 154.8 | -96.1 | 69.5 | 0 | 0 | 0 | 119.6 | ||||
| 362 | S | 25.7 | Very low | 28.5 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 50.1 | 109.4 | 130.4 | 62.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 363 | T | 27.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | -159.8 | 166.8 | 103 | 10.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 364 | S | 26.2 | Very low | 29 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 160.8 | -173.1 | 53.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 365 | S | 27.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 64.7 | 136.5 | 142 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 366 | S | 26 | Very low | 28.7 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | -120.7 | 141 | 153.2 | 55.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 367 | S | 25.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -113 | 143.9 | 165.8 | 48 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 368 | S | 34.9 | Very low | 28.3 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -77.8 | 142.5 | 150.8 | 42.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 369 | S | 29.7 | Very low | 28.1 | Very low | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 71% | 0.714 | S | S | * | * | cis | -56.5 | 128.5 | 9 | 49.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 370 | S | 33 | Very low | 27.9 | Very low | 46 Ų | 46 | 123.9 Ų | 123.9 | 32% | 0.322 | 71% | 0.714 | S | S | . | * | 76.6 | 140.5 | 50.6 | 79.1 | 0 | 0 | 0 | 0 | 113.8 | Y378 | S370-Y378 PolarHBondContact OG-O 3.15Š| |||
| 371 | S | 30.8 | Very low | 27.7 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | cis | -159.8 | 162.8 | -15.6 | -105.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 372 | I | 25.3 | Very low | 27.4 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 38.9 | 101.6 | 150.6 | -59.2 | 169.5 | 0 | 0 | 0 | 117.4 | ||
| 373 | S | 31 | Very low | 27.4 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 51.5 | 112.6 | 156.7 | 66.1 | 0 | 0 | 0 | 0 | 119.4 | ||
| 374 | K | 33.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 66 | 78.9 | 170.6 | -55.7 | 179.7 | -178.7 | 176.7 | 0 | 115.7 | ||
| 375 | Q | 21 | Very low | 27.6 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 70.5 | 134.3 | 161.5 | -52.8 | 167.8 | -90.2 | 0 | 0 | 116.2 | ||
| 376 | S | 22.2 | Very low | 27.4 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | 64.6 | 135.4 | 154.5 | 61.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 377 | N | 26.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | trans | 81.6 | 123.8 | 138.4 | -72.6 | -4.4 | 0 | 0 | 0 | 122.5 | ||||
| 378 | Y | 26.5 | Very low | 27.4 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | trans | 64.8 | 161.8 | 142.4 | -61.7 | -47.7 | 0 | 0 | 0 | 117.6 | S370 | S370-Y378 PolarHBondContact OG-O 3.15Š| ||
| 379 | Q | 26.3 | Very low | 27.1 | Very low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | cis | -148.9 | 179.1 | -12 | -131.2 | 162 | -16.3 | 0 | 0 | 110.7 | ||||
| 380 | N | 25.4 | Very low | 27.1 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | -13 | 147.5 | 163.6 | -51 | -11.6 | 0 | 0 | 0 | 119.1 | ||||
| 381 | D | 27.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -142.4 | 154 | 153.4 | -142.5 | -27.5 | 0 | 0 | 0 | 111.8 | ||||
| 382 | S | 25.3 | Very low | 26.9 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -161.9 | 110.7 | -165.5 | 60.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 383 | R | 25 | Very low | 27.1 | Very low | 242 Ų | 242 | 137.5 Ų | 137.5 | 91% | 0.913 | 73% | 0.726 | S | S | * | * | trans | 59.7 | -176 | 170.4 | -54.9 | 179.8 | 163.8 | 179.8 | -5.3 | 113.2 | ||||
| 384 | P | 32.9 | Very low | 27.1 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -127.4 | -178.8 | -18.4 | 39 | -22.5 | 0 | 0 | 0 | 114.5 | ||||
| 385 | N | 23.6 | Very low | 26.8 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 54.3 | 109.7 | 140.9 | -72.2 | 8.1 | 0 | 0 | 0 | 123.4 | ||||
| 386 | S | 24.6 | Very low | 27.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | 95.2 | 143.7 | 106.3 | 77.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 387 | Y | 24.9 | Very low | 27.4 | Very low | 212 Ų | 212 | 132.2 Ų | 132.2 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | trans | 63.6 | 146 | 155.9 | -64.4 | -53.7 | 0 | 0 | 0 | 118.2 | ||||
| 388 | N | 25.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | cis | -168.3 | -179.7 | -20 | -162.3 | -5.9 | 0 | 0 | 0 | 106.9 | ||||
| 389 | I | 29.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | 70.1 | 134.1 | 155.6 | -65.9 | 158.1 | 0 | 0 | 0 | 116.1 | ||||
| 390 | S | 29.6 | Very low | 28.3 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | cis | -173.8 | 144.9 | -15.1 | 54.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | S | 29.4 | Very low | 28.6 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 64.5 | 161.8 | 138.4 | 74.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 392 | V | 30.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | cis | -145.6 | 156 | -1.6 | -129.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 393 | N | 29.2 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | trans | 52.8 | 108.1 | 146.8 | -62 | -9.7 | 0 | 0 | 0 | 121.6 | ||||
| 394 | S | 30.6 | Very low | 29 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | -155.2 | 155.1 | 120.2 | -77.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 395 | C | 27.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | -107.8 | 165.1 | -160.3 | -60.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 396 | S | 27.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 117 Ų | 117 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | 105.1 | 113 | 149.6 | -50.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 397 | S | 28.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | 63.9 | 113.6 | 140.4 | 57.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 398 | S | 28.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | 109.1 | 130.4 | 125.2 | 76.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 399 | S | 29.2 | Very low | 29.9 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | trans | 91.6 | 141.9 | 147.2 | -57.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 400 | P | 41.2 | Very low | 29.8 | Very low | 56 Ų | 56 | 111.9 Ų | 111.9 | 36% | 0.364 | 66% | 0.661 | S | S | . | * | trans | -147.7 | -178.1 | -150.4 | 35.9 | -8.3 | 0 | 0 | 0 | 117.8 | T258 S259 N260 | T258-P400 WeakPolarHBondContact O-CB 3.28Å; S259-P400 CarbonylContact O-C 3.49Å; S259-P400 WeakPolarHBondContact O-CG 3.24Å; S259-P400 WeakPolarHBondContact OG-CG 3.31Å; N260-P400 HydrophobicContact CB-CG 4.1Å | ||
| 401 | I | 31.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 114 Ų | 114 | 65% | 0.646 | 67% | 0.665 | S | S | * | * | trans | -177.2 | 141.3 | 148.1 | -99 | -176.1 | 0 | 0 | 0 | 113.3 | T258 S259 N260 | T258-I401 CarbonylContact O-C 2.8Å; T258-I401 WeakPolarHBondContact O-CA 3.38Å; T258-I401 PolarHBondContact O-N 3.39Å; S259-I401 WeakPolarHBondContact O-CG1 3.38Å; N260-I401 WeakPolarHBondContact O-CD1 3.42Å; N260-I401 WeakPolarHBondContact O-CG1 3.48Å | ||
| 402 | Y | 28.7 | Very low | 29.7 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 48% | 0.482 | 67% | 0.674 | S | S | . | * | trans | -29.3 | 172 | 175.2 | -75.4 | -85.2 | 0 | 0 | 0 | 122.4 | I256 T258 | I256-Y402 HydrophobicContact CG2-CE1 4.44Å; T258-Y402 PolarHBondContact O-N 3.43Å | ||
| 403 | H | 28.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | cis | -163.3 | 163.7 | 18.6 | -132.6 | -66.7 | 0 | 0 | 0 | 112.4 | ||||
| 404 | Q | 27.7 | Very low | 29.6 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | trans | -151.4 | -172.3 | 173.7 | -123.8 | -174.2 | 52.3 | 0 | 0 | 117.8 | G255 | G255-Q404 WeakPolarHBondContact O-CB 3.4Š| ||
| 405 | T | 30.7 | Very low | 29.7 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 64% | 0.644 | 68% | 0.677 | S | S | * | * | trans | -142.6 | 142.2 | -144 | 57.2 | 0 | 0 | 0 | 0 | 120.9 | S254 | S254-T405 CarbonylContact O-C 3.6Å; S254-T405 VanDerWaalsContact O-CA 3.25Å; S254-T405 WeakPolarHBondContact O-CA 3.44Å; S254-T405 PolarHBondContact O-N 2.8Å | ||
| 406 | S | 28.5 | Very low | 29.9 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | 68.2 | 140.9 | 162.9 | -58.4 | 0 | 0 | 0 | 0 | 122.9 | S252 N253 S254 | S252-S406 CarbonylContact O-C 3.58Å; S252-S406 VanDerWaalsContact O-CA 3.24Å; S252-S406 WeakPolarHBondContact O-CA 3.15Å; N253-S406 VanDerWaalsContact CA-CA 3.47Å; S254-S406 VanDerWaalsContact N-CA 3.34Å; S254-S406 PolarHBondContact N-O 2.83Å; S254-S406 VanDerWaalsContact N-O 3.12Å; S254-S406 PolarHBondContact O-N 2.86Å; S254-S406 PolarHBondContact OG-O 3.34Å | ||
| 407 | L | 29.3 | Very low | 30.1 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 47% | 0.466 | 68% | 0.681 | S | S | . | * | trans | -97 | 175.8 | -161.1 | -119.9 | -161.1 | 0 | 0 | 0 | 118.7 | S252 N253 | S252-L407 PolarHBondContact O-N 3.42Å; S252-L407 WeakPolarHBondContact OG-CB 3.38Å; S252-L407 WeakPolarHBondContact OG-CD1 3.27Å; N253-L407 WeakPolarHBondContact O-CD2 3.3Å; N253-L407 WeakPolarHBondContact O-CG 3.49Å | ||
| 408 | K | 26.8 | Very low | 30.4 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 57% | 0.574 | 68% | 0.682 | S | S | * | * | trans | 99 | 151.1 | 142.9 | -95.8 | -164.6 | 174.7 | -172.2 | 0 | 118 | ||||
| 409 | P | 35.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 60% | 0.604 | 68% | 0.68 | S | S | * | * | -147.6 | -169 | -57.7 | 40.9 | -20 | 0 | 0 | 0 | 114.9 | |||||
| 410 | I | 27.8 | Very low | 30.5 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | 70 | 143.7 | 157.5 | -63.5 | 168.3 | 0 | 0 | 0 | 116.9 | ||||
| 411 | D | 24.8 | Very low | 30 | Very low | 131 Ų | 131 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | cis | -168.8 | -176.6 | -31.8 | -96.9 | -39.7 | 0 | 0 | 0 | 109.4 | ||||
| 412 | H | 30.3 | Very low | 29.8 | Very low | 193 Ų | 193 | 126.3 Ų | 126.3 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | trans | 96.2 | 139.5 | -176.7 | -54.9 | -54.9 | 0 | 0 | 0 | 114 | ||||
| 413 | S | 32.4 | Very low | 29.8 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | cis | -139.7 | 167.5 | 12.2 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 414 | N | 26.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -80.3 | 175 | 176.9 | -64.9 | -41.9 | 0 | 0 | 0 | 113.9 | ||||
| 415 | I | 32.1 | Very low | 30 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | trans | 78.5 | 108.5 | 167.3 | -50.1 | 162.8 | 0 | 0 | 0 | 112.1 | ||||
| 416 | D | 31.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | -152.4 | 179.8 | 76.1 | -131.4 | -39.3 | 0 | 0 | 0 | 115.4 | |||||
| 417 | M | 31.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -81.7 | 150 | -169.4 | -68.8 | -108.4 | 81.7 | 0 | 0 | 116 | ||||
| 418 | P | 35.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -103.7 | 155.3 | -166.2 | 39.2 | -36.5 | 0 | 0 | 0 | 116.8 | ||||
| 419 | G | 30.6 | Very low | 29.6 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 174.2 | 135.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 420 | S | 30.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 70.8 | 130.5 | -176 | -163.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 421 | S | 29.4 | Very low | 29.9 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -158.7 | 159.3 | -7.4 | -93.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 422 | T | 27.8 | Very low | 30 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 66.7 | 130.7 | 151 | 43.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 423 | V | 29.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 93.1 | 107.8 | 137.1 | 165.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 424 | I | 30.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 62.4 | 130.5 | 141 | -63.3 | 178.8 | 0 | 0 | 0 | 119 | ||||
| 425 | C | 29.1 | Very low | 29.5 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | cis | -156.3 | 167.7 | -14.5 | -109.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 426 | S | 27.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -141.3 | 128.7 | -163.2 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 427 | L | 27.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | 73.9 | 123.6 | 92.6 | -68.5 | 164 | 0 | 0 | 0 | 116.6 | |||||
| 428 | T | 25.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 67.2 | 158.8 | 140.2 | 59 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 429 | T | 27.7 | Very low | 28.9 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | cis | -164.9 | 143.2 | 1.5 | 4.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 430 | T | 27.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 57.1 | 162.3 | 146.7 | 48.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 431 | P | 40.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -123.7 | 175.9 | -169.6 | 31.6 | -10.2 | 0 | 0 | 0 | 116 | ||||
| 432 | F | 27.1 | Very low | 28.5 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | trans | 160.9 | 138.9 | 134.6 | -102.8 | -123.6 | 0 | 0 | 0 | 116.1 | ||||
| 433 | I | 27.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | 60.2 | 112.5 | 140 | -67.8 | -170.9 | 0 | 0 | 0 | 125 | ||||
| 434 | T | 24.8 | Very low | 28.3 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | trans | 34.3 | 131.2 | 135.4 | 77.3 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 435 | T | 26.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | 75.7 | 139.5 | 129.3 | 51.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 436 | D | 28.2 | Very low | 27.8 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 78.4 | 88.8 | 147.9 | -63.3 | 3.3 | 0 | 0 | 0 | 122.9 | ||||
| 437 | S | 31.6 | Very low | 28 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | 74.8 | 107.8 | 113.7 | -60.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 438 | L | 31.1 | Very low | 27.9 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | 58.6 | 135.8 | 123.4 | -61.5 | 173.1 | 0 | 0 | 0 | 120.8 | |||||
| 439 | D | 28 | Very low | 28.2 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | cis | -171 | 161.9 | -17.1 | -149.3 | -7.9 | 0 | 0 | 0 | 110.8 | ||||
| 440 | L | 28 | Very low | 28.2 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 61.2 | 161.9 | 159 | -58 | 163.7 | 0 | 0 | 0 | 116.9 | ||||
| 441 | V | 27.7 | Very low | 28.1 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | cis | -150.7 | 119.3 | -10.9 | 109.4 | 0 | 0 | 0 | 0 | 106.8 | V443 | V441-V443 HydrophobicContact CG1-CG2 4.44Š| ||
| 442 | S | 25.3 | Very low | 27.6 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | 85.4 | -162.4 | 84.7 | -165 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 443 | V | 27.7 | Very low | 27.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 58% | 0.582 | 71% | 0.711 | S | S | * | * | trans | 85.2 | 81.6 | 172.1 | -169.3 | 0 | 0 | 0 | 0 | 116.9 | V441 | V441-V443 HydrophobicContact CG1-CG2 4.44Š| ||
| 444 | K | 26.9 | Very low | 27.5 | Very low | 189 Ų | 189 | 122.4 Ų | 122.4 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | 79.3 | 154.1 | 118.3 | -72.8 | -174.6 | -163.5 | 167.5 | 0 | 119.6 | |||||
| 445 | S | 24.8 | Very low | 27.7 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | cis | -177.4 | 161 | -17.8 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 446 | S | 24.7 | Very low | 27.6 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | 70.5 | 134.5 | 145 | -153.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 447 | V | 31.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | -169.1 | 136.5 | 89.7 | 156 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 448 | N | 24.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | trans | -24.7 | 144.4 | 165.9 | -41.6 | -29.4 | 0 | 0 | 0 | 117.9 | ||||
| 449 | N | 31.3 | Very low | 27.3 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | -174.6 | 144.3 | 125.6 | -86.9 | -18.2 | 0 | 0 | 0 | 107.2 | |||||
| 450 | T | 29.1 | Very low | 27.5 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | cis | -158.1 | 133.2 | -9.6 | 7.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 451 | T | 24.3 | Very low | 27.4 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | 36.9 | 164.3 | 131.5 | 60.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 452 | D | 29 | Very low | 27.6 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 72.4 | 116.5 | 172.1 | -48.7 | -27.1 | 0 | 0 | 0 | 114.6 | ||||
| 453 | S | 30 | Very low | 27.7 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | cis | -137.8 | 144.5 | 8.2 | -66.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 454 | I | 23.5 | Very low | 27.5 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | cis | 63.4 | 77.1 | 30.7 | -45.2 | -178.4 | 0 | 0 | 0 | 113.7 | ||||
| 455 | M | 29.2 | Very low | 27.3 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | -166.2 | 130.6 | 125.5 | -90 | -69.8 | -130.8 | 0 | 0 | 105.6 | I457 | M455-I457 HydrophobicContact CE-CD1 4.38Š| |||
| 456 | N | 23.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 117.5 Ų | 117.5 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | 62.9 | 152.9 | 56.1 | -81.8 | -22.8 | 0 | 0 | 0 | 114.7 | |||||
| 457 | I | 30.8 | Very low | 27.7 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | trans | 72 | 91.1 | -173.6 | -47 | 171.6 | 0 | 0 | 0 | 109.9 | M455 | M455-I457 HydrophobicContact CE-CD1 4.38Š| ||
| 458 | A | 24.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | cis | 67.3 | 165.8 | 42.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 459 | S | 29.3 | Very low | 27.7 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 75 | 102.9 | -167.3 | -23 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 460 | S | 31.5 | Very low | 27.8 | Very low | 85 Ų | 85 | 121 Ų | 121 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | 91.9 | 116.9 | 81.3 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 461 | S | 27.2 | Very low | 27.9 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | cis | 71 | 26.2 | 42.9 | 95.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 462 | T | 31.4 | Very low | 28.1 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | trans | -149.4 | 124.5 | 154.5 | 45.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 463 | G | 26.9 | Very low | 28.1 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | cis | 105.5 | 136.8 | 8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 464 | L | 24.6 | Very low | 28.1 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | 65.8 | 147.5 | -179 | -58.6 | 141.7 | 0 | 0 | 0 | 113.7 | ||||
| 465 | S | 22.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | cis | -174.4 | -159.3 | -14.6 | 50.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 466 | T | 28 | Very low | 28.6 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | trans | 61.8 | 123.9 | 160.5 | 46.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 467 | D | 28.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | -154.8 | 168.3 | 15.3 | -91.4 | -42.1 | 0 | 0 | 0 | 110.5 | ||||
| 468 | T | 28.5 | Very low | 28.9 | Very low | 97 Ų | 97 | 126 Ų | 126 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | cis | -175.3 | 170.6 | -29.8 | -92.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 469 | Y | 28.2 | Very low | 29.2 | Very low | 211 Ų | 211 | 129.8 Ų | 129.8 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 75.4 | 130.2 | -172.7 | -61.9 | -93.6 | 0 | 0 | 0 | 114.3 | ||||
| 470 | T | 32.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -164 | 157.9 | -12.5 | 8.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 471 | S | 31.8 | Very low | 28.9 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | cis | -155.9 | 158.1 | -2.7 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 472 | M | 27.6 | Very low | 28.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 86% | 0.862 | 74% | 0.74 | S | S | * | * | trans | -0.9 | 129.2 | 136.6 | -44.9 | 167.4 | -168.9 | 0 | 0 | 114.4 | ||||
| 473 | V | 30.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | -165.1 | 144.7 | 58.8 | 153.3 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 474 | N | 28.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -151.4 | 165.9 | -0.3 | -114.9 | 23.5 | 0 | 0 | 0 | 107 | ||||
| 475 | L | 27.9 | Very low | 28.8 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | cis | 80.1 | 142.6 | 27.4 | -59.9 | 169.2 | 0 | 0 | 0 | 116.3 | ||||
| 476 | P | 36.5 | Very low | 29.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -141.4 | -162.1 | -44.9 | 40.1 | -22.2 | 0 | 0 | 0 | 112.2 | ||||
| 477 | F | 33.6 | Very low | 29.4 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -103.5 | 149.8 | 168.4 | -89.2 | -95.8 | 0 | 0 | 0 | 113 | ||||
| 478 | N | 27.1 | Very low | 29.6 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | 67.8 | 119.8 | 164.2 | -67.6 | -5.9 | 0 | 0 | 0 | 120.7 | ||||
| 479 | D | 30.8 | Very low | 29.4 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | -145.4 | 163.4 | 141.3 | -142 | -18.2 | 0 | 0 | 0 | 107.2 | ||||
| 480 | S | 28.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -151.7 | 152.8 | -172.8 | -147.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 481 | L | 25 | Very low | 29.3 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 46% | 0.461 | 73% | 0.725 | S | S | . | * | trans | 59.6 | 82.2 | 172.6 | -62.8 | 165.8 | 0 | 0 | 0 | 114.4 | ||||
| 482 | V | 26.3 | Very low | 28.8 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | S | Bend | -136.2 | 132.3 | 69.3 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | |||
| 483 | C | 26.7 | Very low | 28.6 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 69% | 0.689 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -161 | 174.6 | -9.6 | -115.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 484 | Q | 26.6 | Very low | 28.2 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -135.7 | 145.2 | 6.1 | 177.5 | 177.6 | -6.1 | 0 | 0 | 108.4 | ||
| 485 | S | 28.9 | Very low | 27.9 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | trans | 70.6 | 126.2 | -171.9 | -10.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 486 | H | 30.6 | Very low | 28 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 61% | 0.611 | 72% | 0.723 | S | S | * | * | 64.7 | 134.3 | 50 | -52.1 | -55.9 | 0 | 0 | 0 | 112.3 | |||||
| 487 | S | 33 | Very low | 27.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | cis | -139.8 | 137.7 | 14.7 | 34.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 488 | H | 31.3 | Very low | 27.2 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | 57.9 | 143 | 80.7 | -80.8 | -110.5 | 0 | 0 | 0 | 115 | |||||
| 489 | L | 25 | Very low | 27.3 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | cis | -173.4 | 172.3 | -25.2 | -133.4 | 72.2 | 0 | 0 | 0 | 105.4 | ||||
| 490 | P | 34 | Very low | 27.2 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -104.7 | -163.1 | -176.6 | 42.5 | -34.1 | 0 | 0 | 0 | 112.9 | ||||
| 491 | T | 23.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | 66.8 | 153.1 | 157.6 | 54.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 492 | S | 22.9 | Very low | 27.4 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | 71.8 | 157.8 | 165.8 | 93.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 493 | N | 22.3 | Very low | 27.4 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | cis | -157.4 | 167.6 | -16.2 | -129 | -13.9 | 0 | 0 | 0 | 110.4 | ||||
| 494 | M | 22.7 | Very low | 27.6 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | 43.4 | 132.5 | 145.1 | -64.4 | 176.5 | 66.9 | 0 | 0 | 121.9 | ||||
| 495 | S | 23.1 | Very low | 27.7 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | 76.7 | 164.2 | 133.6 | 74.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 496 | S | 30.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 55 | 109.2 | -172.9 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 497 | S | 23 | Very low | 27.7 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | cis | 71.2 | 101.2 | 26.6 | 97.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 498 | G | 29.9 | Very low | 27.3 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | 139.6 | 120 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 499 | F | 28.4 | Very low | 26.9 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | cis | -154.7 | 141.1 | 2.2 | -125.5 | -96.8 | 0 | 0 | 0 | 109.9 | ||||
| 500 | I | 29.6 | Very low | 26.9 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | 53.6 | 100.9 | 151.6 | -77.6 | -177.6 | 0 | 0 | 0 | 116.3 | ||||
| 501 | D | 27.6 | Very low | 26.5 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | 104.9 | 164.8 | 89.7 | -83.6 | -6.2 | 0 | 0 | 0 | 110.3 | |||||
| 502 | L | 28.5 | Very low | 26.5 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | cis | -157.2 | 130.6 | -11.9 | -112.5 | 161.3 | 0 | 0 | 0 | 106.9 | ||||
| 503 | T | 28.3 | Very low | 26.6 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | trans | 62.3 | 176.4 | 150 | 63.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 504 | Q | 29.5 | Very low | 26.7 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 67% | 0.673 | 71% | 0.713 | S | S | * | * | cis | -153.3 | 160.9 | -27.8 | -119.2 | 174 | 65.6 | 0 | 0 | 111.6 | ||||
| 505 | K | 28.2 | Very low | 27 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 70% | 0.7 | 72% | 0.715 | S | S | * | * | trans | 29.2 | 133.3 | 130.6 | -97.2 | 167 | 165.8 | -178.7 | 0 | 119.1 | ||||
| 506 | I | 24.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | cis | 59.7 | 121.7 | 44.9 | -46.2 | 164.1 | 0 | 0 | 0 | 113.5 | ||||
| 507 | P | 36.5 | Very low | 27.4 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | cis | -136.8 | -158.5 | -29.8 | 38.3 | -16.7 | 0 | 0 | 0 | 111.9 | ||||
| 508 | S | 23.5 | Very low | 27.9 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | 61.8 | 120.8 | 143.8 | 66.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 509 | T | 24.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | 75.3 | 154.4 | 132.9 | 53.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 510 | T | 24 | Very low | 28 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | 79.4 | 102.5 | 153.6 | 36.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 511 | T | 25 | Very low | 28 | Very low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | 77.5 | 116.8 | 124.5 | 54.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 512 | T | 24.4 | Very low | 28 | Very low | 116 Ų | 116 | 119 Ų | 119 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | 81.5 | 120.6 | 126.1 | 57.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 513 | T | 24.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | trans | 79.3 | 106.5 | 130 | 55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 514 | T | 24.2 | Very low | 27.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | 79.3 | 161 | 126.4 | 62.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 515 | T | 28.8 | Very low | 27.8 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | trans | 73.6 | 129.5 | 178.9 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 516 | T | 32.4 | Very low | 27.8 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | cis | -162 | 143 | -5.8 | 8.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 517 | N | 30.4 | Very low | 27.9 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 66.6 | 149.7 | 142.5 | -61 | -6.3 | 0 | 0 | 0 | 118.5 | ||||
| 518 | T | 32.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | cis | -158 | 133.8 | 6.4 | -0.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 519 | T | 31 | Very low | 27.7 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | 57.4 | 121.4 | 138.3 | 56.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 520 | T | 29.3 | Very low | 27.8 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | 64.6 | 150.5 | 129.3 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 521 | A | 29.3 | Very low | 28.2 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 65% | 0.653 | 73% | 0.729 | S | S | * | * | cis | -174.1 | 166 | -19.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 522 | S | 27.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 42.4 | 136.6 | 148.9 | 58.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 523 | T | 27.9 | Very low | 28.7 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | cis | -173.6 | 159 | 7.2 | 13.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 524 | L | 25.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 54.8 | 104.6 | 152.7 | -66.2 | 167.4 | 0 | 0 | 0 | 120.6 | ||||
| 525 | K | 29.3 | Very low | 29.2 | Very low | 206 Ų | 206 | 119.7 Ų | 119.7 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | -175.4 | 159.4 | 129.2 | -110.7 | 167.3 | -177.3 | 172.2 | 0 | 116.5 | |||||
| 526 | S | 28.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 56.4 | 106.3 | 153.4 | 55 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 527 | M | 25.7 | Very low | 29.2 | Very low | 173 Ų | 173 | 122.5 Ų | 122.5 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | 25.8 | 120.3 | 123.2 | -69.1 | -176.1 | 72.1 | 0 | 0 | 120.3 | |||||
| 528 | S | 28.1 | Very low | 29.2 | Very low | 83 Ų | 83 | 120 Ų | 120 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | 43.3 | 130.6 | 129.1 | 71.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 529 | L | 27.8 | Very low | 29.1 | Very low | 164 Ų | 164 | 120.6 Ų | 120.6 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | 64.4 | 144.6 | 149 | -61.5 | 164.8 | 0 | 0 | 0 | 117.1 | ||||
| 530 | S | 26.9 | Very low | 29.2 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | cis | -175.1 | -176 | -21.9 | 50.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 531 | S | 31.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 29 | 109.5 | 143.9 | 62.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 532 | S | 28.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -139.3 | 113.3 | 151.5 | -71.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 533 | S | 32.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | 86.2 | 131.5 | 34.8 | 86.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 534 | A | 28.1 | Very low | 29.6 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -133 | 131.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||
| 535 | S | 31.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | S | Bend | cis | -162.6 | 154.1 | 11.2 | -82.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 536 | L | 30.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -163.9 | 140.6 | -10.3 | -91.8 | 162.2 | 0 | 0 | 0 | 109 | ||||
| 537 | L | 31.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 122 Ų | 122 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 56.6 | 153 | 151.5 | -81 | 78.2 | 0 | 0 | 0 | 122.5 | ||||
| 538 | S | 29.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 118 Ų | 118 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | cis | -178.9 | 138.6 | -26.8 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 539 | C | 30.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 54.4 | 154.4 | 144.7 | -61.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 540 | S | 33.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | cis | 178.3 | 167.8 | -12 | -86.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 541 | T | 35 | Very low | 29.8 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 87% | 0.871 | 74% | 0.736 | S | S | * | * | cis | -169.1 | 176.9 | -3.5 | 20.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 542 | G | 31 | Very low | 29.3 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 160.6 | -166.1 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 543 | M | 28.4 | Very low | 29 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | trans | 88.7 | 121.5 | 173.1 | -52.6 | -139.9 | 75.3 | 0 | 0 | 121.1 | ||||
| 544 | R | 27 | Very low | 28.6 | Very low | 223 Ų | 223 | 125.1 Ų | 125.1 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | 31.8 | 146.5 | 142.8 | -61.3 | -178.8 | 176.6 | -157.3 | -3.6 | 121.6 | ||||
| 545 | S | 27.2 | Very low | 28.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -175 | -165.4 | -14.2 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 546 | S | 29.8 | Very low | 28.2 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | cis | -172.2 | 162.4 | 2.2 | 19.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 547 | N | 27.9 | Very low | 28.4 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | 8.9 | 162.6 | 148.2 | -73.2 | 52.8 | 0 | 0 | 0 | 123.6 | ||||
| 548 | P | 38.7 | Very low | 28.4 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 58% | 0.584 | 69% | 0.69 | S | S | * | * | cis | -149.6 | -170.7 | -31.9 | 44.6 | -25.9 | 0 | 0 | 0 | 116.2 | ||||
| 549 | D | 24.5 | Very low | 28.3 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | 63.4 | 152.4 | 150.4 | -54.2 | -26.6 | 0 | 0 | 0 | 120.7 | ||||
| 550 | F | 23.7 | Very low | 28.1 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | cis | -160 | 145 | -5.4 | -136.4 | -125.9 | 0 | 0 | 0 | 111.6 | ||||
| 551 | V | 24.2 | Very low | 27.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 61% | 0.606 | 70% | 0.7 | S | S | * | * | trans | 57.3 | 136 | 141.2 | 172.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 552 | D | 22.2 | Very low | 27.2 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | 54.7 | 161.4 | 155.1 | -65.2 | -6.3 | 0 | 0 | 0 | 123.7 | ||||
| 553 | L | 23.1 | Very low | 26.9 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | cis | -160 | 166.4 | -26.8 | -109.9 | 169.5 | 0 | 0 | 0 | 109.8 | ||||
| 554 | S | 22.3 | Very low | 26.7 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | 56.4 | 171.9 | 165.6 | 91.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 555 | N | 25.3 | Very low | 26.6 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 49% | 0.492 | 68% | 0.678 | S | S | . | * | cis | -146.8 | -167.1 | -29.7 | -127.1 | -10.4 | 0 | 0 | 0 | 110.5 | D1079 | N555-D1079 PolarHBondContact ND2-OD2 3.14Š| ||
| 556 | S | 27.4 | Very low | 26.4 | Very low | 50 Ų | 50 | 127.7 Ų | 127.7 | 35% | 0.35 | 67% | 0.666 | S | S | . | * | trans | 88.7 | 130.7 | 165.8 | 94.1 | 0 | 0 | 0 | 0 | 121.3 | D1721 | S556-D1721 PolarHBondContact OG-OD2 3.44Š| ||
| 557 | D | 35.2 | Very low | 26.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 67% | 0.67 | S | S | * | * | trans | -142.7 | 133.6 | -179.2 | 158.2 | 3.1 | 0 | 0 | 0 | 108.7 | K559 | D557-K559 PolarHBondContact OD1-N 2.95Å; D557-K559 VanDerWaalsContact OD1-N 3.09Å | ||
| 558 | P | 30.2 | Very low | 26.3 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | trans | -142.8 | 108.3 | 148.1 | 31.9 | -12.6 | 0 | 0 | 0 | 118.3 | ||||
| 559 | K | 27.5 | Very low | 25.7 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | 71.1 | 123.2 | 118.3 | -62.4 | 152 | -166.9 | 148.3 | 0 | 121 | D557 | D557-K559 PolarHBondContact OD1-N 2.95Å; D557-K559 VanDerWaalsContact OD1-N 3.09Å | |||
| 560 | R | 25.4 | Very low | 25.8 | Very low | 230 Ų | 230 | 131.6 Ų | 131.6 | 87% | 0.868 | 68% | 0.68 | S | S | * | * | trans | 74 | 136.7 | 148.4 | -63.7 | 175.7 | 176.1 | -164.2 | 0.5 | 116.8 | ||||
| 561 | L | 24 | Very low | 25.9 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | cis | -155.8 | -164.3 | 5.7 | -110.7 | 166 | 0 | 0 | 0 | 107.6 | ||||
| 562 | R | 27 | Very low | 26.1 | Very low | 221 Ų | 221 | 130.4 Ų | 130.4 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | cis | -142.5 | -100.2 | 18.3 | -157.9 | 173.7 | -177 | 149.2 | 0.4 | 115.1 | ||||
| 563 | L | 24.2 | Very low | 26.6 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 62% | 0.618 | 68% | 0.68 | S | S | * | * | trans | -161.2 | 158.2 | -164.1 | -95.3 | 169.4 | 0 | 0 | 0 | 112.8 | ||||
| 564 | C | 22.9 | Very low | 27 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | trans | 72.3 | 149.5 | 161 | -64.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 565 | F | 25.2 | Very low | 27.3 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | cis | -152.5 | 143.8 | -3.6 | -121.7 | -48.6 | 0 | 0 | 0 | 112 | V1672 | F565-V1672 HydrophobicContact CE1-CG1 3.92Š| ||
| 566 | T | 24.5 | Very low | 27.5 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | trans | 29.8 | 129.6 | 152.9 | 43.6 | 0 | 0 | 0 | 0 | 123.7 | V1672 | T566-V1672 HydrophobicContact CG2-CG2 4.23Š| ||
| 567 | D | 25.4 | Very low | 27.6 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | 66.5 | 126.7 | 131.5 | -53.1 | -10.8 | 0 | 0 | 0 | 122.6 | ||||
| 568 | I | 30.3 | Very low | 27.5 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 82% | 0.821 | 70% | 0.699 | S | S | * | * | -157.3 | 141.6 | 119.4 | -99.8 | 153.5 | 0 | 0 | 0 | 109 | |||||
| 569 | N | 25.6 | Very low | 27.5 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | trans | -85.3 | 143.6 | 179.4 | -99.4 | -38.8 | 0 | 0 | 0 | 113.1 | ||||
| 570 | S | 26.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | 56.3 | 127.1 | 148.3 | 65.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 571 | T | 26.5 | Very low | 27.8 | Very low | 133 Ų | 133 | 122 Ų | 122 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | -177 | 178.6 | 129.2 | 26.2 | 0 | 0 | 0 | 0 | 106 | |||||
| 572 | I | 28.3 | Very low | 28 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | cis | -148.2 | 148.8 | 16.3 | -19.3 | 172.7 | 0 | 0 | 0 | 106.2 | ||||
| 573 | F | 31.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 66% | 0.658 | 68% | 0.68 | S | S | * | * | 165.4 | 151.2 | 88.5 | -101.3 | -56.6 | 0 | 0 | 0 | 109.2 | |||||
| 574 | A | 31.4 | Very low | 28.2 | Very low | 45 Ų | 45 | 115.5 Ų | 115.5 | 37% | 0.372 | 69% | 0.686 | S | S | . | * | cis | -152.8 | 154.1 | 7.8 | 0 | 0 | 0 | 0 | 0 | 114 | F1851 | A574-F1851 VanDerWaalsContact O-CZ 3.28Å; A574-F1851 WeakPolarHBondContact O-CZ 3.39Å | ||
| 575 | T | 28.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | trans | 27.9 | 140.8 | 141.7 | 58.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 576 | A | 29.1 | Very low | 28.7 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | cis | -120.1 | -151.8 | 12.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 577 | A | 30.6 | Very low | 29.1 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | cis | -157.3 | 176.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 578 | N | 32.4 | Very low | 29.2 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | cis | -155.7 | -170.7 | -7 | -152 | -6.2 | 0 | 0 | 0 | 111 | ||||
| 579 | S | 29.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 56% | 0.559 | 71% | 0.706 | S | S | * | * | trans | -43.7 | 150 | 157.3 | 55 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 580 | T | 30.6 | Very low | 29 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | cis | -177.9 | 158.5 | 8.5 | 20.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 581 | T | 29.8 | Very low | 29 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | cis | -175 | 169.4 | -21.2 | 24.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 582 | T | 28.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | 65 | 140.3 | 147.7 | 49 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 583 | T | 28.5 | Very low | 28.6 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | cis | -171.6 | 139.6 | -8.2 | 17.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 584 | T | 26.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | 59.7 | 158.2 | 149.2 | 58.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 585 | I | 29.2 | Very low | 28.1 | Very low | 144 Ų | 144 | 117 Ų | 117 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | cis | -152.4 | 114.1 | 36.4 | -69.5 | 173.5 | 0 | 0 | 0 | 107.3 | ||||
| 586 | T | 28.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | 54.9 | 151.2 | 90.8 | 57.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 587 | P | 34.2 | Very low | 28 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | cis | -147.4 | -169.5 | -27.1 | 41.3 | -21 | 0 | 0 | 0 | 116.6 | ||||
| 588 | T | 26.5 | Very low | 27.9 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | 67 | 145.8 | 155.5 | 51.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 589 | T | 28.3 | Very low | 27.9 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | cis | -155.9 | 172.4 | -1.8 | 3.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 590 | A | 24.5 | Very low | 27.8 | Very low | 83 Ų | 83 | 118.6 Ų | 118.6 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 175 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 591 | H | 25.5 | Very low | 27.6 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | cis | -157.1 | 147.3 | 35.8 | -111.7 | -94.8 | 0 | 0 | 0 | 113.2 | ||||
| 592 | V | 23.8 | Very low | 27.4 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | 46.2 | 133.9 | 123.5 | 177 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 593 | D | 23.2 | Very low | 27.3 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | cis | -163 | 172.2 | 48.4 | -139.2 | -27 | 0 | 0 | 0 | 117.4 | ||||
| 594 | I | 26.4 | Very low | 27.3 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | trans | 78.9 | 165.6 | 158.5 | -75.4 | 168.5 | 0 | 0 | 0 | 121.1 | ||||
| 595 | S | 26 | Very low | 27.4 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 48% | 0.476 | 70% | 0.695 | S | S | . | * | trans | -160.8 | -169.6 | -161.9 | 67.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 596 | V | 29.5 | Very low | 27.2 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 39% | 0.394 | 69% | 0.693 | S | S | . | * | trans | 84.5 | 126.2 | 166.7 | 165.8 | 0 | 0 | 0 | 0 | 120.6 | L1806 S1807 | V596-L1806 VanDerWaalsContact C-CD1 3.42Å; V596-L1806 WeakPolarHBondContact O-CD1 3.45Å; V596-L1806 WeakPolarHBondContact O-CG 3.4Å; V596-S1807 WeakPolarHBondContact O-CA 3.48Å; V596-S1807 PolarHBondContact O-N 2.68Å | ||
| 597 | C | 26.6 | Very low | 27 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | cis | -172 | -176.1 | -10.3 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 598 | N | 29 | Very low | 26.7 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | trans | 74.5 | 147.3 | 164.5 | -86.5 | 44 | 0 | 0 | 0 | 119.9 | ||||
| 599 | E | 30.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | cis | -161.6 | 148.5 | -12.9 | -145.8 | -176 | -176.7 | 0 | 0 | 113.3 | ||||
| 600 | T | 28.6 | Very low | 26.6 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 70% | 0.702 | S | S | * | * | trans | 61.8 | 158.3 | 168.7 | 74.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 601 | R | 26 | Very low | 26.6 | Very low | 207 Ų | 207 | 137.1 Ų | 137.1 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | cis | -147.1 | 146 | 4.3 | -148.9 | -177.1 | -179.4 | 168.7 | 5.4 | 110.9 | ||||
| 602 | Q | 26.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | trans | 11.7 | 142.1 | 145 | -59.9 | 174.9 | -29.1 | 0 | 0 | 119.4 | ||||
| 603 | L | 26 | Very low | 26.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 69% | 0.686 | 72% | 0.719 | S | S | * | * | cis | -160.8 | 155.1 | 13.4 | -148.8 | 77.5 | 0 | 0 | 0 | 110.7 | ||||
| 604 | N | 28.2 | Very low | 26.7 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | 38.7 | 128.5 | 145.2 | -69.1 | 11.1 | 0 | 0 | 0 | 120.5 | ||||
| 605 | N | 28.9 | Very low | 26.7 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -152.9 | 153.6 | 18.2 | -89.6 | -31 | 0 | 0 | 0 | 111.8 | ||
| 606 | Y | 24.2 | Very low | 26.6 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 60.1 | 89.2 | 172.3 | -83.4 | -102 | 0 | 0 | 0 | 118.1 | S1881 | Y606-S1881 WeakPolarHBondContact CE1-OXT 3.46Š|
| 607 | Q | 24.8 | Very low | 26.3 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | 48.4 | 109.6 | 148.1 | -58.8 | -166.7 | -5.1 | 0 | 0 | 121.4 | ||||
| 608 | Q | 26.6 | Very low | 26.3 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 36.1 | 118.6 | 144.5 | -66.7 | -176.4 | -26.9 | 0 | 0 | 120.4 | ||||
| 609 | F | 25.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | -170.5 | 159.6 | 106 | -115.3 | -81.6 | 0 | 0 | 0 | 113.2 | |||||
| 610 | S | 27.8 | Very low | 25.9 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 29.9 | 123.3 | 162.5 | -67 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 611 | S | 23.7 | Very low | 25.7 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 139 | 158.7 | -43.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 612 | Y | 28.2 | Very low | 25.8 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 94% | 0.941 | 74% | 0.744 | S | S | * | * | trans | -155.2 | 139.6 | 141.7 | -116.5 | -77.1 | 0 | 0 | 0 | 110.5 | ||||
| 613 | M | 22.7 | Very low | 25.9 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -88.2 | 145 | -175.7 | -85 | -76 | -122.4 | 0 | 0 | 113.1 | ||||
| 614 | L | 23.8 | Very low | 25.9 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 58% | 0.581 | 75% | 0.747 | S | S | * | * | trans | 47.1 | 116.3 | 143.7 | -58.3 | 168.8 | 0 | 0 | 0 | 119.2 | ||||
| 615 | N | 27.9 | Very low | 25.5 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | -145.6 | 135.4 | 100.3 | -85.8 | -54.4 | 0 | 0 | 0 | 109.2 | |||||
| 616 | H | 24.1 | Very low | 25.4 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 62% | 0.616 | 76% | 0.76 | S | S | * | * | cis | 97.8 | 123 | 33.9 | -109.3 | -68.8 | 0 | 0 | 0 | 115.3 | ||||
| 617 | S | 22.8 | Very low | 25.3 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | trans | 66.5 | 159.2 | 159.5 | -47 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 618 | Y | 26.4 | Very low | 25.4 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | cis | -140 | -178.3 | 15 | -86.8 | -85.4 | 0 | 0 | 0 | 109.2 | ||||
| 619 | D | 27.8 | Very low | 25.3 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | cis | -145 | 146.5 | 1.1 | -111.7 | -46.3 | 0 | 0 | 0 | 105.3 | ||||
| 620 | Q | 23.8 | Very low | 25.4 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | cis | 62.7 | 98 | 46.2 | -83.7 | -151.5 | 27.3 | 0 | 0 | 117.3 | ||||
| 621 | C | 24.8 | Very low | 25.3 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | trans | -172.4 | 144.6 | 142.2 | -96 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 622 | S | 27.4 | Very low | 25.4 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -162.6 | 176.6 | -17.6 | 57.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 623 | H | 28.8 | Very low | 25.2 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | cis | -166 | 161.1 | 21.8 | -131.8 | -52.1 | 0 | 0 | 0 | 110.3 | ||||
| 624 | Y | 25.2 | Very low | 25.3 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 74.3 | 151.3 | 153.7 | -90.9 | -75.3 | 0 | 0 | 0 | 122.9 | ||||
| 625 | Q | 21.3 | Very low | 25.3 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -86.9 | 157.7 | 172.7 | -52.1 | 148.5 | -66.8 | 0 | 0 | 110.5 | ||||
| 626 | V | 25.1 | Very low | 25.1 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | -178.1 | 150.2 | 125 | 145.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 627 | S | 23.1 | Very low | 25.3 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | trans | -49.8 | 172.5 | -169.6 | 63.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 628 | N | 27.2 | Very low | 25.4 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | 91 | 112.4 | 139.8 | -73.3 | -13.7 | 0 | 0 | 0 | 121.5 | ||||
| 629 | N | 24.4 | Very low | 25.6 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 28.5 | 126 | 102.3 | -57.4 | -2.5 | 0 | 0 | 0 | 116.1 | |||||
| 630 | N | 28 | Very low | 25.6 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | -177.2 | 168.8 | 61.7 | -115.4 | -23.9 | 0 | 0 | 0 | 112.9 | |||||
| 631 | N | 25.4 | Very low | 25.9 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -76.3 | 162.7 | 167.8 | -82 | -41.1 | 0 | 0 | 0 | 113.8 | ||||
| 632 | N | 25.3 | Very low | 25.8 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | 72.2 | 94.4 | 156.8 | -67 | -17.1 | 0 | 0 | 0 | 120.6 | ||||
| 633 | S | 25 | Very low | 25.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | 99.3 | 147.6 | 114.8 | 80.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 634 | R | 23.1 | Very low | 26.1 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | 85.4 | 146 | 157.6 | -131.7 | 174.7 | -166.8 | 171.3 | 4 | 117.8 | ||||
| 635 | I | 25.3 | Very low | 26.1 | Very low | 146 Ų | 146 | 141 Ų | 141 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | 83.3 | 92.8 | 165.6 | -50.7 | 168 | 0 | 0 | 0 | 117.3 | ||||
| 636 | H | 22.5 | Very low | 26.3 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | 17.8 | 159.1 | 119.1 | -73.3 | -79.7 | 0 | 0 | 0 | 121.5 | |||||
| 637 | P | 28 | Very low | 26.2 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | cis | -147.5 | 112.9 | -46.7 | 37.9 | -16.7 | 0 | 0 | 0 | 114.3 | ||||
| 638 | Y | 26.4 | Very low | 26.5 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 89% | 0.886 | 76% | 0.756 | S | S | * | * | trans | -145.5 | 141.4 | 169.4 | -86.9 | -100.5 | 0 | 0 | 0 | 109.1 | ||||
| 639 | V | 30.5 | Very low | 26.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -165.4 | 142.7 | -12.3 | 110.8 | 0 | 0 | 0 | 0 | 105.6 | ||
| 640 | K | 28 | Very low | 26.8 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | cis | -160.1 | 140.3 | -7.2 | -140.4 | -178.9 | -174.7 | -178.2 | 0 | 110.6 | ||||
| 641 | T | 28.3 | Very low | 26.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 38.7 | 107.3 | 146 | 54.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 642 | S | 23.1 | Very low | 26.9 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 8.2 | 132 | 120.3 | 58.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 643 | S | 24.7 | Very low | 27 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | 34.9 | 152.9 | 124.5 | -44.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 644 | P | 38.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -134.6 | -162.5 | -31 | 36.9 | -16.5 | 0 | 0 | 0 | 112.9 | ||||
| 645 | L | 24.5 | Very low | 27.8 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 95.3 | 120.1 | 168.8 | -58.9 | 168.8 | 0 | 0 | 0 | 119.6 | ||||
| 646 | I | 26.1 | Very low | 27.8 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 14.6 | 137.2 | 133 | -6.2 | 176.6 | 0 | 0 | 0 | 116.9 | ||||
| 647 | S | 24.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -176.7 | 148.8 | 46.3 | -35 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 648 | I | 27.9 | Very low | 28.7 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | 64.1 | -179.2 | 151.9 | -2.2 | -176.5 | 0 | 0 | 0 | 119.2 | ||||
| 649 | P | 33.9 | Very low | 29 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | -137.2 | -164.8 | -113.3 | 48.2 | -28.9 | 0 | 0 | 0 | 118.3 | |||||
| 650 | S | 25.5 | Very low | 28.9 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | 91.7 | 121.4 | 141.6 | -80.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 651 | L | 23.7 | Very low | 29 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 61.2 | 146.6 | 157.5 | -72.1 | 81.9 | 0 | 0 | 0 | 115.9 | ||||
| 652 | T | 30.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | cis | -151.4 | 152.9 | 33.5 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 653 | T | 27.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 120 Ų | 120 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 39.2 | 120.5 | 144.6 | 60.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 654 | G | 31.5 | Very low | 29.2 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -175.3 | 64.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 655 | V | 32.9 | Very low | 28.4 | Very low | 149 Ų | 149 | 129 Ų | 129 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | 48 | 96.3 | 150.1 | -170.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 656 | S | 24.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -82.8 | -173.6 | 144.3 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 657 | P | 38.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | cis | -111 | -153.1 | -9.8 | 26.4 | -1.2 | 0 | 0 | 0 | 109.8 | ||||
| 658 | T | 31.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -141.9 | 175.2 | 15.3 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 659 | S | 33.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -121.8 | 133.3 | 1.8 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 660 | S | 27.4 | Very low | 29 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -87 | -175.5 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 661 | A | 30.7 | Very low | 28.8 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -155.6 | -175.1 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 662 | S | 29.2 | Very low | 29 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | cis | -165 | 165.4 | 11.2 | 36.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 663 | V | 25.9 | Very low | 28.9 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -178.2 | 168.1 | -40.3 | 130.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 664 | W | 23.9 | Very low | 29 | Very low | 219 Ų | 219 | 126 Ų | 126 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -98.3 | 160.7 | -174.4 | -83.1 | 0.9 | 0 | 0 | 0 | 116.8 | ||||
| 665 | Y | 22.1 | Very low | 28.8 | Very low | 198 Ų | 198 | 126.4 Ų | 126.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 71.3 | 171.3 | 140.2 | -87.1 | -46.4 | 0 | 0 | 0 | 122.2 | ||||
| 666 | P | 46.3 | Very low | 28.4 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -135.2 | -169.3 | -138.7 | 46.2 | -26.9 | 0 | 0 | 0 | 118.1 | ||||
| 667 | S | 29.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 106.1 | 123.9 | 150.5 | -65.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 668 | C | 24.1 | Very low | 27.8 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 81.9 | 139.7 | 150.3 | -67 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 669 | H | 25.8 | Very low | 27.5 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | 75.8 | 137.7 | 165.8 | -102.7 | -81.8 | 0 | 0 | 0 | 120.9 | ||||
| 670 | G | 23.9 | Very low | 27 | Very low | 60 Ų | 60 | 129.2 Ų | 129.2 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | trans | 80.6 | 97.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 671 | I | 22.1 | Very low | 27 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | 51.3 | 107.7 | 54.6 | -36.3 | 170 | 0 | 0 | 0 | 108.6 | |||||
| 672 | V | 26.1 | Very low | 26.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | -149.8 | 147.8 | 66.5 | 162.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 673 | N | 30.2 | Very low | 26.4 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | 66.4 | 137.8 | 170.3 | -69.1 | -8.1 | 0 | 0 | 0 | 118.2 | ||||
| 674 | S | 29.3 | Very low | 26.3 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -161.7 | 163.5 | -17.4 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 675 | S | 28.3 | Very low | 26.4 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | trans | 46.8 | 112.6 | 134.7 | 71.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 676 | E | 23.8 | Very low | 26.6 | Very low | 178 Ų | 178 | 122.4 Ų | 122.4 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | 124.5 | 169.5 | 67.8 | -96.6 | -151.3 | 120.9 | 0 | 0 | 108 | |||||
| 677 | P | 28.7 | Very low | 25.7 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | -141.7 | -156.4 | -89.6 | 33 | -5.7 | 0 | 0 | 0 | 112.1 | |||||
| 678 | S | 21.8 | Very low | 25.5 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | trans | 59.3 | 154.3 | 131.8 | 73.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 679 | F | 25.1 | Very low | 25.4 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 76% | 0.763 | 71% | 0.712 | S | S | * | * | trans | 66.5 | 127.5 | -179.7 | -56.4 | -83.2 | 0 | 0 | 0 | 113.8 | ||||
| 680 | L | 22.5 | Very low | 25.7 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | cis | 64.9 | 146 | 46.8 | -62.6 | 157.5 | 0 | 0 | 0 | 112.5 | ||||
| 681 | P | 28.2 | Very low | 25.9 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | cis | -116 | -178.6 | 5.6 | 39 | -26.2 | 0 | 0 | 0 | 114 | ||||
| 682 | T | 25.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 126 Ų | 126 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | trans | 53 | 101.9 | 154.8 | 47.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 683 | S | 22.2 | Very low | 26.5 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | 80.1 | 146.7 | 65.9 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 684 | S | 24.3 | Very low | 26.2 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 64.4 | 151.7 | 176 | 21.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 685 | E | 25.2 | Very low | 25.9 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | cis | -157.2 | -145.7 | -9.8 | -119.9 | 166.3 | 165.5 | 0 | 0 | 110.1 | ||||
| 686 | L | 27.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 131 Ų | 131 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -61.8 | 173 | -176.2 | -67.9 | 63 | 0 | 0 | 0 | 115.6 | ||||
| 687 | H | 25.9 | Very low | 25.8 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 72.2 | 151.2 | 165.1 | -66.2 | -78.9 | 0 | 0 | 0 | 116.4 | ||||
| 688 | D | 25.3 | Very low | 25.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | cis | -157.3 | 152.5 | -7.5 | -119.5 | -17.4 | 0 | 0 | 0 | 112.2 | ||||
| 689 | S | 22.7 | Very low | 25.8 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 62 | 168.5 | 155 | -77.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 690 | P | 31 | Very low | 25.9 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -119.6 | 142.6 | 2.8 | 38.2 | -24.2 | 0 | 0 | 0 | 115.5 | ||||
| 691 | V | 29.7 | Very low | 26.2 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -140.4 | 129.8 | 167.7 | 176.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 692 | M | 30.8 | Very low | 26.2 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 8.7 | 111.1 | 157.5 | -59.4 | -71.3 | -80.5 | 0 | 0 | 119.4 | ||||
| 693 | N | 28.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 18.5 | 115 | 141.8 | -59.8 | -6.2 | 0 | 0 | 0 | 120 | ||||
| 694 | E | 23.5 | Very low | 26.7 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | -155.4 | 155.6 | 123.8 | -136.3 | -179.2 | -141.4 | 0 | 0 | 112.9 | |||||
| 695 | C | 23.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 72% | 0.716 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 148.3 | 164.4 | -71.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 696 | S | 25 | Very low | 26.8 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 75.6 | 116.5 | 154.2 | -61.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 697 | S | 24.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 56.4 | 109.2 | 136.1 | -55.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 698 | Y | 26.2 | Very low | 27.2 | Very low | 226 Ų | 226 | 137.8 Ų | 137.8 | 89% | 0.886 | 74% | 0.738 | S | S | * | * | -153.6 | 117.8 | 118.3 | -118 | -77.3 | 0 | 0 | 0 | 112 | Q700 | Y698-Q700 WeakPolarHBondContact CD1-O 3.2Š| |||
| 699 | L | 25.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -89.6 | 120.6 | 158.9 | -118.6 | 174.3 | 0 | 0 | 0 | 106.1 | ||||
| 700 | Q | 27.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 66.8 | 149.7 | 158.8 | -71 | 176.6 | -17.7 | 0 | 0 | 116 | Y698 | Y698-Q700 WeakPolarHBondContact CD1-O 3.2Š| ||
| 701 | I | 29.2 | Very low | 27.3 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | cis | -162.3 | 146.2 | -9.8 | -126.3 | 165.6 | 0 | 0 | 0 | 108.2 | ||||
| 702 | M | 27.5 | Very low | 27.2 | Very low | 160 Ų | 160 | 142 Ų | 142 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | trans | 60.5 | 159.1 | 156.8 | -72.5 | 169.7 | -167 | 0 | 0 | 118.8 | ||||
| 703 | D | 27.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -167.2 | -175.8 | -34.9 | -136.6 | -47.3 | 0 | 0 | 0 | 108.3 | ||||
| 704 | A | 30.8 | Very low | 26.9 | Very low | 61 Ų | 61 | 137.8 Ų | 137.8 | 50% | 0.504 | 73% | 0.728 | S | S | . | * | trans | 69.6 | 164.2 | 143 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y706 | A704-Y706 WeakPolarHBondContact CB-O 3.43Š| ||
| 705 | N | 27.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | S | Bend | cis | 32.4 | 90.2 | -12.7 | -78.1 | -2.3 | 0 | 0 | 0 | 118.3 | ||
| 706 | Y | 23.5 | Very low | 27.1 | Very low | 221 Ų | 221 | 137 Ų | 137 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | cis | -84.2 | 111.5 | -0 | -77 | -102 | 0 | 0 | 0 | 112.9 | A704 | A704-Y706 WeakPolarHBondContact CB-O 3.43Š| ||
| 707 | H | 29.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 58% | 0.583 | 72% | 0.724 | S | S | * | * | 63.1 | 121.4 | 57.9 | -153.5 | -76.3 | 0 | 0 | 0 | 113.8 | |||||
| 708 | T | 32.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | trans | 64 | 98.4 | 163.9 | 37.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 709 | L | 27.1 | Very low | 27.2 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | 49.2 | 121.2 | 119.3 | -83.2 | 81.1 | 0 | 0 | 0 | 121.6 | |||||
| 710 | I | 24.1 | Very low | 27.2 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | 42.6 | 95.4 | 121.4 | -49.2 | 173.5 | 0 | 0 | 0 | 116.6 | |||||
| 711 | K | 28.5 | Very low | 27.4 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -158.9 | 109.1 | 130.8 | -109.6 | 169.2 | -175.7 | 176.5 | 0 | 112.2 | ||||
| 712 | S | 27.8 | Very low | 27.3 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | 23.5 | 120.7 | 128.4 | 61.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 713 | T | 23.6 | Very low | 27.5 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | 1.9 | 134 | 136.9 | 56.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 714 | P | 30.5 | Very low | 27.7 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | -96.7 | 155.5 | 78.7 | -19 | 35.5 | 0 | 0 | 0 | 112.3 | |||||
| 715 | Q | 23.8 | Very low | 27.5 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | 56.9 | 140 | 59.3 | -48.1 | 176.4 | -19 | 0 | 0 | 111.9 | |||||
| 716 | S | 27.2 | Very low | 27.7 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | cis | -157.4 | 156.8 | 31 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 717 | T | 28.4 | Very low | 28 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | 46.8 | 126.8 | 145.6 | 56.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 718 | S | 22.8 | Very low | 27.7 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | 52.8 | 148.8 | 63.3 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 719 | V | 25.4 | Very low | 27.4 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | cis | -149.6 | 176.3 | 27.2 | -157.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 720 | Y | 27.4 | Very low | 27.3 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | 77.5 | 140.6 | 159.2 | -59.3 | -50.3 | 0 | 0 | 0 | 117 | ||||
| 721 | L | 30.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | cis | -148.8 | 141.6 | 1.8 | -115.6 | 160.6 | 0 | 0 | 0 | 111.9 | ||||
| 722 | N | 25.7 | Very low | 27.3 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | -76.3 | -178.3 | 153 | -139.1 | 10.1 | 0 | 0 | 0 | 108.1 | ||||
| 723 | P | 32.6 | Very low | 27.1 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | cis | -125.3 | -165.3 | -0.3 | 24.8 | 3.4 | 0 | 0 | 0 | 111.1 | ||||
| 724 | N | 32.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | cis | -147 | 156.5 | 23 | -47.3 | -94 | 0 | 0 | 0 | 108.9 | ||||
| 725 | L | 26.1 | Very low | 27.7 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | cis | 63.4 | 150.5 | 39.1 | -94.6 | 77.7 | 0 | 0 | 0 | 115.1 | ||||
| 726 | P | 32.8 | Very low | 27.8 | Very low | 93 Ų | 93 | 121 Ų | 121 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | cis | -139.1 | -168.2 | -21.7 | 39 | -19.8 | 0 | 0 | 0 | 113.6 | ||||
| 727 | T | 28.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 63.4 | 158.3 | 153.2 | 48.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 728 | S | 24.7 | Very low | 27.6 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | cis | -170.9 | 163.9 | -34.2 | 57 | 0 | 0 | 0 | 0 | 111 | ||||
| 729 | S | 24.5 | Very low | 27.7 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | trans | 60.8 | 120.8 | 142.6 | 61.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 730 | S | 26.6 | Very low | 27.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 80.7 | 139.2 | 122.9 | 66.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 731 | S | 26.9 | Very low | 27.7 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | 60.4 | 115.1 | 145 | 52.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 732 | V | 25 | Very low | 27.4 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | 90.2 | 127.2 | 59.8 | 165.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 733 | M | 24.3 | Very low | 27.7 | Very low | 172 Ų | 172 | 123 Ų | 123 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | trans | 80.6 | 135.8 | 166.3 | -80.3 | -68.8 | 147.4 | 0 | 0 | 121.3 | ||||
| 734 | H | 35.1 | Very low | 27.5 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -60.4 | 164 | 170 | -83.7 | -130.7 | 0 | 0 | 0 | 112.6 | S736 | H734-S736 PolarHBondContact ND1-OG 2.97Å; H734-S736 VanDerWaalsContact ND1-OG 3.11Å | ||
| 735 | P | 31.1 | Very low | 27.6 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | -130.1 | 150.1 | 95.1 | 37.7 | -31.3 | 0 | 0 | 0 | 113.8 | |||||
| 736 | S | 25.8 | Very low | 27.5 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | trans | -95.6 | 169.1 | 178 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | H734 | H734-S736 PolarHBondContact ND1-OG 2.97Å; H734-S736 VanDerWaalsContact ND1-OG 3.11Å | ||
| 737 | N | 25.9 | Very low | 27.4 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 91.4 | 126.1 | 136.1 | -82.2 | -7.1 | 0 | 0 | 0 | 124.6 | ||||
| 738 | I | 25 | Very low | 27.5 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 88.5 | 155.1 | 132.5 | -65.7 | 165.7 | 0 | 0 | 0 | 119.4 | ||||
| 739 | V | 26.1 | Very low | 27.8 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | 78.5 | 84.8 | -178.3 | -162.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 740 | L | 23.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 126 Ų | 126 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | 59.4 | 121.5 | 70.2 | -56.5 | 162.2 | 0 | 0 | 0 | 114 | |||||
| 741 | Q | 28 | Very low | 28.2 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | 176.4 | 134 | 95.9 | -96.4 | -164.3 | -10.7 | 0 | 0 | 112.2 | |||||
| 742 | N | 25.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 61.9 | 147.7 | 140.7 | -48.9 | -11.8 | 0 | 0 | 0 | 116.8 | ||||
| 743 | V | 31.5 | Very low | 28.2 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | -150.2 | 140.7 | 44.2 | 157.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 744 | E | 28.6 | Very low | 28.2 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | 32.1 | 134.6 | 151.3 | -62.4 | 151.7 | -150.9 | 0 | 0 | 119.8 | ||||
| 745 | S | 33.6 | Very low | 27.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | cis | -162.4 | 147.5 | 30.5 | 25.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 746 | S | 24.4 | Very low | 27.8 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -72.2 | 167.8 | 164.2 | -36.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 747 | P | 31.1 | Very low | 27.8 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | -148.4 | 165 | 74.6 | 39.5 | -22.1 | 0 | 0 | 0 | 116.8 | |||||
| 748 | S | 30.2 | Very low | 28 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | 62.7 | 143 | 143.1 | 60.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 749 | H | 32.3 | Very low | 28.1 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | cis | -169.7 | 166.1 | -12.4 | -113.5 | -59.7 | 0 | 0 | 0 | 108.7 | ||||
| 750 | G | 31.2 | Very low | 28.3 | Very low | 56 Ų | 56 | 131.9 Ų | 131.9 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | trans | 93.2 | 103.2 | 152 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 751 | D | 27.7 | Very low | 28.6 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 62.8 | 92.5 | 60.7 | -48.2 | -46 | 0 | 0 | 0 | 110.2 | |||||
| 752 | S | 26.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 87.7 | 137.6 | 69 | 71.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 753 | S | 25.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 69.1 | 153.6 | 166.4 | 79.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 754 | C | 24.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 128 Ų | 128 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -82.4 | 126.4 | -176.6 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 755 | N | 28.6 | Very low | 29.4 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -160.9 | 172.1 | 136.2 | -121.4 | -67.5 | 0 | 0 | 0 | 117.2 | ||||
| 756 | R | 28.6 | Very low | 29.1 | Very low | 209 Ų | 209 | 123.7 Ų | 123.7 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | -73.1 | 143.6 | -162.3 | -67.3 | 160.9 | 170.1 | 165.9 | -3.2 | 116.7 | ||||
| 757 | N | 26.2 | Very low | 29.2 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | 53.6 | 102.6 | 130.9 | -55.9 | -12.2 | 0 | 0 | 0 | 121.8 | ||||
| 758 | T | 30.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | -147.8 | 118.7 | 124.6 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 759 | S | 27.2 | Very low | 28.7 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | 111.8 | 146.4 | 51.7 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 760 | I | 29.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | 69.9 | 85.6 | -176.7 | -45.3 | 177.8 | 0 | 0 | 0 | 113.5 | ||||
| 761 | V | 30.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 126 Ų | 126 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 76 | 133 | 67.9 | 176.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 762 | P | 34.1 | Very low | 28 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -127.7 | 125.8 | 11.8 | 26.3 | -3.5 | 0 | 0 | 0 | 118.1 | ||||
| 763 | T | 32.3 | Very low | 28 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | 25.1 | 160.9 | 113 | 54.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 764 | P | 35.2 | Very low | 28.3 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -148.5 | 164.7 | -26.5 | 38.7 | -19.7 | 0 | 0 | 0 | 118.2 | ||||
| 765 | G | 29.4 | Very low | 28.4 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 71.3 | 166.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 766 | S | 26.5 | Very low | 28.3 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | cis | -164 | 152.2 | -10 | -166.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 767 | A | 26.4 | Very low | 28.3 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | trans | 58.2 | 113.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 768 | T | 24.9 | Very low | 28.6 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | 70 | 152.1 | 128.3 | 63.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 769 | V | 25.1 | Very low | 29 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | 81.4 | 112.2 | 165 | -169.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 770 | N | 24.6 | Very low | 29.6 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | 10.3 | 139.2 | 151.6 | -74.4 | -13.5 | 0 | 0 | 0 | 122.3 | ||||
| 771 | T | 26.7 | Very low | 29.9 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 66.2 | 121.7 | 154.8 | 60.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 772 | T | 25.3 | Very low | 29.9 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | 174.3 | 138.6 | 97.7 | 32.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 773 | S | 26.3 | Very low | 29.6 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | 65 | 179.3 | 136.1 | -61.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 774 | P | 31.7 | Very low | 29.4 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | cis | -113.4 | 165.2 | -9.1 | 42.4 | -30.2 | 0 | 0 | 0 | 113 | ||||
| 775 | V | 26.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | cis | 77.6 | 156.5 | 26.4 | -168.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 776 | I | 27.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | trans | 85.8 | 106.7 | 174.4 | -51 | -176.4 | 0 | 0 | 0 | 113.1 | N778 | I776-N778 WeakPolarHBondContact CG2-ND2 3.24Š| ||
| 777 | N | 28.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | cis | 93.8 | 176.1 | 40.2 | -66.3 | -6.6 | 0 | 0 | 0 | 113.2 | ||||
| 778 | N | 33.2 | Very low | 29.6 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 60% | 0.599 | 69% | 0.689 | S | S | * | * | trans | 86.7 | 152.9 | 163.7 | -31.9 | -38.5 | 0 | 0 | 0 | 114.3 | I776 | I776-N778 WeakPolarHBondContact CG2-ND2 3.24Š| ||
| 779 | N | 38.8 | Very low | 29.7 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | cis | -127.1 | 159.2 | 4 | -48.4 | -97.6 | 0 | 0 | 0 | 107.7 | ||||
| 780 | S | 38.4 | Very low | 30 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | S | Bend | -132.6 | 136.7 | 64.5 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | |||
| 781 | D | 37.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 116.9 Ų | 116.9 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | trans | 56.9 | 76.4 | 150.1 | -47.6 | -28.6 | 0 | 0 | 0 | 115.2 | ||||
| 782 | S | 29.6 | Very low | 30.8 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | cis | 64.1 | 36.7 | 18.2 | 96.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 783 | A | 28.4 | Very low | 31.2 | Very low | 73 Ų | 73 | 117.2 Ų | 117.2 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | trans | -142.1 | 126.3 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 784 | S | 27.5 | Very low | 31.3 | Very low | 65 Ų | 65 | 116.8 Ų | 116.8 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | cis | -154.6 | 170.5 | 5.8 | -43 | 0 | 0 | 0 | 0 | 111.7 | L786 S787 | S784-L786 PolarHBondContact O-N 3.46Å; S784-S787 WeakPolarHBondContact CB-OG 3.42Å; S784-S787 PolarHBondContact O-N 3.37Å; S784-S787 PolarHBondContact OG-OG 2.92Å | ||
| 785 | Q | 31.5 | Very low | 31.4 | Very low | 188 Ų | 188 | 119.5 Ų | 119.5 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | 120.2 | 143.3 | -55.5 | 161 | 10.8 | 0 | 0 | 107.7 | S787 | Q785-S787 VanDerWaalsContact C-N 3.32Å; Q785-S787 PolarHBondContact O-N 3.32Å |
| 786 | L | 32.4 | Very low | 31.5 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 88% | 0.88 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 35.8 | -172.9 | 135.1 | 167.8 | 0 | 0 | 0 | 113.8 | S784 | S784-L786 PolarHBondContact O-N 3.46Š|
| 787 | S | 33.3 | Very low | 31.6 | Very low | 53 Ų | 53 | 120.2 Ų | 120.2 | 37% | 0.371 | 68% | 0.675 | S | S | . | * | trans | -135.6 | 112.4 | 149.1 | -41.3 | 0 | 0 | 0 | 0 | 109.6 | S784 Q785 | S784-S787 WeakPolarHBondContact CB-OG 3.42Å; S784-S787 PolarHBondContact O-N 3.37Å; S784-S787 PolarHBondContact OG-OG 2.92Å; Q785-S787 VanDerWaalsContact C-N 3.32Å; Q785-S787 PolarHBondContact O-N 3.32Å | ||
| 788 | L | 23.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | cis | 57.5 | 116.4 | 11.5 | -103.7 | -164 | 0 | 0 | 0 | 115.9 | ||||
| 789 | H | 28.4 | Very low | 31.3 | Very low | 159 Ų | 159 | 118.4 Ų | 118.4 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | trans | 60.3 | 177.9 | 174 | -48.5 | -55.6 | 0 | 0 | 0 | 111.8 | ||||
| 790 | T | 29.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 121 Ų | 121 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | cis | -134.6 | 141.4 | 9.3 | 29.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 791 | D | 32.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | S | Bend | cis | -152 | 175.7 | 22.3 | -82.8 | -45.9 | 0 | 0 | 0 | 110.4 | L793 | D791-L793 WeakPolarHBondContact OD1-CD1 3.03Š|
| 792 | N | 35.6 | Very low | 29.4 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | cis | -126 | 132.7 | 7.2 | -96.9 | -76.4 | 0 | 0 | 0 | 108.4 | ||||
| 793 | L | 33.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 62% | 0.618 | 69% | 0.688 | S | S | * | * | 67.5 | 140.5 | 86.8 | -90.6 | 76.1 | 0 | 0 | 0 | 114.2 | D791 | D791-L793 WeakPolarHBondContact OD1-CD1 3.03Š| |||
| 794 | S | 30.1 | Very low | 29.3 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | cis | -165 | 132.8 | 4.4 | 44.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 795 | Q | 32.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | 66.3 | 155.3 | 128.6 | -59.7 | 170.3 | 18.3 | 0 | 0 | 120.4 | |||||
| 796 | S | 27.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | cis | -169.1 | -151.6 | -23.9 | -83.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 797 | I | 31 | Very low | 29.3 | Very low | 141 Ų | 141 | 127 Ų | 127 | 72% | 0.723 | 68% | 0.684 | S | S | * | * | cis | -163.2 | 157.4 | 2.8 | -152.4 | 176.9 | 0 | 0 | 0 | 110.6 | ||||
| 798 | T | 29.3 | Very low | 29.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 62 | 156.7 | 163.7 | 54.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 799 | S | 25 | Very low | 29.4 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | cis | -177.5 | 163.1 | -25.4 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 800 | F | 24.4 | Very low | 29.3 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | trans | 75.5 | 121.1 | 152.7 | -82.8 | -70.7 | 0 | 0 | 0 | 123.7 | ||||
| 801 | C | 23.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | trans | 67.8 | 136.1 | 130.5 | -89.8 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 802 | H | 27.2 | Very low | 28.8 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | 68.4 | 125.3 | 139.2 | -99.5 | -91.3 | 0 | 0 | 0 | 124.7 | ||||
| 803 | H | 29.5 | Very low | 28.3 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | trans | 60.3 | 166.6 | 137.5 | -81.8 | 18.9 | 0 | 0 | 0 | 119.7 | ||||
| 804 | S | 26.6 | Very low | 27.9 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | cis | -168 | 149 | -25.1 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 805 | Q | 30.7 | Very low | 27.6 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 58.2 | 127.1 | 152.2 | -78.4 | 164.3 | -27.6 | 0 | 0 | 123.9 | ||||
| 806 | Q | 30.3 | Very low | 27.8 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 63.5 | 155 | 130.7 | -61.5 | 179.1 | 0.1 | 0 | 0 | 119.5 | ||||
| 807 | N | 30 | Very low | 28 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -157.8 | 166.5 | 10.4 | -138.8 | -21.7 | 0 | 0 | 0 | 114.4 | ||||
| 808 | S | 29.2 | Very low | 27.9 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 48.5 | 101.5 | 149.9 | 63.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 809 | K | 30.2 | Very low | 27.8 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | 50.3 | 98.9 | 112.8 | -166.2 | 179.3 | -172.8 | 176 | 0 | 120.4 | |||||
| 810 | L | 26.3 | Very low | 28 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | trans | -160.2 | 179.7 | 142.9 | -117.1 | 170.4 | 0 | 0 | 0 | 112.2 | ||||
| 811 | H | 26.7 | Very low | 28.1 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -93.7 | 154.5 | -166.3 | -140.6 | -112.8 | 0 | 0 | 0 | 113.7 | ||||
| 812 | L | 25.6 | Very low | 28.4 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | 67.5 | 118.1 | 165.6 | -72.9 | 151 | 0 | 0 | 0 | 119.8 | ||||
| 813 | V | 25.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 60.3 | 114.8 | 129.5 | 172.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 814 | Y | 24.6 | Very low | 28.8 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 57.2 | 134.8 | 153.7 | -83.9 | -119 | 0 | 0 | 0 | 117.7 | ||||
| 815 | N | 24.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | -164.1 | 167.7 | 91.1 | -108.1 | -60.7 | 0 | 0 | 0 | 116.9 | |||||
| 816 | Q | 36.4 | Very low | 28.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 160.6 | 169.5 | -54.4 | 166.2 | -36.6 | 0 | 0 | 112.2 | ||||
| 817 | P | 31.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -114.2 | 155.6 | 134 | 34.4 | -26.5 | 0 | 0 | 0 | 109.7 | ||||
| 818 | H | 28.2 | Very low | 28.3 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | cis | -164.8 | 154.3 | -15.7 | -88.2 | -45.8 | 0 | 0 | 0 | 103.2 | ||||
| 819 | S | 27.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -162.7 | -175.1 | -6.9 | 55.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 820 | N | 29 | Very low | 28.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -170.7 | 165.9 | 20.9 | -139.7 | -20.8 | 0 | 0 | 0 | 109.8 | ||||
| 821 | F | 27.8 | Very low | 28.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | 57.2 | 123.2 | 158.9 | -69.1 | -64.6 | 0 | 0 | 0 | 123.5 | ||||
| 822 | C | 28 | Very low | 28.9 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 111.5 | 131.9 | -67.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 823 | S | 29.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -53.2 | 156.2 | 133.5 | -15.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 824 | P | 35 | Very low | 29.5 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | -149.6 | -143.5 | 63 | 41.7 | -20.1 | 0 | 0 | 0 | 113.2 | |||||
| 825 | V | 29 | Very low | 29.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 78.1 | 110.1 | 178.6 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 826 | V | 23.7 | Very low | 30 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | cis | 98.5 | 127.5 | 33.6 | 173.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 827 | C | 24.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | 68.8 | 136.9 | 171 | -73.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 828 | S | 31.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | -146.1 | 159.5 | 0.4 | -45 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 829 | L | 25.7 | Very low | 29.3 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | cis | 60.6 | 138.2 | 37.9 | -64.5 | 166.1 | 0 | 0 | 0 | 112.4 | E831 | L829-E831 HydrophobicContact CD2-CG 4.03Š| ||
| 830 | P | 39.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -102.3 | 156.3 | 39.1 | 3.2 | 20.2 | 0 | 0 | 0 | 113.3 | ||||
| 831 | E | 30 | Very low | 29.4 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | cis | 76.9 | 143 | 48.9 | -61.4 | 169 | -175.8 | 0 | 0 | 113.9 | L829 | L829-E831 HydrophobicContact CD2-CG 4.03Š| ||
| 832 | S | 29.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -155.1 | 158 | -10.6 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 833 | S | 30.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 167.7 | 164.8 | 71 | 54.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 834 | S | 32.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | -139.4 | 136.6 | 6 | -57.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 835 | L | 30.5 | Very low | 28.8 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | 59.5 | 138.9 | 69.4 | -61.3 | 173.2 | 0 | 0 | 0 | 114.3 | |||||
| 836 | N | 29.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -170 | 168.6 | -26.9 | -139.7 | -5.3 | 0 | 0 | 0 | 109.4 | ||||
| 837 | L | 26 | Very low | 28.8 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -133.5 | 86.8 | 155 | -143.9 | 77.2 | 0 | 0 | 0 | 108.2 | ||||
| 838 | C | 28.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | 82.6 | 169.8 | 103.8 | -153.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 839 | G | 29.1 | Very low | 28.5 | Very low | 65 Ų | 65 | 122.2 Ų | 122.2 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | trans | -166.7 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 840 | N | 29.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 118.3 Ų | 118.3 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | 68.6 | 130.1 | 171.9 | -78.4 | -10.7 | 0 | 0 | 0 | 120.3 | ||||
| 841 | M | 28.3 | Very low | 28 | Very low | 166 Ų | 166 | 119.8 Ų | 119.8 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | 85.1 | 124.1 | 156.9 | -63.3 | -156.2 | 73.1 | 0 | 0 | 121.6 | ||||
| 842 | L | 28.2 | Very low | 28.2 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 71% | 0.707 | 70% | 0.699 | S | S | * | * | trans | 84.1 | 101 | 151.2 | -67 | 165 | 0 | 0 | 0 | 121.2 | ||||
| 843 | N | 27 | Very low | 28 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 93.6 | 125.4 | 121.8 | -82.2 | 8.2 | 0 | 0 | 0 | 123.4 | |||||
| 844 | T | 27.7 | Very low | 27.8 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | trans | 73.1 | 91.4 | 134.5 | 55.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 845 | T | 25.1 | Very low | 27.5 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | 56.4 | 130.9 | 114 | 56.5 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 846 | T | 26.5 | Very low | 27.3 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 69.8 | 153.9 | 144.1 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 847 | K | 26.6 | Very low | 27.7 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | cis | -153.3 | 131.3 | -5 | -128 | 172.3 | -179.3 | -179.7 | 0 | 112.3 | ||||
| 848 | S | 24.2 | Very low | 27.9 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 46% | 0.462 | 70% | 0.702 | S | S | . | * | trans | 38.8 | 130.5 | 138.1 | 61.5 | 0 | 0 | 0 | 0 | 122 | L1738 C1739 | S848-L1738 CarbonylContact O-C 3.17Å; S848-C1739 WeakPolarHBondContact O-CA 3.4Å; S848-C1739 PolarHBondContact O-N 3.02Å | ||
| 849 | T | 26 | Very low | 27.9 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | trans | 159.8 | -123.6 | 138.6 | 72.7 | 0 | 0 | 0 | 0 | 122.1 | S1737 L1738 C1739 | T849-S1737 VanDerWaalsContact CB-C 3.4Å; T849-S1737 WeakPolarHBondContact CB-O 3.07Å; T849-S1737 PolarHBondContact OG1-OG 2.9Å; T849-L1738 VanDerWaalsContact CB-N 3.3Å; T849-L1738 WeakPolarHBondContact OG1-CA 3.46Å; T849-L1738 PolarHBondContact OG1-N 3.37Å; T849-C1739 WeakPolarHBondContact CA-SG 2.84Å; T849-C1739 PolarHBondContact N-SG 3.41Å; T849-C1739 VanDerWaalsContact N-SG 3.44Å | ||
| 850 | S | 25.9 | Very low | 27.8 | Very low | 49 Ų | 49 | 122.1 Ų | 122.1 | 34% | 0.343 | 70% | 0.695 | S | S | . | * | -116.6 | 159.7 | -120.7 | 58.6 | 0 | 0 | 0 | 0 | 123.1 | S1737 C1739 | S850-S1737 VanDerWaalsContact CA-O 3.26Å; S850-S1737 WeakPolarHBondContact CA-O 3.06Å; S850-S1737 WeakPolarHBondContact CB-O 3.26Å; S850-C1739 PolarHBondContact N-SG 2.75Å | |||
| 851 | N | 28.8 | Very low | 27.7 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | trans | -38.6 | 161.1 | 139.3 | -85.9 | 17.3 | 0 | 0 | 0 | 114.5 | ||||
| 852 | P | 32.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | cis | -136.9 | -166.9 | 36.5 | 44.3 | -26.6 | 0 | 0 | 0 | 116.3 | ||||
| 853 | S | 26.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | trans | -74.5 | 158.4 | -179.2 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 854 | N | 26.2 | Very low | 27.9 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | 74.7 | 124.2 | 156.1 | -67.8 | -1 | 0 | 0 | 0 | 120.7 | ||||
| 855 | S | 25.9 | Very low | 27.7 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | 75.3 | 135.4 | 136.9 | 64.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 856 | C | 25.7 | Very low | 28.4 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | 67.4 | 72.6 | 147.5 | -63.4 | 0 | 0 | 0 | 0 | 119.7 | P858 | C856-P858 WeakPolarHBondContact O-CD 3.47Š| ||
| 857 | L | 37.8 | Very low | 28.3 | Very low | 163 Ų | 163 | 116.1 Ų | 116.1 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | 7 | 112.4 | 126.5 | -67 | 166.7 | 0 | 0 | 0 | 117.9 | |||||
| 858 | P | 31.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -129.9 | 121.2 | 152.9 | 32.7 | -16.8 | 0 | 0 | 0 | 111.1 | C856 | C856-P858 WeakPolarHBondContact O-CD 3.47Š|
| 859 | F | 28.1 | Very low | 29.1 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | cis | -126.1 | 159.5 | -4.6 | -81.1 | -104.2 | 0 | 0 | 0 | 108 | F861 | F859-F861 HydrophobicContact CB-CD2 4.35Å; F859-F861 AromaticContact CD1-CD2 3.95Å; F859-F861 HydrophobicContact CD1-CD2 3.95Å; F859-F861 AromaticContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CE1-CE2 4.08Å | ||
| 860 | N | 25.8 | Very low | 29 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | 59.7 | 153.8 | 50.6 | -86 | -48.9 | 0 | 0 | 0 | 113.7 | |||||
| 861 | F | 28.1 | Very low | 29 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 64% | 0.64 | 70% | 0.696 | S | S | * | * | trans | 63.6 | 96.5 | -167.8 | -51.2 | -73.9 | 0 | 0 | 0 | 112.3 | F859 | F859-F861 HydrophobicContact CB-CD2 4.35Å; F859-F861 AromaticContact CD1-CD2 3.95Å; F859-F861 HydrophobicContact CD1-CD2 3.95Å; F859-F861 AromaticContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CE1-CE2 4.08Å | ||
| 862 | D | 31.8 | Very low | 28.9 | Very low | 112 Ų | 112 | 127 Ų | 127 | 60% | 0.599 | 70% | 0.699 | S | S | * | * | cis | -123.8 | 124.3 | 11.6 | -87.6 | -6.8 | 0 | 0 | 0 | 109.6 | N865 | D862-N865 PolarHBondContact OD1-ND2 2.66Å; D862-N865 PolarHBondContact OD2-ND2 3.15Å | ||
| 863 | K | 25.1 | Very low | 29 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 59% | 0.591 | 70% | 0.697 | S | S | * | * | S | Bend | cis | 60.2 | 132.9 | 42.1 | -151.1 | -169.1 | -175.6 | -172.5 | 0 | 111.7 | N865 | K863-N865 PolarHBondContact O-N 3.29Š|
| 864 | N | 31.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -50.7 | 116.3 | 158.7 | -65.2 | -29.7 | 0 | 0 | 0 | 108.6 | S866 | N864-S866 VanDerWaalsContact C-OG 3.28Å; N864-S866 PolarHBondContact O-OG 3.46Å | ||
| 865 | N | 23.4 | Very low | 29.8 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 54% | 0.54 | 70% | 0.699 | S | S | . | * | trans | -129.3 | 89.3 | 159.4 | -88.6 | -24.4 | 0 | 0 | 0 | 103.8 | D862 K863 | D862-N865 PolarHBondContact OD1-ND2 2.66Å; D862-N865 PolarHBondContact OD2-ND2 3.15Å; K863-N865 PolarHBondContact O-N 3.29Å | ||
| 866 | S | 40.1 | Very low | 30.2 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | cis | 55 | 31.7 | 27.4 | 104.2 | 0 | 0 | 0 | 0 | 113.9 | N864 F868 | N864-S866 VanDerWaalsContact C-OG 3.28Å; N864-S866 PolarHBondContact O-OG 3.46Å; S866-F868 PolarHBondContact O-N 3.11Å | ||
| 867 | C | 22.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 68% | 0.676 | 69% | 0.688 | S | S | * | * | -45.8 | 119.8 | 119.6 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 868 | F | 30 | Very low | 30.1 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | cis | -152.7 | 171.9 | 6 | -106.8 | -67.8 | 0 | 0 | 0 | 109.2 | S866 | S866-F868 PolarHBondContact O-N 3.11Š| ||
| 869 | L | 38.8 | Very low | 30 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | 53.2 | 100.8 | 150.1 | -66.4 | 165.2 | 0 | 0 | 0 | 115.2 | ||||
| 870 | N | 23 | Very low | 30 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | 49.6 | 129.7 | 53.9 | -131.2 | 77.1 | 0 | 0 | 0 | 111.9 | |||||
| 871 | D | 26.1 | Very low | 30 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | trans | 72.6 | 90.7 | 164.1 | -56.7 | -45 | 0 | 0 | 0 | 119.8 | ||||
| 872 | N | 27.7 | Very low | 30.1 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | 92.5 | 121.6 | 121.1 | -59.8 | -38.4 | 0 | 0 | 0 | 121.9 | |||||
| 873 | G | 33.8 | Very low | 29.9 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | 104.3 | 128.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 874 | I | 36.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -152.5 | 141.8 | -0 | -62.4 | -179.2 | 0 | 0 | 0 | 104.7 | ||
| 875 | N | 33.7 | Very low | 29.8 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | cis | -138.4 | 157.7 | 15.8 | -123.5 | -3 | 0 | 0 | 0 | 107.5 | ||||
| 876 | N | 34.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | 48.7 | 127.6 | 74.1 | -56.7 | -35.2 | 0 | 0 | 0 | 115.2 | |||||
| 877 | H | 32.9 | Very low | 29.3 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | cis | -140.2 | 148.8 | -2.5 | -100.8 | -84 | 0 | 0 | 0 | 107.5 | Y879 | H877-Y879 AromaticContact ND1-CE2 3.94Š| ||
| 878 | L | 27.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | cis | 77.3 | 99 | 18.4 | -154.6 | -171.7 | 0 | 0 | 0 | 115.4 | ||||
| 879 | Y | 29.3 | Very low | 29.5 | Very low | 211 Ų | 211 | 132.9 Ų | 132.9 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -168.9 | 157.8 | 141.8 | -101.8 | -66.8 | 0 | 0 | 0 | 111.7 | H877 | H877-Y879 AromaticContact ND1-CE2 3.94Š| ||
| 880 | S | 28 | Very low | 28.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | -165.8 | 155.8 | -84 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 881 | L | 26.9 | Very low | 29.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -66.4 | 162 | 170.4 | -68.4 | 148 | 0 | 0 | 0 | 113.6 | ||||
| 882 | T | 28.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 173.2 | 156.3 | 141.3 | 34 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 883 | S | 27.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | cis | -164 | -179.5 | -20 | -93.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 884 | S | 27 | Very low | 29.3 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -131.6 | -179.9 | -159.3 | 54.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 885 | V | 27.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 72.8 | 112.7 | 163.1 | -135 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 886 | H | 25 | Very low | 28.9 | Very low | 160 Ų | 160 | 139 Ų | 139 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | -171.6 | 161.5 | 83.2 | -104.8 | 82.9 | 0 | 0 | 0 | 116.1 | |||||
| 887 | D | 27.4 | Very low | 28.7 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 78.7 | 130.5 | 146.8 | -74.6 | -25.2 | 0 | 0 | 0 | 125.4 | ||||
| 888 | N | 28.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | 81.9 | 113.4 | 143.3 | -71.3 | -38 | 0 | 0 | 0 | 124 | ||||
| 889 | H | 29.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | 101.7 | 125.4 | 118.1 | -91.2 | -12.6 | 0 | 0 | 0 | 123.5 | |||||
| 890 | Y | 26.4 | Very low | 28.3 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 66.2 | 148.9 | 155 | -77.8 | -104.7 | 0 | 0 | 0 | 118.1 | ||||
| 891 | H | 29.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 62% | 0.616 | 74% | 0.74 | S | S | * | * | cis | -169 | 152.4 | -18.7 | -146.1 | -129.5 | 0 | 0 | 0 | 111.7 | ||||
| 892 | Q | 31.5 | Very low | 28.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 58.8 | 145.8 | 163.9 | -72.3 | 156.2 | -51 | 0 | 0 | 119.4 | ||||
| 893 | N | 27.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | cis | 94.3 | 146.6 | 16.1 | -74 | -30.5 | 0 | 0 | 0 | 118.7 | ||||
| 894 | I | 28.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | trans | 107.5 | 139.2 | 153.4 | -79.6 | 155.7 | 0 | 0 | 0 | 119.2 | ||||
| 895 | P | 34.8 | Very low | 29 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -148 | -172.7 | -137.9 | 42.2 | -19.5 | 0 | 0 | 0 | 118.7 | ||||
| 896 | Q | 27.4 | Very low | 29.3 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 149.9 | 140 | -93.1 | -176.7 | 16 | 0 | 0 | 124 | ||||
| 897 | Q | 28.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | 112.5 | 131.6 | 128.2 | -98.3 | 175.2 | 58.1 | 0 | 0 | 123.1 | |||||
| 898 | I | 29.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 98.2 | 135.8 | 142.2 | -70.5 | 164.2 | 0 | 0 | 0 | 121.7 | ||||
| 899 | K | 26.5 | Very low | 29.6 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -84.9 | 144.5 | -172.3 | -68.8 | 172.5 | 166 | 179.1 | 0 | 115.8 | ||||
| 900 | A | 26 | Very low | 29.7 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 64.5 | 177.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 901 | P | 37.6 | Very low | 29.7 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -135.5 | -170.2 | -77.1 | 41.6 | -25.4 | 0 | 0 | 0 | 115 | |||||
| 902 | L | 22.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 96.1 | 153.7 | 163.6 | -65.1 | 154.6 | 0 | 0 | 0 | 120 | ||||
| 903 | I | 28.4 | Very low | 29.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | 85.9 | 90.3 | 165.1 | -43.7 | -173.4 | 0 | 0 | 0 | 119.1 | ||||
| 904 | V | 27.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | 45.7 | 134.9 | 120.6 | -176.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 905 | P | 37.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -96 | -176.4 | -167.1 | 43.3 | -40.8 | 0 | 0 | 0 | 114.6 | ||||
| 906 | P | 34.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | -150.9 | -172 | 91.2 | 36 | -14.7 | 0 | 0 | 0 | 116.1 | |||||
| 907 | L | 29.7 | Very low | 29.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 101 | 94.8 | 161.7 | -58.3 | 171.4 | 0 | 0 | 0 | 119.8 | ||||
| 908 | L | 26.1 | Very low | 29.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -64.5 | 173.1 | 142.3 | -91.6 | 95.8 | 0 | 0 | 0 | 110.9 | ||||
| 909 | P | 31.6 | Very low | 29.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -145.2 | 172.1 | 27.8 | 43.5 | -24.7 | 0 | 0 | 0 | 118.5 | ||||
| 910 | S | 31.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | 163.7 | 101.2 | 122 | 65.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 911 | L | 26.6 | Very low | 29.4 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -76 | 175.3 | 149.9 | -91.3 | 155.9 | 0 | 0 | 0 | 108.8 | ||||
| 912 | P | 31.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -153.5 | -178.6 | 35.8 | 41 | -17.5 | 0 | 0 | 0 | 119.7 | ||||
| 913 | S | 27.5 | Very low | 28.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | 47.6 | 138.7 | 141.3 | 62.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 914 | L | 29.6 | Very low | 28.5 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | cis | -156 | 133.2 | 49.8 | -92.7 | 93 | 0 | 0 | 0 | 107.6 | ||||
| 915 | S | 26.8 | Very low | 28.4 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | 78.1 | 105.2 | 57.7 | 79.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 916 | N | 30.7 | Very low | 28 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | 173.3 | 133.5 | 114.3 | -82.9 | -3.1 | 0 | 0 | 0 | 113.9 | |||||
| 917 | H | 26.7 | Very low | 27.5 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 160.1 | 163.2 | -87.7 | -72.9 | 0 | 0 | 0 | 110.7 | ||||
| 918 | P | 31.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | -151.4 | 166.7 | 74.4 | 42 | -22 | 0 | 0 | 0 | 118.5 | |||||
| 919 | Y | 23.5 | Very low | 27.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 47% | 0.471 | 73% | 0.728 | S | S | . | * | trans | -73.3 | 174.6 | 158.5 | -104.7 | -109.4 | 0 | 0 | 0 | 111.2 | S1059 I1060 | Y919-S1059 WeakPolarHBondContact CE2-O 3.34Å; Y919-S1059 PolarHBondContact OH-O 3.25Å; Y919-I1060 VanDerWaalsContact OH-CB 3.23Å; Y919-I1060 WeakPolarHBondContact OH-CB 3.32Å; Y919-I1060 WeakPolarHBondContact OH-CG2 3.49Å; Y919-I1060 PolarHBondContact OH-O 3.39Å | ||
| 920 | P | 31 | Very low | 27.1 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | -140.7 | 170.7 | 11.6 | 42.5 | -23.9 | 0 | 0 | 0 | 118.5 | ||||
| 921 | Q | 24.8 | Very low | 27 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | trans | 50 | 133 | 141.3 | -71.1 | -173.7 | 8.8 | 0 | 0 | 125.3 | ||||
| 922 | F | 23.2 | Very low | 27.2 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | trans | 95.7 | 107.8 | 141.4 | -79.8 | -53.6 | 0 | 0 | 0 | 123.7 | ||||
| 923 | T | 23.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | trans | 82.7 | 125.3 | 141.7 | 60.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 924 | N | 23.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | 78.7 | 164.1 | 144.3 | -65.6 | -20.7 | 0 | 0 | 0 | 120.3 | ||||
| 925 | E | 25.2 | Very low | 27.3 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | 70.4 | 147.3 | -178.8 | -64.6 | 178.9 | -164.2 | 0 | 0 | 115.2 | ||||
| 926 | H | 29.2 | Very low | 27.4 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 68% | 0.676 | 74% | 0.743 | S | S | * | * | cis | -144.5 | 127.9 | -3.9 | -136.4 | -59.2 | 0 | 0 | 0 | 111.4 | ||||
| 927 | L | 24.1 | Very low | 27.2 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -82 | 128.5 | 150.4 | 174.6 | 75.3 | 0 | 0 | 0 | 106.9 | ||||
| 928 | M | 26.7 | Very low | 27.1 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 59% | 0.586 | 75% | 0.745 | S | S | * | * | trans | 179.2 | 112.7 | 143.9 | -99.7 | -61.7 | 169.7 | 0 | 0 | 110.2 | T930 T931 | M928-T930 PolarHBondContact O-N 3.46Å; M928-T931 HydrophobicContact CE-CG2 4.36Å; M928-T931 HydrophobicContact SD-CG2 4.16Å | ||
| 929 | N | 24.1 | Very low | 27.1 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -70.1 | 121.4 | 145.2 | -98.3 | -30.9 | 0 | 0 | 0 | 106.5 | T931 | N929-T931 PolarHBondContact O-N 3.38Š|
| 930 | T | 26.8 | Very low | 27.3 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -37.1 | 121.2 | -172.9 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | M928 | M928-T930 PolarHBondContact O-N 3.46Š| ||
| 931 | T | 30.1 | Very low | 27.1 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 61% | 0.613 | 75% | 0.753 | S | S | * | * | trans | -79.2 | 123 | 163.8 | 37.9 | 0 | 0 | 0 | 0 | 110.2 | M928 N929 | M928-T931 HydrophobicContact CE-CG2 4.36Å; M928-T931 HydrophobicContact SD-CG2 4.16Å; N929-T931 PolarHBondContact O-N 3.38Å | ||
| 932 | T | 30.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 49.6 | 132.7 | 150.4 | 56.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 933 | S | 29.8 | Very low | 27.2 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -169.8 | 166.8 | -4.6 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 934 | H | 30.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 68 | 84 | 172.2 | -77.7 | -83.8 | 0 | 0 | 0 | 118.9 | ||||
| 935 | T | 29.8 | Very low | 27.5 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 72.3 | 128.1 | 138.3 | 45.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 936 | Q | 30.2 | Very low | 27.5 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | 81.3 | 165.2 | 170.2 | -61.3 | -172.2 | -28.1 | 0 | 0 | 117 | ||||
| 937 | M | 24.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -99.8 | 168.4 | -154.6 | -63.3 | 162 | 61.2 | 0 | 0 | 113.7 | ||||
| 938 | M | 25.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 104 | 127.8 | 157.6 | -66.3 | -171.3 | 166.4 | 0 | 0 | 119.8 | ||||
| 939 | V | 31.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 84.4 | 110.5 | 136 | 170.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 940 | N | 27.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 60.1 | 124 | 133.5 | -63.9 | 15 | 0 | 0 | 0 | 125.6 | ||||
| 941 | S | 25.8 | Very low | 27.2 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | 84.2 | 111.3 | 119.9 | -61.4 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 942 | T | 26 | Very low | 27.2 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | 64.8 | 129.2 | 125.3 | 62.4 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 943 | S | 25.7 | Very low | 27 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 97.7 | 117.5 | 125.4 | 67.5 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 944 | V | 26.1 | Very low | 26.9 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 78.9 | 102.1 | 124.1 | 179.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 945 | I | 26.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 52.1 | 107.4 | 131.1 | -51.2 | 176.1 | 0 | 0 | 0 | 121.5 | ||||
| 946 | V | 27.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -149.3 | 143.6 | 134.4 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 947 | G | 26 | Very low | 26.9 | Very low | 58 Ų | 58 | 129.5 Ų | 129.5 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | cis | 160.5 | 155.6 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 948 | S | 24.2 | Very low | 26.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 72.5 | 138 | 166.8 | -65.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 949 | T | 25.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | 64.8 | 118.7 | 153.7 | 50 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 950 | N | 23.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | 49.8 | 128.9 | 137.5 | -60.7 | -7.8 | 0 | 0 | 0 | 121.7 | ||||
| 951 | S | 23.8 | Very low | 27 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 125.8 | 131.6 | 129.1 | -53 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 952 | I | 29.4 | Very low | 27.1 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 77.1 | 113.7 | 137.7 | -68.9 | 166.7 | 0 | 0 | 0 | 120 | ||||
| 953 | N | 28.4 | Very low | 27.1 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 51.1 | 122.4 | 136.7 | -56.3 | 2.4 | 0 | 0 | 0 | 120.2 | ||||
| 954 | Q | 26.2 | Very low | 27.1 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | 62.5 | 92.8 | 74.4 | -71.7 | -171.4 | -11.1 | 0 | 0 | 115.4 | |||||
| 955 | S | 25.6 | Very low | 27.2 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | 32.3 | 126.9 | 124.7 | 58.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 956 | N | 26.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | -168.8 | 159.2 | 107 | -99.1 | -7.9 | 0 | 0 | 0 | 114 | |||||
| 957 | P | 38.9 | Very low | 27.3 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -97.7 | 175.9 | 170.5 | 40.1 | -35 | 0 | 0 | 0 | 113 | ||||
| 958 | T | 25.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | trans | -150.2 | 147.5 | 161.8 | 38.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 959 | D | 29.2 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -89 | -176.1 | -172.9 | -41.3 | -92.2 | 0 | 0 | 0 | 114.4 | ||||
| 960 | F | 28.4 | Very low | 27.5 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | -174.3 | 134.7 | 140.8 | -103.5 | -55.2 | 0 | 0 | 0 | 114.8 | L78 | L78-F960 HydrophobicContact CD1-CE1 3.88Å; L78-F960 HydrophobicContact CD1-CZ 4.19Å | ||
| 961 | I | 29.3 | Very low | 28 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | trans | 67.5 | 144.6 | 138.9 | -90.8 | 164.9 | 0 | 0 | 0 | 118.5 | ||||
| 962 | D | 26.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | cis | -161.1 | -173.5 | 4.3 | -134.3 | -21.1 | 0 | 0 | 0 | 114.1 | ||||
| 963 | T | 27.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | trans | 9.1 | 164 | 149.9 | 57.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 964 | E | 24.1 | Very low | 28.5 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | 165 | 174.4 | -13.8 | -169.6 | -158.3 | -119.6 | 0 | 0 | 105 | ||||
| 965 | S | 28.5 | Very low | 28.8 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | 65.2 | 177 | 153.3 | -80.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 966 | V | 30.3 | Very low | 29 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | cis | -151.7 | 172.6 | -32.2 | 129.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 967 | E | 26 | Very low | 29.1 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | trans | -48.1 | 163.1 | 173.3 | -42.8 | -177 | 97.3 | 0 | 0 | 118.4 | ||||
| 968 | K | 28.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | trans | 74.5 | 119.9 | 135.2 | -82.9 | 162.7 | -169.2 | 154.2 | 0 | 122 | ||||
| 969 | D | 25.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | 83.7 | 109.8 | 121.3 | -74.4 | -9.8 | 0 | 0 | 0 | 122.5 | |||||
| 970 | R | 24.8 | Very low | 28.9 | Very low | 220 Ų | 220 | 129.3 Ų | 129.3 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | 71.6 | 103.1 | 118.6 | -65.7 | 170.6 | 164.1 | 117.7 | 1.1 | 119 | |||||
| 971 | G | 33.9 | Very low | 28.8 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 154.9 | 143.4 | 133.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 972 | E | 31.6 | Very low | 28.5 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | cis | -151.2 | 112.6 | -11.5 | -98 | 174.7 | 169.7 | 0 | 0 | 104 | ||||
| 973 | S | 30.3 | Very low | 28.6 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 77.1 | 135.8 | 88.5 | 69.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 974 | E | 30.9 | Very low | 28.6 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | 79.2 | 135.2 | 170.2 | -46.9 | -162.5 | 160.3 | 0 | 0 | 117.6 | ||||
| 975 | G | 32 | Very low | 28.7 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 170.1 | -52.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 976 | G | 30.3 | Very low | 28.6 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | 85.9 | 157 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 977 | G | 29.4 | Very low | 28.5 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 136.8 | 64.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 978 | S | 29.8 | Very low | 28.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 162.3 | 166.1 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 979 | S | 30.5 | Very low | 28.8 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | cis | -173.7 | 171.9 | -8.7 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 980 | E | 28.6 | Very low | 29.1 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 17.8 | 151.2 | 138.9 | -65.7 | 158.1 | -163 | 0 | 0 | 121.9 | ||||
| 981 | S | 26.3 | Very low | 29.4 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | 175.2 | 136.2 | -28 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 982 | E | 23.8 | Very low | 29.4 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 69.1 | 158.2 | 159.7 | -61.1 | -169.2 | 156.7 | 0 | 0 | 122.5 | ||||
| 983 | V | 28.5 | Very low | 29.4 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 93.2 | 109.1 | 162.3 | -167.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 984 | S | 26.1 | Very low | 29.5 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 78 | 95 | 149.5 | -66.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 985 | C | 25.9 | Very low | 29.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | 57.5 | 124.6 | 116.5 | -55.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 986 | G | 26.8 | Very low | 29.5 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 135.9 | 127.5 | 132 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 987 | Y | 29.5 | Very low | 29.4 | Very low | 250 Ų | 250 | 134.1 Ų | 134.1 | 98% | 0.98 | 80% | 0.798 | S | S | * | * | trans | 64.4 | 141.2 | 168.2 | -60.4 | -93 | 0 | 0 | 0 | 118.2 | ||||
| 988 | G | 28.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | cis | 149.8 | 115 | -10.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 989 | G | 32.6 | Very low | 29.5 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 83.3 | 164.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 990 | V | 32 | Very low | 29.6 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | cis | -152.3 | 153.5 | -7.1 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 991 | R | 30.6 | Very low | 29.7 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -37.5 | 156.3 | 177.1 | -60.2 | 172.8 | 170.2 | 165.5 | -3.7 | 123.1 | ||||
| 992 | T | 32.9 | Very low | 30 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 179 | 164 | 136.4 | 17.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 993 | G | 32.9 | Very low | 30.3 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | cis | 154.4 | 153.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 994 | D | 32.6 | Very low | 30.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | cis | -166.7 | 168.7 | -4.5 | -65.5 | -57.8 | 0 | 0 | 0 | 111 | ||||
| 995 | N | 33.8 | Very low | 30.6 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 95.6 | 157.1 | 160.3 | -61.1 | -71.7 | 0 | 0 | 0 | 123 | ||||
| 996 | L | 28.7 | Very low | 30.8 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -130.4 | 170.4 | -171 | -56.2 | 103.1 | 0 | 0 | 0 | 114.8 | ||||
| 997 | R | 28.5 | Very low | 30.8 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | 100.2 | 148.2 | 132.1 | -150.1 | 176.4 | 174.5 | 172.8 | -1.4 | 120.6 | ||||
| 998 | S | 29.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 77.2 | 149.3 | 161.8 | -61.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 999 | A | 30.8 | Very low | 30.8 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | cis | -171.4 | 178.9 | -18.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1000 | D | 32.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 71.8 | 151 | 154.1 | -64.7 | -47.4 | 0 | 0 | 0 | 120.9 | ||||
| 1001 | N | 30.4 | Very low | 30.2 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | cis | -169.1 | -178.9 | -33.5 | -134.1 | -53.6 | 0 | 0 | 0 | 111.4 | ||||
| 1002 | H | 33.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 80.5 | 91.8 | 158.5 | -74.1 | -64.9 | 0 | 0 | 0 | 125.1 | ||||
| 1003 | S | 29.4 | Very low | 30 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | 50.2 | 140.8 | 109.9 | 66.4 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 1004 | S | 31.7 | Very low | 30.1 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 82.5 | 156.3 | 145 | 83.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1005 | N | 30.7 | Very low | 30.2 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | -166.4 | 146.8 | -24.2 | -106.2 | -4.3 | 0 | 0 | 0 | 112.8 | ||||
| 1006 | N | 28.7 | Very low | 30 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | 50.4 | 120.6 | 141.4 | -65.8 | -4.6 | 0 | 0 | 0 | 125.6 | ||||
| 1007 | N | 27.6 | Very low | 30 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | 89.8 | 111.1 | 117.7 | -66.4 | -3.3 | 0 | 0 | 0 | 126.1 | |||||
| 1008 | T | 25.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | 80.4 | 166.8 | 124.7 | 63.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1009 | Y | 30.7 | Very low | 30.2 | Very low | 219 Ų | 219 | 124 Ų | 124 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | trans | 84.5 | 115.4 | -171.3 | -63.5 | -77.3 | 0 | 0 | 0 | 115.5 | ||||
| 1010 | S | 23.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | cis | 118.8 | 147.3 | 3.3 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1011 | T | 30 | Very low | 29.6 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | 75.7 | 141.3 | 177.6 | 71.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1012 | T | 30.1 | Very low | 29.3 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | -157.6 | 150.9 | -4.1 | 6.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1013 | N | 27.4 | Very low | 28.9 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 54.4 | 110.3 | 147.3 | -58.3 | -12.4 | 0 | 0 | 0 | 121.1 | ||||
| 1014 | N | 35 | Very low | 28.6 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | -157.4 | 129 | 90.5 | -124.5 | -4 | 0 | 0 | 0 | 113.9 | |||||
| 1015 | T | 34.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | 41.6 | 106.8 | 158.9 | 54.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1016 | N | 29.4 | Very low | 28.1 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 74.7 | 132.8 | 63.1 | -64.5 | 11.5 | 0 | 0 | 0 | 113 | |||||
| 1017 | N | 30.6 | Very low | 28.1 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | cis | -144.7 | 160.2 | -5 | -82.6 | -24.9 | 0 | 0 | 0 | 106.7 | ||||
| 1018 | G | 31.3 | Very low | 28.1 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 95.6 | 144 | 34.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1019 | S | 30.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -163.3 | 161.9 | -2 | -63.2 | 0 | 0 | 0 | 0 | 108.7 | G1021 | S1019-G1021 PolarHBondContact O-N 3.06Å; S1019-G1021 VanDerWaalsContact O-N 3.14Å | ||
| 1020 | F | 23.2 | Very low | 28.1 | Very low | 231 Ų | 231 | 131.4 Ų | 131.4 | 100% | 1.013 | 74% | 0.744 | S | S | * | * | trans | -80.1 | 83.6 | 149.6 | -109.2 | -80.3 | 0 | 0 | 0 | 108.2 | ||||
| 1021 | G | 27.6 | Very low | 28.6 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -97.4 | 146.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1019 | S1019-G1021 PolarHBondContact O-N 3.06Å; S1019-G1021 VanDerWaalsContact O-N 3.14Å | ||
| 1022 | L | 23.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -80.5 | 159.4 | -174.4 | -81 | 161.6 | 0 | 0 | 0 | 114 | ||||
| 1023 | M | 23.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 71.3 | 102.7 | 152.3 | -69.5 | 162 | -175.5 | 0 | 0 | 119.8 | ||||
| 1024 | N | 22.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | 53.8 | 119.3 | 118.3 | -53.3 | -13.2 | 0 | 0 | 0 | 119.7 | |||||
| 1025 | N | 26.2 | Very low | 28.5 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | -160.5 | 153 | 103.5 | -109.9 | -17.7 | 0 | 0 | 0 | 115 | |||||
| 1026 | E | 26 | Very low | 28.3 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 46.9 | 96.7 | 151 | -60.3 | -176.3 | 135.1 | 0 | 0 | 119.9 | ||||
| 1027 | L | 28.4 | Very low | 28.3 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | S | Bend | -161.2 | 129.1 | 95.5 | -132.3 | 76.2 | 0 | 0 | 0 | 112.7 | |||
| 1028 | L | 28.8 | Very low | 28.1 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 54.5 | 131.5 | 167.9 | -84.2 | 71.8 | 0 | 0 | 0 | 118.7 | ||||
| 1029 | T | 28.6 | Very low | 27.8 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | cis | 175.2 | 144.8 | -26.4 | 21.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1030 | N | 28.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | trans | 64 | 154.4 | 150.5 | -66.6 | -42.1 | 0 | 0 | 0 | 115.9 | ||||
| 1031 | K | 33.4 | Very low | 28.1 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | cis | -175.8 | 161.7 | -2.5 | -108.9 | 169.3 | -170.8 | 160.1 | 0 | 104.9 | ||||
| 1032 | K | 32.4 | Very low | 28.1 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | cis | -160.9 | 151.4 | -14.6 | -151.3 | -174.7 | -178.6 | -164.1 | 0 | 108.4 | ||||
| 1033 | Y | 30.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | trans | -32.6 | 156.7 | 140.2 | -86.2 | -102.4 | 0 | 0 | 0 | 115.3 | ||||
| 1034 | G | 28.9 | Very low | 28.4 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | cis | -168.6 | -155.8 | 15.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1035 | C | 29.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 64% | 0.635 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -151.9 | 165.8 | 9.3 | -100.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1036 | H | 29.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | cis | -158.2 | 148.8 | 13.5 | -122.3 | -42.1 | 0 | 0 | 0 | 110.3 | ||||
| 1037 | I | 28.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | trans | 68.8 | 126.2 | 138.5 | -78.5 | 165.2 | 0 | 0 | 0 | 120.3 | ||||
| 1038 | D | 26.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | 58.1 | 132.8 | 151.6 | -49.4 | 0.7 | 0 | 0 | 0 | 118 | ||||
| 1039 | E | 26 | Very low | 29.3 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | 64 | 112.3 | 55.9 | -59 | -175.3 | 173 | 0 | 0 | 110.6 | |||||
| 1040 | I | 25.1 | Very low | 29.4 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | 58.3 | 125.7 | 67.3 | -59.7 | 175.5 | 0 | 0 | 0 | 109.6 | |||||
| 1041 | P | 35.5 | Very low | 29.5 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -143.3 | -156.5 | 14.6 | 29.1 | -1 | 0 | 0 | 0 | 115.5 | ||||
| 1042 | D | 26.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 94.2 | 127.8 | 140.6 | -66.7 | -15.2 | 0 | 0 | 0 | 123.6 | ||||
| 1043 | D | 29 | Very low | 29 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | 70.5 | 112.6 | 141.1 | -61.3 | -5.6 | 0 | 0 | 0 | 124.4 | ||||
| 1044 | D | 26.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 38.5 | 120.1 | 134.4 | -65.7 | -11.5 | 0 | 0 | 0 | 121.4 | ||||
| 1045 | Y | 30.3 | Very low | 28.7 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | 172.2 | 124.3 | 98.7 | -103.4 | -85.3 | 0 | 0 | 0 | 112.7 | |||||
| 1046 | L | 28 | Very low | 28.4 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 70.3 | 136.1 | 152.3 | -71.3 | 159.8 | 0 | 0 | 0 | 123 | ||||
| 1047 | T | 30.2 | Very low | 28.2 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | trans | 64.8 | 120.5 | 149.1 | 50.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1048 | G | 32.6 | Very low | 28.1 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 157.2 | 70.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1049 | D | 30.3 | Very low | 28.1 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 26.4 | 130.2 | 152.7 | -48 | -18.3 | 0 | 0 | 0 | 122.2 | ||||
| 1050 | D | 30.7 | Very low | 28.2 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 67.6 | 63.4 | 140 | -56.8 | -10.1 | 0 | 0 | 0 | 122.2 | ||||
| 1051 | T | 30.5 | Very low | 28.4 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | 50.2 | 101 | 129.7 | 59.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1052 | D | 24.6 | Very low | 28 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 91% | 0.914 | 74% | 0.738 | S | S | * | * | trans | -92.6 | 167.4 | 146.1 | -78.9 | -56.8 | 0 | 0 | 0 | 111.1 | ||||
| 1053 | G | 30.7 | Very low | 28 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -175.7 | 45.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1054 | D | 26.6 | Very low | 28 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 46.6 | 143.7 | 145.8 | -57 | -22.3 | 0 | 0 | 0 | 126.1 | ||||
| 1055 | D | 26 | Very low | 28.2 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | 62.2 | 104.7 | 143.2 | -81 | -2.5 | 0 | 0 | 0 | 125.2 | ||||
| 1056 | C | 23.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 72% | 0.716 | 73% | 0.731 | S | S | * | * | 45.7 | 124.8 | 114.3 | -73.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1057 | T | 25 | Very low | 28.3 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | 81.9 | 94.1 | 138 | 53.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1058 | D | 25.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | 85.7 | 124.6 | 116.7 | -146.1 | -17.1 | 0 | 0 | 0 | 121.6 | |||||
| 1059 | S | 28.5 | Very low | 28.5 | Very low | 64 Ų | 64 | 127.8 Ų | 127.8 | 45% | 0.448 | 70% | 0.702 | S | S | . | * | trans | 90 | 130.1 | 148.8 | -80.3 | 0 | 0 | 0 | 0 | 123.2 | Y919 | Y919-S1059 WeakPolarHBondContact CE2-O 3.34Å; Y919-S1059 PolarHBondContact OH-O 3.25Å | ||
| 1060 | I | 26.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 56% | 0.564 | 69% | 0.694 | S | S | * | * | trans | 79.6 | 111.2 | 132.1 | -70.4 | 171.9 | 0 | 0 | 0 | 120.7 | Y919 | Y919-I1060 VanDerWaalsContact OH-CB 3.23Å; Y919-I1060 WeakPolarHBondContact OH-CB 3.32Å; Y919-I1060 WeakPolarHBondContact OH-CG2 3.49Å; Y919-I1060 PolarHBondContact OH-O 3.39Å | ||
| 1061 | L | 29.5 | Very low | 28.4 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | 56.4 | 147.6 | 121.8 | -48.7 | -171.9 | 0 | 0 | 0 | 120.4 | |||||
| 1062 | D | 26.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | cis | -169.2 | -178.5 | -5.4 | -104.5 | -10.8 | 0 | 0 | 0 | 110.1 | ||||
| 1063 | D | 27.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 124 Ų | 124 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | trans | 71.8 | 111.1 | 156.8 | -56.9 | -17.2 | 0 | 0 | 0 | 118.3 | ||||
| 1064 | E | 27.6 | Very low | 28.8 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | 98.6 | 147.5 | 68.6 | -84.2 | 174.7 | -179.1 | 0 | 0 | 111.3 | |||||
| 1065 | E | 30.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 129 Ų | 129 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | cis | -156 | -170.8 | 4.6 | -139.8 | 172.5 | 179.3 | 0 | 0 | 111.6 | ||||
| 1066 | D | 30.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | trans | 79.1 | 112.1 | 161 | -69.7 | -26.6 | 0 | 0 | 0 | 121.2 | ||||
| 1067 | T | 30.7 | Very low | 29.6 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | cis | 94.1 | 150.9 | 36.4 | 75 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1068 | D | 30.9 | Very low | 29.8 | Very low | 101 Ų | 101 | 126 Ų | 126 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | cis | -161.1 | -168.4 | -11.5 | -115.1 | -14.6 | 0 | 0 | 0 | 112.9 | ||||
| 1069 | Y | 34.5 | Very low | 30 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | trans | 107.9 | 123.1 | 140.8 | -57.4 | -68.2 | 0 | 0 | 0 | 115.6 | ||||
| 1070 | D | 29.9 | Very low | 30.1 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | cis | 166.5 | 170.9 | -7.5 | -107 | 7.2 | 0 | 0 | 0 | 103.1 | ||||
| 1071 | E | 29.4 | Very low | 30.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | cis | -144.6 | 126.8 | 35.1 | -96.8 | -172.7 | 116.5 | 0 | 0 | 112.1 | ||||
| 1072 | V | 31.7 | Very low | 30.1 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | 52.8 | 142.9 | 128.4 | -55.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1073 | D | 30.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | cis | -135.9 | 145.1 | -3.6 | -95.6 | -34.6 | 0 | 0 | 0 | 110 | ||||
| 1074 | E | 32.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 66% | 0.657 | S | S | * | * | trans | -57.4 | 139 | -171.7 | -54.3 | 173.4 | 123.4 | 0 | 0 | 113.6 | ||||
| 1075 | Y | 34.3 | Very low | 30.4 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 57% | 0.569 | 66% | 0.659 | S | S | * | * | cis | 59.7 | 155 | 36.5 | -66.7 | -86.5 | 0 | 0 | 0 | 114.8 | ||||
| 1076 | D | 29.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | -159.5 | 174.5 | -56.7 | -100.5 | -15.9 | 0 | 0 | 0 | 106.4 | |||||
| 1077 | N | 29.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | 56.1 | 155 | 51.1 | -80.2 | 49.6 | 0 | 0 | 0 | 111.4 | |||||
| 1078 | D | 28.9 | Very low | 30.3 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 45% | 0.449 | 68% | 0.677 | S | S | . | * | cis | -157.3 | 157.1 | -17.8 | -85.3 | -14.1 | 0 | 0 | 0 | 104.5 | ||||
| 1079 | D | 30.2 | Very low | 30.3 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 48% | 0.476 | 69% | 0.686 | S | S | . | * | cis | -165.2 | 163.5 | -11.9 | -98.6 | -28.2 | 0 | 0 | 0 | 107.9 | N555 | N555-D1079 PolarHBondContact ND2-OD2 3.14Š| ||
| 1080 | D | 29.8 | Very low | 30.5 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | 54.2 | 152 | 142.2 | -59.9 | -23.2 | 0 | 0 | 0 | 125.5 | ||||
| 1081 | D | 29.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | 50.6 | 172.1 | 138.2 | -52.9 | -20.8 | 0 | 0 | 0 | 122.1 | ||||
| 1082 | D | 28.2 | Very low | 30.7 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | cis | -158.1 | -177.7 | -1.7 | -144.7 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 1083 | T | 29.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | trans | 78 | 106.3 | 151 | 50.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1084 | E | 27.5 | Very low | 30.6 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | 21.9 | 141.2 | 120.9 | -56.1 | -177.3 | 142 | 0 | 0 | 121.9 | |||||
| 1085 | N | 31.1 | Very low | 30.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | -175.2 | 110.9 | 116.8 | -103.6 | -87.3 | 0 | 0 | 0 | 113.6 | |||||
| 1086 | D | 28.3 | Very low | 30.2 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | 55 | 125.5 | 129.7 | -80.1 | 15.1 | 0 | 0 | 0 | 126.7 | |||||
| 1087 | I | 27.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | 77.7 | 115.3 | 132 | -61.5 | 166.7 | 0 | 0 | 0 | 120.3 | ||||
| 1088 | D | 32.9 | Very low | 30 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | -154.8 | 132.3 | 118 | -113.5 | -21.6 | 0 | 0 | 0 | 110.3 | |||||
| 1089 | D | 30.8 | Very low | 29.9 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | -145 | 138.3 | -175.3 | -177.7 | 27.8 | 0 | 0 | 0 | 108.1 | ||||
| 1090 | P | 38.7 | Very low | 29.8 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | -156.4 | 163.6 | 104.9 | 39.5 | -20.8 | 0 | 0 | 0 | 116.6 | |||||
| 1091 | D | 31.4 | Very low | 29.7 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 54% | 0.54 | 72% | 0.722 | S | S | . | * | 158.3 | 115.4 | 94 | -159.1 | 25.6 | 0 | 0 | 0 | 114 | |||||
| 1092 | R | 31.2 | Very low | 29.6 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | 80.8 | 141.1 | 163.3 | -57.3 | 168.2 | -143.9 | -179.9 | 13.2 | 121 | ||||
| 1093 | N | 30.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | cis | -174.1 | 135.5 | -25.3 | -108.4 | 5.1 | 0 | 0 | 0 | 110.3 | ||||
| 1094 | F | 31.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 51.2 | 147.2 | 138.4 | -66.5 | -118.9 | 0 | 0 | 0 | 121.6 | ||||
| 1095 | D | 29.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | cis | -172.1 | 154.9 | -21.2 | -101.7 | -0.8 | 0 | 0 | 0 | 109.7 | ||||
| 1096 | D | 29.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | 61.6 | -178.5 | 144.9 | -64.5 | -6.4 | 0 | 0 | 0 | 125.1 | ||||
| 1097 | E | 25.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -100.7 | 164 | -141 | -60.5 | -179.9 | 125.9 | 0 | 0 | 118.7 | ||||
| 1098 | E | 27.1 | Very low | 29.7 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 61.6 | 155.4 | 143.2 | -79.3 | -165.1 | 161.5 | 0 | 0 | 124.9 | ||||
| 1099 | D | 27.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | trans | 87.3 | 120 | 150.8 | -89.5 | -31.9 | 0 | 0 | 0 | 124.5 | ||||
| 1100 | R | 29.2 | Very low | 29.5 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | 68.9 | 109 | 143.7 | -62.8 | -175 | -161 | 80.6 | 26.4 | 123.2 | ||||
| 1101 | E | 26.7 | Very low | 29.1 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | 58.4 | 136.6 | 112.4 | -66.3 | 173.8 | 146.3 | 0 | 0 | 122.9 | |||||
| 1102 | D | 28.2 | Very low | 29 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 89.8 | 140.1 | 148.6 | -61.7 | -13.2 | 0 | 0 | 0 | 124.7 | ||||
| 1103 | D | 30.9 | Very low | 29 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 61.3 | 88.3 | 154.7 | -68.7 | -3.7 | 0 | 0 | 0 | 123.8 | ||||
| 1104 | E | 26.8 | Very low | 28.9 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | 48.4 | 146.2 | 112.5 | -131.1 | -171.4 | -136.6 | 0 | 0 | 123.8 | |||||
| 1105 | L | 30.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 135 Ų | 135 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 87.8 | 109.4 | 156.4 | -58.7 | 172 | 0 | 0 | 0 | 122.1 | ||||
| 1106 | S | 27.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | 59.6 | 125.3 | 128.4 | -55.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 1107 | G | 31.6 | Very low | 28.9 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | -179.9 | 71.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1108 | D | 27.5 | Very low | 29.2 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 125.2 | 179.9 | -81.7 | -59.6 | 0 | 0 | 0 | 114.9 | ||||
| 1109 | G | 28.4 | Very low | 29.3 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | 74.9 | 150 | 110 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1110 | C | 29.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 122 Ų | 122 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | trans | -157.9 | 129 | 153.6 | -102 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1111 | G | 30.5 | Very low | 29.5 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -176.7 | 9.7 | -175 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1112 | I | 30.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -10.6 | 132.2 | 160.8 | 13.9 | 173.2 | 0 | 0 | 0 | 116.4 | ||||
| 1113 | T | 30.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | -156.4 | 135.2 | 48.7 | 45.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1114 | S | 28.6 | Very low | 29.4 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | 74.9 | 149 | 85.6 | -39.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 1115 | I | 30.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 124 Ų | 124 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | cis | -149.6 | 138.6 | 24.1 | -59.5 | 167.1 | 0 | 0 | 0 | 112.4 | ||||
| 1116 | G | 29.7 | Very low | 29.4 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 80 | 152.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1117 | G | 30.2 | Very low | 29.4 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | cis | 170.6 | 137.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1118 | A | 32.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 56.2 | 127 | 167.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1119 | G | 27.9 | Very low | 29.3 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | -90 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1120 | G | 31.1 | Very low | 29.2 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -159.6 | 162.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1121 | R | 30.1 | Very low | 29.3 | Very low | 230 Ų | 230 | 123.8 Ų | 123.8 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -90 | 158.5 | -170.7 | -71.2 | -177 | -176.4 | 135.6 | -2 | 114.6 | ||||
| 1122 | D | 27.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | 45.9 | 130.7 | 135.8 | -56.2 | -30.3 | 0 | 0 | 0 | 122.3 | ||||
| 1123 | I | 27.4 | Very low | 29.1 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 65.6 | 102.7 | 141.1 | -61.7 | 163 | 0 | 0 | 0 | 117.7 | ||||
| 1124 | L | 28.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -167 | 156.7 | 112.4 | -108.3 | 165.9 | 0 | 0 | 0 | 112.5 | |||||
| 1125 | E | 27.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 163 | 166.3 | -62.8 | 173 | 110.3 | 0 | 0 | 111.2 | ||||
| 1126 | L | 30.1 | Very low | 28.8 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | 146.9 | 93.8 | 159.7 | -82.2 | 165.6 | 0 | 0 | 0 | 105.8 | ||||
| 1127 | S | 26.5 | Very low | 28.7 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | 67.5 | 123.9 | 77 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1128 | E | 29 | Very low | 28.6 | Very low | 198 Ų | 198 | 126.9 Ų | 126.9 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | 68.4 | 144.9 | 170.1 | -55.1 | 173.8 | -174.1 | 0 | 0 | 115.7 | ||||
| 1129 | G | 27.9 | Very low | 28.4 | Very low | 56 Ų | 56 | 127.6 Ų | 127.6 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | cis | 143.5 | 131.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1130 | T | 27.4 | Very low | 28.4 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | 63.2 | 165.2 | -179.3 | 77 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1131 | G | 31.8 | Very low | 28.4 | Very low | 59 Ų | 59 | 127.8 Ų | 127.8 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | cis | -125.6 | 154.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1132 | H | 29.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | 65.4 | 137.8 | 56.7 | -70.3 | -132.8 | 0 | 0 | 0 | 113.2 | |||||
| 1133 | S | 26.7 | Very low | 28.6 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | cis | -175.2 | -178.4 | -12.4 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1134 | S | 26.5 | Very low | 28.8 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | trans | 64.1 | 169.6 | 156.3 | 40.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1135 | F | 29.4 | Very low | 28.5 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | cis | -134.7 | 124.2 | 25.9 | -87.2 | -106.8 | 0 | 0 | 0 | 111.6 | ||||
| 1136 | T | 27.6 | Very low | 28.6 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | 68.8 | 143.8 | 82.4 | 76.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1137 | C | 28 | Very low | 28.2 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | -166.6 | 150.9 | 118.4 | -96.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1138 | S | 27.6 | Very low | 27.9 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | -170.9 | 170 | -13 | -113 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1139 | T | 29.4 | Very low | 28 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 77% | 0.767 | 69% | 0.685 | S | S | * | * | cis | -160 | 161.6 | 12 | 5.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1140 | S | 28.1 | Very low | 27.8 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | -173.5 | 155.9 | 3.6 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1141 | S | 30.3 | Very low | 27.6 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | trans | 64.8 | 161.2 | 143 | -69 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1142 | Y | 28.3 | Very low | 27.4 | Very low | 195 Ų | 195 | 124 Ų | 124 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | cis | -152.9 | 158 | -20.2 | -100.1 | -45.2 | 0 | 0 | 0 | 102.6 | ||||
| 1143 | H | 32.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | cis | -162.9 | -158.5 | 19.3 | -138.5 | -45.4 | 0 | 0 | 0 | 108.4 | ||||
| 1144 | K | 32 | Very low | 27.8 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | trans | 20.6 | 126.7 | 146.1 | -72.4 | 166.3 | 154.9 | -78.7 | 0 | 119.3 | E1146 | K1144-E1146 IonicContact NZ-OE1 2.89Å; K1144-E1146 PolarHBondContact NZ-OE1 3.4Å; K1144-E1146 IonicContact NZ-OE2 2.67Å; K1144-E1146 PolarHBondContact NZ-OE2 3.08Å | ||
| 1145 | S | 23.5 | Very low | 28.1 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | cis | 62.2 | 160.1 | 44.2 | 89.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1146 | E | 27.8 | Very low | 28 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | trans | 63.7 | 114.3 | -169.9 | -63.8 | 121.9 | 131.9 | 0 | 0 | 112.7 | K1144 | K1144-E1146 IonicContact NZ-OE1 2.89Å; K1144-E1146 PolarHBondContact NZ-OE1 3.4Å; K1144-E1146 IonicContact NZ-OE2 2.67Å; K1144-E1146 PolarHBondContact NZ-OE2 3.08Å | ||
| 1147 | Y | 22 | Very low | 28.1 | Very low | 202 Ų | 202 | 121.2 Ų | 121.2 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | 71.4 | 151.8 | 69.5 | -95.4 | -101.8 | 0 | 0 | 0 | 113.9 | |||||
| 1148 | E | 21.5 | Very low | 28.3 | Very low | 134 Ų | 134 | 121 Ų | 121 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | 51.5 | 95.4 | 166.4 | -77.5 | 126.5 | -148.4 | 0 | 0 | 114.4 | E1150 | E1148-E1150 HydrophobicContact CB-CG 4.29Å; E1148-E1150 PolarHBondContact O-N 3.25Å | ||
| 1149 | S | 30.5 | Very low | 28.2 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 84% | 0.839 | 67% | 0.67 | S | S | * | * | cis | 46.8 | 21.8 | 37.9 | 104.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1150 | E | 22.9 | Very low | 28.3 | Very low | 143 Ų | 143 | 122 Ų | 122 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | trans | -78.6 | 122.5 | 148.4 | -82.1 | -83.6 | 128.6 | 0 | 0 | 106.6 | E1148 | E1148-E1150 HydrophobicContact CB-CG 4.29Å; E1148-E1150 PolarHBondContact O-N 3.25Å | ||
| 1151 | S | 23.3 | Very low | 28.3 | Very low | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | 72 | 135.1 | 79.1 | 120.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 1152 | N | 28 | Very low | 28.3 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | cis | -155.8 | 166.5 | 10.7 | -106.6 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 1153 | H | 33.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | cis | -154.4 | 164 | 14.5 | -129.3 | -15.9 | 0 | 0 | 0 | 110.9 | ||||
| 1154 | T | 30 | Very low | 27.8 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | trans | 10.8 | 124.7 | 149.6 | 58 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1155 | S | 32.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | -159.3 | 148 | 61.9 | -64.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1156 | A | 27.9 | Very low | 27.5 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | 56.9 | 136.1 | 59.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1157 | T | 30.5 | Very low | 27.4 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 68% | 0.683 | S | S | * | * | cis | -142.5 | 177.7 | 21.6 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1158 | T | 31.8 | Very low | 27.4 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | trans | 57.7 | 109.4 | 147.3 | 47.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1159 | S | 25.5 | Very low | 27.5 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | 58.3 | 144.3 | 75.5 | 83.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1160 | H | 30.5 | Very low | 27.3 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | cis | -176.3 | 152.1 | 46.1 | -131.2 | -45.7 | 0 | 0 | 0 | 108.8 | ||||
| 1161 | L | 29.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 112 Ų | 112 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | trans | 70.7 | 153.3 | 156.4 | -51 | 165 | 0 | 0 | 0 | 114.9 | ||||
| 1162 | N | 29 | Very low | 27.4 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | cis | -159.2 | 165.2 | -8.1 | -124.4 | 1 | 0 | 0 | 0 | 113.2 | ||||
| 1163 | T | 28.3 | Very low | 27.3 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | 37.3 | 119.3 | 145.8 | -22 | 0 | 0 | 0 | 0 | 118.5 | I1165 | T1163-I1165 HydrophobicContact CG2-CD1 3.85Å; T1163-I1165 HydrophobicContact CG2-CG1 4.21Å | ||
| 1164 | T | 23.1 | Very low | 27.1 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | 43.8 | 163.4 | 71.5 | 55.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1165 | I | 27.4 | Very low | 27 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 68% | 0.677 | 69% | 0.693 | S | S | * | * | trans | 79.7 | 113.2 | -167.8 | -52.5 | 159.8 | 0 | 0 | 0 | 110 | T1163 | T1163-I1165 HydrophobicContact CG2-CD1 3.85Å; T1163-I1165 HydrophobicContact CG2-CG1 4.21Å | ||
| 1166 | S | 21.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | cis | 74.9 | 157.7 | 43.3 | -46.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1167 | T | 26.1 | Very low | 26.9 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | 57.5 | 106.4 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1168 | S | 22.4 | Very low | 26.9 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | 75.4 | 142.8 | 68.6 | 74.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1169 | T | 23.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | trans | 72.7 | 149.1 | 174.5 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1170 | T | 25.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | cis | -157.2 | 163.2 | 8 | -13.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1171 | S | 23.2 | Very low | 27.1 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | trans | 7.7 | 151.9 | 141.2 | 66.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1172 | T | 25.9 | Very low | 27 | Very low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | cis | -177.1 | -179.8 | 4.4 | 24 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1173 | T | 24.7 | Very low | 26.8 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | trans | 76.6 | 100.3 | 142.5 | 37.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1174 | T | 30.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | 40.2 | 124.9 | 118.3 | 60.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 1175 | N | 27.7 | Very low | 27 | Very low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | 171.6 | 134.6 | 102.5 | -91.5 | -40.3 | 0 | 0 | 0 | 116.1 | |||||
| 1176 | N | 29.8 | Very low | 26.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | trans | 31.3 | 127.5 | 135.1 | -45.7 | -17.8 | 0 | 0 | 0 | 121.8 | ||||
| 1177 | N | 27.7 | Very low | 27 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | 166.9 | 148.9 | 97.6 | -89.9 | -54.6 | 0 | 0 | 0 | 115.1 | |||||
| 1178 | H | 31.9 | Very low | 27 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | 62.9 | 152.9 | 160 | -62.7 | -39.2 | 0 | 0 | 0 | 118.5 | ||||
| 1179 | S | 31.7 | Very low | 27 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | cis | -176.6 | 159.9 | -17.2 | -91.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1180 | A | 28.6 | Very low | 27.1 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | cis | -173.3 | -169.3 | -17.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1181 | N | 30.8 | Very low | 26.9 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | 71.6 | 144.3 | 175 | -71.1 | -38.1 | 0 | 0 | 0 | 117.6 | ||||
| 1182 | K | 28.9 | Very low | 26.9 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | cis | -158.1 | 152.3 | -25 | -151 | 170.5 | -174.2 | 172.6 | 0 | 112.6 | ||||
| 1183 | V | 23.7 | Very low | 26.8 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | trans | -66.7 | 154 | 175.4 | -167.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1184 | N | 27.4 | Very low | 26.7 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | trans | 137.8 | 138.1 | 150 | -71.9 | -4.7 | 0 | 0 | 0 | 110.5 | ||||
| 1185 | N | 28.2 | Very low | 26.5 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | cis | -165.7 | 144.2 | 18.6 | -120.9 | -0.5 | 0 | 0 | 0 | 112.2 | ||||
| 1186 | Y | 26.2 | Very low | 26.4 | Very low | 208 Ų | 208 | 114 Ų | 114 | 82% | 0.816 | 61% | 0.611 | S | S | * | * | trans | 57.7 | 165.6 | 159.9 | -57.1 | -61.3 | 0 | 0 | 0 | 120.1 | ||||
| 1187 | S | 23.6 | Very low | 26.2 | Very low | 92 Ų | 92 | 114 Ų | 114 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | cis | -172.5 | 148 | -38.5 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1188 | S | 25.6 | Very low | 26 | Very low | 87 Ų | 87 | 112.9 Ų | 112.9 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | trans | 54.7 | 111.1 | 147.7 | 55 | 0 | 0 | 0 | 0 | 122 | ||||
| 1189 | N | 23.2 | Very low | 25.6 | Very low | 145 Ų | 145 | 110.5 Ų | 110.5 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | 82.2 | 126.8 | 121.3 | -62 | 11.3 | 0 | 0 | 0 | 122.6 | |||||
| 1190 | N | 23.6 | Very low | 25.3 | Very low | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | trans | 71.6 | 121.1 | 140.2 | -76 | 52.8 | 0 | 0 | 0 | 120.5 | ||||
| 1191 | E | 22.3 | Very low | 25.1 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | trans | 77 | 118.3 | 138.2 | -66 | 175.5 | -153.4 | 0 | 0 | 116.1 | ||||
| 1192 | I | 23.7 | Very low | 24.9 | Very low | 54 Ų | 54 | 113.4 Ų | 113.4 | 28% | 0.277 | 62% | 0.621 | S | S | . | * | cis | -177.6 | -151.8 | 6.1 | -134 | 170.3 | 0 | 0 | 0 | 109.2 | N337 Y338 S339 Q340 | N337-I1192 VanDerWaalsContact C-CG2 3.43Å; N337-I1192 WeakPolarHBondContact O-CG2 3.47Å; Y338-I1192 WeakPolarHBondContact O-CG2 3.33Å; S339-I1192 VanDerWaalsContact C-CG1 3.5Å; S339-I1192 WeakPolarHBondContact O-CG1 3.49Å; S339-I1192 WeakPolarHBondContact O-CG2 3.4Å; Q340-I1192 VanDerWaalsContact C-CD1 3.44Å; Q340-I1192 HydrophobicContact CB-CG1 4.29Å; Q340-I1192 WeakPolarHBondContact O-CD1 3.33Å; Q340-I1192 WeakPolarHBondContact O-CG1 3.41Å | ||
| 1193 | L | 22.3 | Very low | 24.6 | Very low | 53 Ų | 53 | 110.6 Ų | 110.6 | 28% | 0.277 | 62% | 0.615 | S | S | . | * | trans | 90.5 | -174.5 | 162.2 | -161.7 | 59.4 | 0 | 0 | 0 | 117.3 | N337 Y338 S339 R1269 D1270 | N337-L1193 HydrophobicContact CB-CB 3.79Å; N337-L1193 HydrophobicContact CB-CD2 3.58Å; N337-L1193 HydrophobicContact CB-CG 4.37Å; N337-L1193 VanDerWaalsContact OD1-CD2 3.28Å; N337-L1193 WeakPolarHBondContact OD1-CD2 3.39Å; Y338-L1193 WeakPolarHBondContact O-CA 3.12Å; Y338-L1193 WeakPolarHBondContact O-CB 3.36Å; Y338-L1193 WeakPolarHBondContact O-CD1 3.28Å; S339-L1193 PolarHBondContact O-N 2.97Å; S339-L1193 VanDerWaalsContact O-N 3.15Å; L1193-R1269 WeakPolarHBondContact CD2-O 3.4Å; L1193-D1270 HydrophobicContact CD1-CB 4.03Å | ||
| 1194 | F | 23.3 | Very low | 24.5 | Very low | 55 Ų | 55 | 108.6 Ų | 108.6 | 24% | 0.241 | 62% | 0.619 | C | S | . | * | -143.3 | -161.8 | -119.8 | -158.6 | 2.2 | 0 | 0 | 0 | 113.8 | R1269 D1270 E1271 Q1602 | F1194-R1269 PolarHBondContact O-NE 3.35Å; F1194-R1269 PolarHBondContact O-NH2 2.63Å; F1194-D1270 HydrophobicContact CB-CB 3.76Å; F1194-D1270 WeakPolarHBondContact CB-OD2 3.4Å; F1194-D1270 WeakPolarHBondContact CD1-OD2 3.31Å; F1194-D1270 HydrophobicContact CD2-CB 4.24Å; F1194-D1270 VanDerWaalsContact CD2-OD2 3.31Å; F1194-D1270 WeakPolarHBondContact CD2-OD2 3.49Å; F1194-D1270 HydrophobicContact CG-CB 4.23Å; F1194-D1270 WeakPolarHBondContact CG-OD2 3.38Å; F1194-E1271 HydrophobicContact CD2-CB 4.34Å; F1194-E1271 HydrophobicContact CE2-CB 3.93Å; F1194-E1271 HydrophobicContact CZ-CB 4.38Å; F1194-Q1602 VanDerWaalsContact CE1-NE2 3.3Å | |||
| 1195 | N | 25.7 | Very low | 24.4 | Very low | 54 Ų | 54 | 110.3 Ų | 110.3 | 29% | 0.289 | 62% | 0.62 | S | S | . | * | trans | -64 | -178 | -172.5 | -75.1 | -27 | 0 | 0 | 0 | 113.7 | R1269 D1270 E1271 | N1195-R1269 VanDerWaalsContact C-CZ 3.48Å; N1195-R1269 WeakPolarHBondContact O-CB 3.38Å; N1195-R1269 WeakPolarHBondContact O-CD 3.42Å; N1195-R1269 WeakPolarHBondContact O-CG 3.4Å; N1195-R1269 VanDerWaalsContact O-CZ 3.28Å; N1195-R1269 PolarHBondContact O-NE 2.91Å; N1195-R1269 PolarHBondContact O-NH2 2.69Å; N1195-D1270 VanDerWaalsContact CA-OD2 3.28Å; N1195-D1270 WeakPolarHBondContact CA-OD2 3.45Å; N1195-D1270 WeakPolarHBondContact CB-OD2 3.5Å; N1195-D1270 PolarHBondContact N-OD2 2.88Å; N1195-E1271 WeakPolarHBondContact CB-OE2 3.49Å; N1195-E1271 PolarHBondContact ND2-OE2 3.18Å | ||
| 1196 | N | 26.9 | Very low | 24.2 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | cis | -151.1 | 176.9 | -26.1 | -113.3 | -35.8 | 0 | 0 | 0 | 107 | ||||
| 1197 | N | 25.8 | Very low | 24.1 | Very low | 125 Ų | 125 | 115 Ų | 115 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | cis | -155.3 | 153.9 | -32.9 | -161.9 | -78 | 0 | 0 | 0 | 107.3 | T1199 | N1197-T1199 PolarHBondContact OD1-N 2.82Š| ||
| 1198 | S | 22.1 | Very low | 24.2 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | trans | -160.5 | 89.3 | 159.2 | 66 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1199 | T | 23.9 | Very low | 24.3 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | trans | 21.2 | 126 | 136.9 | 57.1 | 0 | 0 | 0 | 0 | 121.2 | N1197 | N1197-T1199 PolarHBondContact OD1-N 2.82Š| ||
| 1200 | T | 25.3 | Very low | 24.8 | Very low | 135 Ų | 135 | 111 Ų | 111 | 83% | 0.828 | 61% | 0.605 | S | S | * | * | trans | -131.9 | 111.4 | 134.8 | 37.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1201 | H | 24.7 | Very low | 25.1 | Very low | 153 Ų | 153 | 109.5 Ų | 109.5 | 71% | 0.708 | 59% | 0.594 | S | S | * | * | 79.3 | 99.6 | 91.2 | -96.3 | -58 | 0 | 0 | 0 | 115.9 | N1203 | H1201-N1203 PolarHBondContact CE1-OD1 3.27Å; H1201-N1203 PolarHBondContact ND1-OD1 3.35Å | |||
| 1202 | A | 26 | Very low | 25.4 | Very low | 106 Ų | 106 | 106.5 Ų | 106.5 | 88% | 0.876 | 58% | 0.584 | S | S | * | * | trans | -139.2 | 127.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1203 | N | 24.1 | Very low | 25.5 | Very low | 129 Ų | 129 | 106.1 Ų | 106.1 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | trans | -102.8 | 137.7 | -166.3 | -68.3 | -21.1 | 0 | 0 | 0 | 112.5 | H1201 | H1201-N1203 PolarHBondContact CE1-OD1 3.27Å; H1201-N1203 PolarHBondContact ND1-OD1 3.35Å | ||
| 1204 | G | 21.7 | Very low | 25.5 | Very low | 77 Ų | 77 | 107.3 Ų | 107.3 | 79% | 0.794 | 60% | 0.597 | S | S | * | * | trans | -159.6 | 37.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1206 | G1204-R1206 PolarHBondContact O-N 3.09Š| ||
| 1205 | F | 24.1 | Very low | 25.7 | Very low | 170 Ų | 170 | 109.2 Ų | 109.2 | 75% | 0.746 | 61% | 0.613 | S | S | * | * | trans | -78 | 119.4 | -174.6 | -83.1 | -81.6 | 0 | 0 | 0 | 113.7 | F1207 | F1205-F1207 HydrophobicContact CB-CD2 4.32Å; F1205-F1207 AromaticContact CD1-CD2 3.84Å; F1205-F1207 HydrophobicContact CD1-CD2 3.84Å; F1205-F1207 AromaticContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CZ 4.23Å; F1205-F1207 AromaticContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CZ 4.23Å; F1205-F1207 HydrophobicContact CG-CD2 4.4Å; F1205-F1207 HydrophobicContact CG-CE2 4.17Å | ||
| 1206 | R | 24.6 | Very low | 25.8 | Very low | 245 Ų | 245 | 114.5 Ų | 114.5 | 93% | 0.925 | 64% | 0.636 | S | S | * | * | trans | -105.2 | 105.4 | 154.6 | -82.8 | -168.8 | 172.8 | -158.3 | -0.2 | 109.8 | G1204 | G1204-R1206 PolarHBondContact O-N 3.09Š| ||
| 1207 | F | 24.3 | Very low | 25.8 | Very low | 171 Ų | 171 | 118.8 Ų | 118.8 | 75% | 0.75 | 65% | 0.653 | S | S | * | * | trans | -89.2 | 111.9 | 173.5 | -97.3 | -79.9 | 0 | 0 | 0 | 111.5 | F1205 | F1205-F1207 HydrophobicContact CB-CD2 4.32Å; F1205-F1207 AromaticContact CD1-CD2 3.84Å; F1205-F1207 HydrophobicContact CD1-CD2 3.84Å; F1205-F1207 AromaticContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CZ 4.23Å; F1205-F1207 AromaticContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CZ 4.23Å; F1205-F1207 HydrophobicContact CG-CD2 4.4Å; F1205-F1207 HydrophobicContact CG-CE2 4.17Å | ||
| 1208 | G | 24.9 | Very low | 26 | Very low | 52 Ų | 52 | 116.9 Ų | 116.9 | 54% | 0.536 | 64% | 0.643 | S | S | . | * | trans | -159.2 | 8.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1212 | G1208-T1212 PolarHBondContact O-OG1 3.38Š| ||
| 1209 | Q | 28.6 | Very low | 26.5 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | trans | -110.2 | 81.7 | -166.1 | -71.5 | -169.4 | -8.7 | 0 | 0 | 112.6 | T1212 T1213 | Q1209-T1212 WeakPolarHBondContact CA-OG1 3.25Å; Q1209-T1213 HydrophobicContact CB-CG2 3.68Å; Q1209-T1213 HydrophobicContact CG-CG2 3.58Å | ||
| 1210 | I | 32.4 | Very low | 26.8 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 35% | 0.354 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -125.1 | -36.1 | 161.4 | -62.7 | -176.9 | 0 | 0 | 0 | 111.1 | ||
| 1211 | F | 30.3 | Very low | 27.1 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 37% | 0.373 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -115.5 | -6.1 | 174 | -72.1 | -74.6 | 0 | 0 | 0 | 115.2 | W1391 E1421 | F1211-W1391 HydrophobicContact CD1-CB 4.14Å; F1211-W1391 AromaticContact CD1-CD1 3.68Å; F1211-W1391 AromaticContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CE1-CG 4.42Å; F1211-E1421 WeakPolarHBondContact CE1-OE2 3.47Å; F1211-E1421 HydrophobicContact CZ-CG 4.48Å; F1211-E1421 VanDerWaalsContact CZ-OE2 3.28Å; F1211-E1421 WeakPolarHBondContact CZ-OE2 3.43Å |
| 1212 | T | 28.3 | Very low | 27.6 | Very low | 69 Ų | 69 | 113.7 Ų | 113.7 | 42% | 0.423 | 60% | 0.6 | S | S | . | * | trans | -99.8 | 3.4 | -168.6 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | G1208 Q1209 S1214 | G1208-T1212 PolarHBondContact O-OG1 3.38Å; Q1209-T1212 WeakPolarHBondContact CA-OG1 3.25Å; T1212-S1214 PolarHBondContact O-N 2.97Å | ||
| 1213 | T | 25.7 | Very low | 28 | Very low | 45 Ų | 45 | 113.5 Ų | 113.5 | 28% | 0.276 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -86.3 | 43.4 | -175.6 | 48 | 0 | 0 | 0 | 0 | 114.4 | Q1209 | Q1209-T1213 HydrophobicContact CB-CG2 3.68Å; Q1209-T1213 HydrophobicContact CG-CG2 3.58Å |
| 1214 | S | 24 | Very low | 28.6 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -159.8 | 138.6 | 156.8 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | T1212 | T1212-S1214 PolarHBondContact O-N 2.97Š|
| 1215 | V | 27.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 69.1 | 118.7 | -167.7 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1216 | E | 26.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | trans | -85.3 | 155.3 | 170.9 | -63.8 | 173.1 | 128.6 | 0 | 0 | 110.1 | ||||
| 1217 | H | 27.3 | Very low | 30.6 | Very low | 182 Ų | 182 | 104.4 Ų | 104.4 | 84% | 0.843 | 54% | 0.536 | S | S | * | . | trans | 76 | 87.8 | 179.8 | -44.8 | 84.8 | 0 | 0 | 0 | 116.6 | ||||
| 1218 | D | 30.5 | Very low | 31 | Very low | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | -155.5 | 137.6 | 112 | -150 | -30.1 | 0 | 0 | 0 | 111.1 | K1220 | D1218-K1220 PolarHBondContact OD1-N 2.78Š| |||
| 1219 | Y | 32.5 | Very low | 31.7 | Very low | 181 Ų | 181 | 101 Ų | 101 | 71% | 0.71 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -81.5 | -23.5 | -179.1 | 41.4 | -86.7 | 0 | 0 | 0 | 112.2 | V1221 V1222 | Y1219-V1221 VanDerWaalsContact C-N 3.29Å; Y1219-V1221 PolarHBondContact O-N 2.79Å; Y1219-V1222 PolarHBondContact O-N 2.7Å |
| 1220 | K | 29.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 99.5 Ų | 99.5 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -28.1 | -176.1 | -64.5 | 169.4 | -175.2 | 167.2 | 0 | 113.8 | D1218 V1222 E1223 V1224 | D1218-K1220 PolarHBondContact OD1-N 2.78Å; K1220-V1222 VanDerWaalsContact C-N 3.32Å; K1220-V1222 PolarHBondContact O-N 3.37Å; K1220-E1223 PolarHBondContact O-N 3.08Å; K1220-V1224 PolarHBondContact O-N 2.85Å |
| 1221 | V | 33 | Very low | 32.5 | Very low | 61 Ų | 61 | 100.6 Ų | 100.6 | 37% | 0.37 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | Y1219 E1223 V1224 V1225 | Y1219-V1221 VanDerWaalsContact C-N 3.29Å; Y1219-V1221 PolarHBondContact O-N 2.79Å; V1221-E1223 VanDerWaalsContact C-N 3.33Å; V1221-E1223 PolarHBondContact O-N 3.03Å; V1221-V1224 PolarHBondContact O-N 3.02Å; V1221-V1225 WeakPolarHBondContact O-CG2 3.39Å; V1221-V1225 PolarHBondContact O-N 2.92Å; V1221-V1225 VanDerWaalsContact O-N 3.15Å |
| 1222 | V | 34.6 | Very low | 32.8 | Very low | 89 Ų | 89 | 99.1 Ų | 99.1 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | -179.3 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | Y1219 K1220 V1225 Q1226 | Y1219-V1222 PolarHBondContact O-N 2.7Å; K1220-V1222 VanDerWaalsContact C-N 3.32Å; K1220-V1222 PolarHBondContact O-N 3.37Å; V1222-V1225 PolarHBondContact O-N 3.42Å; V1222-Q1226 WeakPolarHBondContact O-CB 3.28Å; V1222-Q1226 WeakPolarHBondContact O-CG 3.41Å; V1222-Q1226 PolarHBondContact O-N 3.48Å |
| 1223 | E | 35 | Very low | 33.5 | Very low | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | -179 | -162.3 | -167 | 155 | 0 | 0 | 112.1 | K1220 V1221 Q1226 K1227 | K1220-E1223 PolarHBondContact O-N 3.08Å; V1221-E1223 VanDerWaalsContact C-N 3.33Å; V1221-E1223 PolarHBondContact O-N 3.03Å; E1223-Q1226 PolarHBondContact O-N 3.23Å; E1223-K1227 WeakPolarHBondContact O-CG 3.44Å; E1223-K1227 PolarHBondContact O-N 2.82Å; E1223-K1227 VanDerWaalsContact O-N 3.14Å; E1223-K1227 VanDerWaalsContact OE1-CE 3.28Å; E1223-K1227 WeakPolarHBondContact OE1-CE 3.27Å; E1223-K1227 IonicContact OE1-NZ 2.98Å; E1223-K1227 PolarHBondContact OE1-NZ 3.45Å |
| 1224 | V | 36 | Very low | 34.4 | Very low | 99 Ų | 99 | 104.6 Ų | 104.6 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 176 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | K1220 V1221 Q1226 K1227 F1228 | K1220-V1224 PolarHBondContact O-N 2.85Å; V1221-V1224 PolarHBondContact O-N 3.02Å; V1224-Q1226 PolarHBondContact O-N 3.27Å; V1224-K1227 PolarHBondContact O-N 2.92Å; V1224-F1228 PolarHBondContact O-N 3.36Å |
| 1225 | V | 35.3 | Very low | 35 | Very low | 71 Ų | 71 | 103.7 Ų | 103.7 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | V1221 V1222 K1227 F1228 I1229 | V1221-V1225 WeakPolarHBondContact O-CG2 3.39Å; V1221-V1225 PolarHBondContact O-N 2.92Å; V1221-V1225 VanDerWaalsContact O-N 3.15Å; V1222-V1225 PolarHBondContact O-N 3.42Å; V1225-K1227 VanDerWaalsContact C-N 3.3Å; V1225-K1227 PolarHBondContact O-N 3.05Å; V1225-F1228 PolarHBondContact O-N 3.14Å; V1225-F1228 VanDerWaalsContact O-N 3.12Å; V1225-I1229 WeakPolarHBondContact O-CG1 3.39Å; V1225-I1229 PolarHBondContact O-N 3.32Å |
| 1226 | Q | 36.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 100.9 Ų | 100.9 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61 | -36 | 178.9 | -78.5 | -178.1 | -19.7 | 0 | 0 | 113.2 | V1222 E1223 V1224 F1228 | V1222-Q1226 WeakPolarHBondContact O-CB 3.28Å; V1222-Q1226 WeakPolarHBondContact O-CG 3.41Å; V1222-Q1226 PolarHBondContact O-N 3.48Å; E1223-Q1226 PolarHBondContact O-N 3.23Å; V1224-Q1226 PolarHBondContact O-N 3.27Å; Q1226-F1228 VanDerWaalsContact C-N 3.28Å; Q1226-F1228 PolarHBondContact O-N 3.45Å |
| 1227 | K | 40.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 96.8 Ų | 96.8 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.6 | -18.6 | 177.1 | -71.8 | 172.5 | -175 | 173.3 | 0 | 114 | E1223 V1224 V1225 | E1223-K1227 WeakPolarHBondContact O-CG 3.44Å; E1223-K1227 PolarHBondContact O-N 2.82Å; E1223-K1227 VanDerWaalsContact O-N 3.14Å; E1223-K1227 VanDerWaalsContact OE1-CE 3.28Å; E1223-K1227 WeakPolarHBondContact OE1-CE 3.27Å; E1223-K1227 IonicContact OE1-NZ 2.98Å; E1223-K1227 PolarHBondContact OE1-NZ 3.45Å; V1224-K1227 PolarHBondContact O-N 2.92Å; V1225-K1227 VanDerWaalsContact C-N 3.3Å; V1225-K1227 PolarHBondContact O-N 3.05Å |
| 1228 | F | 33.9 | Very low | 37.2 | Very low | 111 Ų | 111 | 92.4 Ų | 92.4 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -94.6 | -30.7 | -174.8 | -133.3 | -87.5 | 0 | 0 | 0 | 114.6 | V1224 V1225 Q1226 P1230 K1231 L1232 | V1224-F1228 PolarHBondContact O-N 3.36Å; V1225-F1228 PolarHBondContact O-N 3.14Å; V1225-F1228 VanDerWaalsContact O-N 3.12Å; Q1226-F1228 VanDerWaalsContact C-N 3.28Å; Q1226-F1228 PolarHBondContact O-N 3.45Å; F1228-P1230 VanDerWaalsContact C-N 3.34Å; F1228-K1231 PolarHBondContact O-N 2.93Å; F1228-K1231 VanDerWaalsContact O-N 3.13Å; F1228-L1232 PolarHBondContact O-N 2.87Å |
| 1229 | I | 39.3 | Very low | 37.6 | Very low | 40 Ų | 40 | 91.3 Ų | 91.3 | 21% | 0.205 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -50.6 | -42.7 | -179.2 | -57.6 | 154.7 | 0 | 0 | 0 | 113.2 | V1225 K1231 L1232 K1233 H1495 | V1225-I1229 WeakPolarHBondContact O-CG1 3.39Å; V1225-I1229 PolarHBondContact O-N 3.32Å; I1229-K1231 PolarHBondContact O-N 3.1Å; I1229-L1232 PolarHBondContact O-N 3.46Å; I1229-K1233 HydrophobicContact CG2-CD 4.25Å; I1229-K1233 HydrophobicContact CG2-CG 4.4Å; I1229-K1233 PolarHBondContact O-N 3.3Å; I1229-H1495 WeakPolarHBondContact CD1-CE1 3.11Å; I1229-H1495 WeakPolarHBondContact CD1-NE2 3.34Å |
| 1230 | P | 37.6 | Very low | 37.9 | Very low | 85 Ų | 85 | 86.4 Ų | 86.4 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.3 | -36.1 | -178.4 | -21.2 | 34.6 | 0 | 0 | 0 | 113.3 | F1228 R1234 | F1228-P1230 VanDerWaalsContact C-N 3.34Å; P1230-R1234 WeakPolarHBondContact O-CB 3.3Å; P1230-R1234 PolarHBondContact O-N 2.92Å; P1230-R1234 VanDerWaalsContact O-N 3.09Å |
| 1231 | K | 40.2 | Very low | 38.7 | Very low | 93 Ų | 93 | 84.4 Ų | 84.4 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 178.2 | -62.7 | -160.5 | 179.4 | -160.6 | 0 | 111 | T189 F1228 I1229 R1234 S1235 | T189-K1231 PolarHBondContact OG1-NZ 2.96Å; F1228-K1231 PolarHBondContact O-N 2.93Å; F1228-K1231 VanDerWaalsContact O-N 3.13Å; I1229-K1231 PolarHBondContact O-N 3.1Å; K1231-R1234 WeakPolarHBondContact O-CB 3.14Å; K1231-R1234 PolarHBondContact O-N 2.93Å; K1231-S1235 PolarHBondContact O-N 3.42Å; K1231-S1235 VanDerWaalsContact O-N 3.15Å; K1231-S1235 PolarHBondContact O-OG 3.46Å |
| 1232 | L | 37.6 | Very low | 39.2 | Very low | 53 Ų | 53 | 86 Ų | 86 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 179.8 | -148.8 | 169.8 | 0 | 0 | 0 | 111.5 | F1228 I1229 R1234 S1235 L1236 V1498 | F1228-L1232 PolarHBondContact O-N 2.87Å; I1229-L1232 PolarHBondContact O-N 3.46Å; L1232-R1234 VanDerWaalsContact C-N 3.26Å; L1232-R1234 PolarHBondContact O-N 3.34Å; L1232-S1235 PolarHBondContact O-N 3.39Å; L1232-L1236 HydrophobicContact CD2-CD1 3.4Å; L1232-L1236 VanDerWaalsContact CD2-CD1 3.4Å; L1232-L1236 HydrophobicContact CD2-CG 4.03Å; L1232-L1236 PolarHBondContact O-N 3.12Å; L1232-V1498 HydrophobicContact CD1-CG1 4.43Å; L1232-V1498 HydrophobicContact CD2-CG1 3.63Å; L1232-V1498 HydrophobicContact CD2-CG2 4.43Å |
| 1233 | K | 41.5 | Very low | 39.4 | Very low | 67 Ų | 67 | 85.5 Ų | 85.5 | 29% | 0.291 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.2 | -36.2 | 171.3 | -78 | -172.9 | 177.2 | -178.8 | 0 | 112.5 | I1229 S1237 L1493 V1498 | I1229-K1233 HydrophobicContact CG2-CD 4.25Å; I1229-K1233 HydrophobicContact CG2-CG 4.4Å; I1229-K1233 PolarHBondContact O-N 3.3Å; K1233-S1237 WeakPolarHBondContact O-CB 3.45Å; K1233-S1237 PolarHBondContact O-N 3.42Å; K1233-L1493 PolarHBondContact NZ-O 3.32Å; K1233-V1498 HydrophobicContact CG-CG2 4.1Å |
| 1234 | R | 44.5 | Very low | 39.7 | Very low | 162 Ų | 162 | 88.8 Ų | 88.8 | 61% | 0.611 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.4 | -51.8 | 178.5 | -178.2 | 170.9 | -179.6 | 143.4 | 8.1 | 112.4 | P1230 K1231 L1232 L1236 S1237 E1238 | P1230-R1234 WeakPolarHBondContact O-CB 3.3Å; P1230-R1234 PolarHBondContact O-N 2.92Å; P1230-R1234 VanDerWaalsContact O-N 3.09Å; K1231-R1234 WeakPolarHBondContact O-CB 3.14Å; K1231-R1234 PolarHBondContact O-N 2.93Å; L1232-R1234 VanDerWaalsContact C-N 3.26Å; L1232-R1234 PolarHBondContact O-N 3.34Å; R1234-L1236 VanDerWaalsContact C-N 3.3Å; R1234-L1236 PolarHBondContact O-N 3.18Å; R1234-S1237 WeakPolarHBondContact O-CB 3.31Å; R1234-S1237 PolarHBondContact O-N 3.27Å; R1234-S1237 VanDerWaalsContact O-N 3.13Å; R1234-E1238 HydrophobicContact CG-CG 4.48Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.5Å; R1234-E1238 IonicContact CZ-OE1 3.33Å; R1234-E1238 IonicContact NE-OE1 2.71Å; R1234-E1238 PolarHBondContact NE-OE1 3.06Å; R1234-E1238 IonicContact NH2-OE1 3.2Å; R1234-E1238 PolarHBondContact NH2-OE1 2.78Å; R1234-E1238 WeakPolarHBondContact O-CG 3.28Å; R1234-E1238 PolarHBondContact O-N 2.93Å |
| 1235 | S | 37.3 | Very low | 40 | Very low | 60 Ų | 60 | 87.9 Ų | 87.9 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | -179.6 | -57 | 0 | 0 | 0 | 0 | 112.9 | K1231 L1232 L1239 | K1231-S1235 PolarHBondContact O-N 3.42Å; K1231-S1235 VanDerWaalsContact O-N 3.15Å; K1231-S1235 PolarHBondContact O-OG 3.46Å; L1232-S1235 PolarHBondContact O-N 3.39Å; S1235-L1239 WeakPolarHBondContact O-CB 3.44Å; S1235-L1239 PolarHBondContact O-N 3.32Å |
| 1236 | L | 39.5 | Very low | 39.7 | Very low | 36 Ų | 36 | 89.5 Ų | 89.5 | 19% | 0.188 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 173.2 | -73.2 | 170.9 | 0 | 0 | 0 | 112.5 | L1232 R1234 E1238 L1239 C1240 V1498 E1501 | L1232-L1236 HydrophobicContact CD2-CD1 3.4Å; L1232-L1236 VanDerWaalsContact CD2-CD1 3.4Å; L1232-L1236 HydrophobicContact CD2-CG 4.03Å; L1232-L1236 PolarHBondContact O-N 3.12Å; R1234-L1236 VanDerWaalsContact C-N 3.3Å; R1234-L1236 PolarHBondContact O-N 3.18Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; L1236-E1238 PolarHBondContact O-N 3.22Å; L1236-L1239 PolarHBondContact O-N 2.84Å; L1236-C1240 VanDerWaalsContact O-CB 3.26Å; L1236-C1240 WeakPolarHBondContact O-CB 3.36Å; L1236-C1240 PolarHBondContact O-N 3.03Å; L1236-V1498 HydrophobicContact CD1-CB 4.31Å; L1236-V1498 HydrophobicContact CD1-CG1 3.95Å; L1236-V1498 HydrophobicContact CD1-CG2 4.13Å; L1236-E1501 WeakPolarHBondContact CB-OE2 3.32Å; L1236-E1501 WeakPolarHBondContact CD1-OE2 3.37Å |
| 1237 | S | 43.5 | Very low | 39.5 | Very low | 80 Ų | 80 | 89.1 Ų | 89.1 | 56% | 0.559 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 172.2 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | K1233 R1234 C1240 S1241 | K1233-S1237 WeakPolarHBondContact O-CB 3.45Å; K1233-S1237 PolarHBondContact O-N 3.42Å; R1234-S1237 WeakPolarHBondContact O-CB 3.31Å; R1234-S1237 PolarHBondContact O-N 3.27Å; R1234-S1237 VanDerWaalsContact O-N 3.13Å; S1237-C1240 PolarHBondContact O-N 3.41Å; S1237-S1241 WeakPolarHBondContact O-CB 3.37Å; S1237-S1241 PolarHBondContact O-N 3.19Å; S1237-S1241 PolarHBondContact O-OG 3.44Å |
| 1238 | E | 42.8 | Very low | 39 | Very low | 89 Ų | 89 | 87.5 Ų | 87.5 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.4 | -72.9 | 163.6 | 172.9 | 0 | 0 | 110 | R1234 L1236 C1240 S1241 F1242 | R1234-E1238 HydrophobicContact CG-CG 4.48Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.5Å; R1234-E1238 IonicContact CZ-OE1 3.33Å; R1234-E1238 IonicContact NE-OE1 2.71Å; R1234-E1238 PolarHBondContact NE-OE1 3.06Å; R1234-E1238 IonicContact NH2-OE1 3.2Å; R1234-E1238 PolarHBondContact NH2-OE1 2.78Å; R1234-E1238 WeakPolarHBondContact O-CG 3.28Å; R1234-E1238 PolarHBondContact O-N 2.93Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; L1236-E1238 PolarHBondContact O-N 3.22Å; E1238-C1240 PolarHBondContact O-N 3.38Å; E1238-S1241 PolarHBondContact O-N 3.06Å; E1238-S1241 PolarHBondContact O-OG 3.23Å; E1238-F1242 WeakPolarHBondContact O-CB 3.37Å; E1238-F1242 PolarHBondContact O-N 3.28Å |
| 1239 | L | 39.5 | Very low | 38.7 | Very low | 64 Ų | 64 | 91.1 Ų | 91.1 | 34% | 0.335 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.6 | -173.6 | 69.4 | 0 | 0 | 0 | 113.3 | S1235 L1236 S1241 F1242 L1243 | S1235-L1239 WeakPolarHBondContact O-CB 3.44Å; S1235-L1239 PolarHBondContact O-N 3.32Å; L1236-L1239 PolarHBondContact O-N 2.84Å; L1239-S1241 VanDerWaalsContact C-N 3.34Å; L1239-S1241 PolarHBondContact O-N 3.47Å; L1239-F1242 WeakPolarHBondContact O-CB 3.48Å; L1239-F1242 PolarHBondContact O-N 3Å; L1239-L1243 HydrophobicContact CG-CD1 4.35Å; L1239-L1243 WeakPolarHBondContact O-CG 3.26Å; L1239-L1243 PolarHBondContact O-N 3.3Å |
| 1240 | C | 39.8 | Very low | 38.1 | Very low | 77 Ų | 77 | 96.7 Ų | 96.7 | 52% | 0.52 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 179.5 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | L1236 S1237 E1238 K1244 | L1236-C1240 VanDerWaalsContact O-CB 3.26Å; L1236-C1240 WeakPolarHBondContact O-CB 3.36Å; L1236-C1240 PolarHBondContact O-N 3.03Å; S1237-C1240 PolarHBondContact O-N 3.41Å; E1238-C1240 PolarHBondContact O-N 3.38Å; C1240-K1244 WeakPolarHBondContact O-CB 3.39Å; C1240-K1244 PolarHBondContact O-N 3.49Å |
| 1241 | S | 46.2 | Very low | 37.5 | Very low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 173.1 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | S1237 E1238 L1239 K1244 S1245 | S1237-S1241 WeakPolarHBondContact O-CB 3.37Å; S1237-S1241 PolarHBondContact O-N 3.19Å; S1237-S1241 PolarHBondContact O-OG 3.44Å; E1238-S1241 PolarHBondContact O-N 3.06Å; E1238-S1241 PolarHBondContact O-OG 3.23Å; L1239-S1241 VanDerWaalsContact C-N 3.34Å; L1239-S1241 PolarHBondContact O-N 3.47Å; S1241-K1244 PolarHBondContact O-N 3.41Å; S1241-S1245 WeakPolarHBondContact O-CB 3.47Å; S1241-S1245 PolarHBondContact O-N 3.45Å |
| 1242 | F | 42.8 | Very low | 36.9 | Very low | 95 Ų | 95 | 99.9 Ų | 99.9 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 175.3 | -179 | -105.3 | 0 | 0 | 0 | 111.8 | E1238 L1239 K1244 S1245 K1246 | E1238-F1242 WeakPolarHBondContact O-CB 3.37Å; E1238-F1242 PolarHBondContact O-N 3.28Å; L1239-F1242 WeakPolarHBondContact O-CB 3.48Å; L1239-F1242 PolarHBondContact O-N 3Å; F1242-K1244 VanDerWaalsContact C-N 3.27Å; F1242-K1244 PolarHBondContact O-N 3.43Å; F1242-S1245 PolarHBondContact O-N 2.66Å; F1242-S1245 PolarHBondContact O-OG 3.4Å; F1242-K1246 HydrophobicContact CE1-CD 4.14Å; F1242-K1246 HydrophobicContact CZ-CD 4.28Å; F1242-K1246 VanDerWaalsContact CZ-CE 3.43Å; F1242-K1246 PolarHBondContact O-N 3.07Å; F1242-K1246 VanDerWaalsContact O-N 3.12Å |
| 1243 | L | 37.8 | Very low | 36.4 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 41% | 0.408 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 175.4 | -70.7 | 171 | 0 | 0 | 0 | 112.3 | L1239 | L1239-L1243 HydrophobicContact CG-CD1 4.35Å; L1239-L1243 WeakPolarHBondContact O-CG 3.26Å; L1239-L1243 PolarHBondContact O-N 3.3Å |
| 1244 | K | 43.3 | Very low | 35.6 | Very low | 173 Ų | 173 | 100.8 Ų | 100.8 | 75% | 0.752 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.5 | -26.7 | 175.4 | -162.1 | 170.9 | -174.1 | 177.2 | 0 | 113.2 | C1240 S1241 F1242 | C1240-K1244 WeakPolarHBondContact O-CB 3.39Å; C1240-K1244 PolarHBondContact O-N 3.49Å; S1241-K1244 PolarHBondContact O-N 3.41Å; F1242-K1244 VanDerWaalsContact C-N 3.27Å; F1242-K1244 PolarHBondContact O-N 3.43Å |
| 1245 | S | 40.3 | Very low | 34.7 | Very low | 79 Ų | 79 | 99.6 Ų | 99.6 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.4 | -28.6 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 114 | S1241 F1242 N1247 | S1241-S1245 WeakPolarHBondContact O-CB 3.47Å; S1241-S1245 PolarHBondContact O-N 3.45Å; F1242-S1245 PolarHBondContact O-N 2.66Å; F1242-S1245 PolarHBondContact O-OG 3.4Å; S1245-N1247 VanDerWaalsContact C-N 3.31Å; S1245-N1247 PolarHBondContact O-N 2.87Å |
| 1246 | K | 30.9 | Very low | 34.1 | Very low | 105 Ų | 105 | 100.5 Ų | 100.5 | 46% | 0.457 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -75.5 | -9 | -179.8 | -88.3 | -168.6 | 176.3 | -177.1 | 0 | 114.9 | F1242 D1372 | F1242-K1246 HydrophobicContact CE1-CD 4.14Å; F1242-K1246 HydrophobicContact CZ-CD 4.28Å; F1242-K1246 VanDerWaalsContact CZ-CE 3.43Å; F1242-K1246 PolarHBondContact O-N 3.07Å; F1242-K1246 VanDerWaalsContact O-N 3.12Å; K1246-D1372 IonicContact NZ-OD1 3.94Å; K1246-D1372 IonicContact NZ-OD2 3.88Å; K1246-D1372 PolarHBondContact NZ-OD2 2.96Å |
| 1247 | N | 31.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 105 Ų | 105 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | trans | -129.9 | 79 | 178.8 | -76.5 | -68.5 | 0 | 0 | 0 | 111.9 | S1245 | S1245-N1247 VanDerWaalsContact C-N 3.31Å; S1245-N1247 PolarHBondContact O-N 2.87Å | ||
| 1248 | P | 29.8 | Very low | 32.5 | Very low | 102 Ų | 102 | 108 Ų | 108 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | trans | -77.2 | -19.6 | 175.3 | 31.1 | -34.3 | 0 | 0 | 0 | 113.6 | L1250 | P1248-L1250 PolarHBondContact O-N 2.94Å; P1248-L1250 VanDerWaalsContact O-N 3.14Å | ||
| 1249 | E | 26.3 | Very low | 31.5 | Very low | 186 Ų | 186 | 111.5 Ų | 111.5 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | trans | -90 | 63.1 | -173.2 | -62.7 | -167.3 | 149 | 0 | 0 | 113.4 | ||||
| 1250 | L | 27.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 113.4 Ų | 113.4 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | trans | -151 | 27.4 | 170.4 | -117.1 | 159.3 | 0 | 0 | 0 | 114.7 | P1248 | P1248-L1250 PolarHBondContact O-N 2.94Å; P1248-L1250 VanDerWaalsContact O-N 3.14Å | ||
| 1251 | T | 25 | Very low | 30.2 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | -137.5 | 82 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1252 | N | 26.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | trans | -170.5 | 95.4 | 157.5 | -88.8 | -36.5 | 0 | 0 | 0 | 105.8 | N1474 | N1252-N1474 PolarHBondContact OD1-ND2 3.48Š| ||
| 1253 | S | 28.1 | Very low | 28.4 | Very low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 68% | 0.677 | S | S | . | * | -170.4 | 157.9 | 94.7 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | E1472 N1473 | S1253-E1472 WeakPolarHBondContact OG-CA 3.3Å; S1253-E1472 PolarHBondContact OG-N 3.47Å; S1253-E1472 PolarHBondContact OG-O 3.35Å; S1253-E1472 VanDerWaalsContact OG-O 3.09Å; S1253-N1473 PolarHBondContact OG-N 2.9Å | |||
| 1254 | S | 25 | Very low | 27.7 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 54% | 0.538 | 69% | 0.688 | S | S | . | * | trans | -124.9 | 143.2 | -175.2 | -61 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1255 | T | 25.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 117 Ų | 117 | 85% | 0.847 | 69% | 0.69 | S | S | * | * | trans | 61.7 | 148.5 | 152.6 | 52 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1256 | A | 24.6 | Very low | 25.9 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | cis | -172.7 | -176.5 | -15 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1257 | T | 25.1 | Very low | 25.4 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | trans | 87.4 | 131.1 | 152.4 | -40.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1258 | I | 23.8 | Very low | 25 | Very low | 143 Ų | 143 | 117.2 Ų | 117.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | cis | -170.2 | 164.5 | -24.7 | -138.3 | 164.5 | 0 | 0 | 0 | 108.8 | ||||
| 1259 | L | 22.5 | Very low | 24.6 | Very low | 163 Ų | 163 | 119.1 Ų | 119.1 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | trans | 65.1 | 141 | 173.1 | -75.5 | 159.3 | 0 | 0 | 0 | 116.5 | ||||
| 1260 | S | 25.3 | Very low | 24.5 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | cis | -146.4 | -163.9 | -2 | 58.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1261 | S | 25.6 | Very low | 24.3 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | cis | -165.1 | 158.1 | 9.1 | 46 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1262 | S | 26.6 | Very low | 24.2 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | cis | -170.1 | 153.5 | -8.3 | 42.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1263 | S | 25.5 | Very low | 24 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | 43.1 | 117.3 | 155.6 | 54 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1264 | S | 22.9 | Very low | 23.8 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | cis | 54.6 | 126.7 | 36.8 | 95.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1265 | K | 23.5 | Very low | 23.6 | Very low | 181 Ų | 181 | 118.7 Ų | 118.7 | 79% | 0.787 | 68% | 0.68 | S | S | * | * | cis | -139.5 | -170.4 | 20.9 | -47.8 | 152.3 | -167.6 | 154.1 | 0 | 108.2 | ||||
| 1266 | S | 21.1 | Very low | 23.4 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | cis | -170.6 | 159.6 | 14.7 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1267 | L | 22 | Very low | 23.5 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | 77.1 | 138.6 | 146.6 | -77.7 | 161.1 | 0 | 0 | 0 | 122.3 | ||||
| 1268 | S | 21.6 | Very low | 23.5 | Very low | 59 Ų | 59 | 120.3 Ų | 120.3 | 41% | 0.413 | 67% | 0.674 | S | S | . | * | trans | 57.6 | 131 | 159.7 | 20.2 | 0 | 0 | 0 | 0 | 122 | N337 | N337-S1268 PolarHBondContact OD1-OG 3.44Š| ||
| 1269 | R | 22.9 | Very low | 23.6 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | 26.3 | 132.7 | 110 | -56.8 | 165.4 | 84.1 | 120.9 | -4.2 | 114 | L1193 F1194 N1195 | L1193-R1269 WeakPolarHBondContact CD2-O 3.4Å; F1194-R1269 PolarHBondContact O-NE 3.35Å; F1194-R1269 PolarHBondContact O-NH2 2.63Å; N1195-R1269 VanDerWaalsContact C-CZ 3.48Å; N1195-R1269 WeakPolarHBondContact O-CB 3.38Å; N1195-R1269 WeakPolarHBondContact O-CD 3.42Å; N1195-R1269 WeakPolarHBondContact O-CG 3.4Å; N1195-R1269 VanDerWaalsContact O-CZ 3.28Å; N1195-R1269 PolarHBondContact O-NE 2.91Å; N1195-R1269 PolarHBondContact O-NH2 2.69Å | |||
| 1270 | D | 23.5 | Very low | 23.7 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 36% | 0.358 | 65% | 0.653 | S | S | . | * | cis | -169.2 | -151.9 | 23 | -156.9 | 31.7 | 0 | 0 | 0 | 116.8 | L1193 F1194 N1195 | L1193-D1270 HydrophobicContact CD1-CB 4.03Å; F1194-D1270 HydrophobicContact CB-CB 3.76Å; F1194-D1270 WeakPolarHBondContact CB-OD2 3.4Å; F1194-D1270 WeakPolarHBondContact CD1-OD2 3.31Å; F1194-D1270 HydrophobicContact CD2-CB 4.24Å; F1194-D1270 VanDerWaalsContact CD2-OD2 3.31Å; F1194-D1270 WeakPolarHBondContact CD2-OD2 3.49Å; F1194-D1270 HydrophobicContact CG-CB 4.23Å; F1194-D1270 WeakPolarHBondContact CG-OD2 3.38Å; N1195-D1270 VanDerWaalsContact CA-OD2 3.28Å; N1195-D1270 WeakPolarHBondContact CA-OD2 3.45Å; N1195-D1270 WeakPolarHBondContact CB-OD2 3.5Å; N1195-D1270 PolarHBondContact N-OD2 2.88Å | ||
| 1271 | E | 23.2 | Very low | 23.7 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 38% | 0.383 | 66% | 0.657 | S | S | . | * | trans | -59.2 | 131.9 | -168.5 | -71.4 | -174.6 | 89.4 | 0 | 0 | 119.1 | F1194 N1195 | F1194-E1271 HydrophobicContact CD2-CB 4.34Å; F1194-E1271 HydrophobicContact CE2-CB 3.93Å; F1194-E1271 HydrophobicContact CZ-CB 4.38Å; N1195-E1271 WeakPolarHBondContact CB-OE2 3.49Å; N1195-E1271 PolarHBondContact ND2-OE2 3.18Å | ||
| 1272 | I | 23.7 | Very low | 23.6 | Very low | 140 Ų | 140 | 115.3 Ų | 115.3 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | 63.9 | 158.7 | 128.6 | -44.3 | 165.6 | 0 | 0 | 0 | 119.5 | |||||
| 1273 | I | 22.7 | Very low | 23.4 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | 74.7 | 95.9 | 173.1 | -46 | -174.1 | 0 | 0 | 0 | 113.5 | ||||
| 1274 | S | 22.2 | Very low | 23.3 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | cis | 76.6 | 111.1 | 48.3 | 87.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1275 | E | 22.3 | Very low | 23.3 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | trans | -172.6 | 127.8 | 131.6 | -98.7 | -171.3 | 136.8 | 0 | 0 | 107.1 | ||||
| 1276 | C | 20.6 | Very low | 23.3 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | 77.8 | 87.5 | 71.8 | -67 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1277 | I | 28 | Very low | 23.6 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 81% | 0.805 | 65% | 0.646 | S | S | * | * | trans | -158.5 | 111.5 | 148.5 | -95.8 | 147.4 | 0 | 0 | 0 | 103.3 | ||||
| 1278 | N | 24.2 | Very low | 23.7 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | 60.7 | 127.2 | 75.2 | -61.2 | -19.3 | 0 | 0 | 0 | 111.8 | |||||
| 1279 | T | 26.6 | Very low | 23.8 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 65% | 0.653 | S | S | * | * | cis | -158.3 | 156.4 | 0.5 | 6.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1280 | E | 23.3 | Very low | 24 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 42% | 0.416 | 67% | 0.669 | S | S | . | * | trans | -33.6 | 162.3 | 149.4 | -98.6 | -146.1 | 163 | 0 | 0 | 116.3 | T1824 | E1280-T1824 HydrophobicContact CG-CG2 4.39Å; E1280-T1824 WeakPolarHBondContact CG-OG1 3.41Å; E1280-T1824 WeakPolarHBondContact OE1-CB 3.13Å; E1280-T1824 PolarHBondContact OE1-OG1 3.44Å | ||
| 1281 | P | 25.9 | Very low | 24.2 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | -144.1 | 169.4 | 52.2 | 41.1 | -22 | 0 | 0 | 0 | 119 | |||||
| 1282 | V | 22.7 | Very low | 24.3 | Very low | 71 Ų | 71 | 128 Ų | 128 | 43% | 0.43 | 71% | 0.705 | S | S | . | * | trans | -101.6 | 154.6 | 171.9 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1283 | L | 23.4 | Very low | 24.4 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | 118.5 | 119.4 | 146.8 | -67.2 | 176.4 | 0 | 0 | 0 | 119.3 | ||||
| 1284 | M | 22.2 | Very low | 25.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | 69.9 | 160.4 | 143.8 | -53.4 | -111.1 | -92.9 | 0 | 0 | 116 | ||||
| 1285 | F | 24.8 | Very low | 25.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | cis | -116.8 | 147.5 | 11.1 | -89.1 | -112.9 | 0 | 0 | 0 | 111 | ||||
| 1286 | R | 23.4 | Very low | 25.4 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | 63.4 | 134.5 | 81.7 | -123.7 | -177.1 | -172.9 | -175 | 7.6 | 110.6 | |||||
| 1287 | E | 25.8 | Very low | 25.7 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | cis | -151.2 | 150.3 | 49.9 | -71 | -164.6 | 130.1 | 0 | 0 | 116.1 | ||||
| 1288 | S | 25.1 | Very low | 25.6 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | 44.4 | 112.3 | 125 | -46.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1289 | S | 23.7 | Very low | 25.9 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | 59.1 | 130.7 | 81 | 80.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1290 | V | 26.7 | Very low | 25.8 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | cis | -156.1 | 158.4 | 36.6 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1291 | G | 26.9 | Very low | 25.8 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | 127.4 | 84.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1292 | N | 26.7 | Very low | 26 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | 45.4 | 123 | 144.6 | -60 | -4.8 | 0 | 0 | 0 | 122.8 | ||||
| 1293 | F | 26.2 | Very low | 26.2 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | -20.4 | 165.4 | 148.4 | -61.1 | -86 | 0 | 0 | 0 | 119.6 | ||||
| 1294 | P | 37.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -135.5 | 176.7 | -26.8 | 37.2 | -21 | 0 | 0 | 0 | 113.4 | ||||
| 1295 | N | 24.1 | Very low | 26.5 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | -175.6 | 163.3 | 129.1 | -101.9 | -38 | 0 | 0 | 0 | 113.1 | |||||
| 1296 | S | 25.5 | Very low | 26.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -128.4 | 173.9 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1297 | I | 27.3 | Very low | 26.4 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | 80.1 | 126.5 | 162.2 | -53.8 | 151.8 | 0 | 0 | 0 | 117.4 | ||||
| 1298 | L | 25.4 | Very low | 26.3 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -136.2 | 156.7 | 133 | -87.4 | 178.1 | 0 | 0 | 0 | 107.5 | ||||
| 1299 | P | 29.7 | Very low | 26.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | S | Bend | cis | -114.2 | 179.8 | 5.8 | 41.1 | -31.2 | 0 | 0 | 0 | 114.6 | ||
| 1300 | L | 25 | Very low | 26.5 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | 79 | 68.7 | 166.1 | -54.3 | 176 | 0 | 0 | 0 | 117.7 | ||||
| 1301 | S | 24.4 | Very low | 26.6 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -36.2 | 159.8 | 131.2 | 18.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1302 | P | 30 | Very low | 26.7 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | -152.1 | -176.7 | 54 | 39.9 | -17.2 | 0 | 0 | 0 | 119.7 | |||||
| 1303 | S | 26.6 | Very low | 26.7 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | 66.4 | 100 | 148.3 | 49.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1304 | S | 28.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | 36.4 | 141.7 | 110.6 | 63.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1305 | S | 23.1 | Very low | 26.6 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 66 | 122 | 148.2 | 53.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1306 | L | 24.5 | Very low | 26.8 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | -1.1 | 137.6 | 132.5 | -111.9 | 167.3 | 0 | 0 | 0 | 117.1 | ||||
| 1307 | V | 20.9 | Very low | 27 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | trans | 71.7 | 137.3 | 167.7 | -171.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1308 | H | 23.7 | Very low | 27 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | cis | -124.5 | 168.5 | -14.2 | -100.5 | -57.3 | 0 | 0 | 0 | 105.3 | ||||
| 1309 | E | 26.4 | Very low | 26.9 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | cis | -152.5 | 168.8 | 20.6 | -143.1 | 157.4 | 136.6 | 0 | 0 | 111.5 | ||||
| 1310 | S | 27.2 | Very low | 26.6 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -71.7 | 131.7 | 169 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1311 | Q | 29.4 | Very low | 26.5 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | 66.6 | 179.5 | 168.8 | -44.1 | 178.5 | 18.8 | 0 | 0 | 112.6 | ||||
| 1312 | L | 27.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | cis | -134.8 | 166.4 | 4.1 | -62.7 | 79 | 0 | 0 | 0 | 110.6 | ||||
| 1313 | H | 28.2 | Very low | 26.4 | Very low | 150 Ų | 150 | 127 Ų | 127 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | trans | 70.2 | 144.2 | 146.1 | -69.9 | -15.8 | 0 | 0 | 0 | 117.5 | ||||
| 1314 | N | 27.9 | Very low | 26.2 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | cis | -158.4 | 170.7 | -8.8 | -124.1 | 5 | 0 | 0 | 0 | 112.8 | ||||
| 1315 | N | 32.7 | Very low | 26.3 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | trans | 78 | 125.4 | 165.3 | -52.9 | -14.8 | 0 | 0 | 0 | 115 | ||||
| 1316 | D | 29.8 | Very low | 26.5 | Very low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | cis | 77.6 | 140.7 | 40.1 | -59.5 | -25.6 | 0 | 0 | 0 | 111.9 | ||||
| 1317 | I | 28.7 | Very low | 26.7 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | cis | -156.4 | 175.7 | -3.4 | -123.4 | 166.3 | 0 | 0 | 0 | 109.9 | ||||
| 1318 | D | 26.6 | Very low | 27 | Very low | 119 Ų | 119 | 131 Ų | 131 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | 19.3 | 123.1 | 163.3 | -69.7 | -49.6 | 0 | 0 | 0 | 120.2 | ||||
| 1319 | S | 24.2 | Very low | 27.1 | Very low | 81 Ų | 81 | 127.7 Ų | 127.7 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | 71.9 | 147.8 | 56.6 | 102.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1320 | Q | 23.5 | Very low | 27.1 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | trans | 78.5 | 133.4 | 155.5 | -79.1 | -179.5 | 85.2 | 0 | 0 | 122.3 | ||||
| 1321 | V | 21.8 | Very low | 26.9 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | trans | 99 | 119.6 | 130.4 | 156.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1322 | K | 24.6 | Very low | 26.6 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | 69.6 | 152.7 | 167.9 | -67 | 151.1 | -166 | 163 | 0 | 115.6 | ||||
| 1323 | S | 28.1 | Very low | 26.4 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | cis | -147.8 | 134.7 | 3.5 | 2.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1324 | V | 23 | Very low | 26.6 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | 71.5 | 101.7 | 80.8 | 178.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1325 | S | 30.2 | Very low | 26.7 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | trans | -168.7 | 118.6 | 136.5 | -4.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1326 | H | 28 | Very low | 26.2 | Very low | 141 Ų | 141 | 127 Ų | 127 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | 68.9 | 125.1 | 66.6 | -72.1 | -10.1 | 0 | 0 | 0 | 112.6 | |||||
| 1327 | F | 28.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 74% | 0.737 | 72% | 0.722 | S | S | * | * | cis | -143.2 | 165.6 | 9.5 | -66.3 | -76.4 | 0 | 0 | 0 | 108.7 | ||||
| 1328 | D | 27.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | cis | -157.3 | 159.5 | -7.9 | -110.5 | -22.8 | 0 | 0 | 0 | 107.8 | ||||
| 1329 | S | 25.8 | Very low | 26.3 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | 68.4 | 126.1 | 67.4 | -43.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1330 | T | 25.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | cis | -147.3 | 158.4 | 8.3 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1331 | E | 22.5 | Very low | 26.8 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | cis | -169.2 | 150.5 | -19.1 | -107 | -178.1 | -87.8 | 0 | 0 | 107.9 | ||||
| 1332 | S | 24 | Very low | 27.2 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -169.2 | 111.6 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1333 | S | 22.9 | Very low | 27.3 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -169.5 | 124.2 | 167.4 | -82.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1334 | V | 33.5 | Very low | 27 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 15.1 | 140 | 142 | -158.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1335 | P | 28.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -137.2 | 163.9 | 135.2 | 37.5 | -25.3 | 0 | 0 | 0 | 114.1 | ||||
| 1336 | I | 23.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 65% | 0.651 | 74% | 0.735 | S | S | * | * | cis | -178.2 | 170.3 | -29.1 | -102.6 | 155.6 | 0 | 0 | 0 | 106.3 | ||||
| 1337 | F | 27.6 | Very low | 27 | Very low | 183 Ų | 183 | 134 Ų | 134 | 80% | 0.803 | 74% | 0.74 | S | S | * | * | trans | 86.4 | 133.6 | 172.9 | -64.4 | -52.2 | 0 | 0 | 0 | 117.5 | ||||
| 1338 | K | 30.1 | Very low | 26.7 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 70% | 0.7 | 75% | 0.746 | S | S | * | * | cis | -148.8 | 143.3 | 6 | -115.7 | -179.9 | -175.5 | 178.3 | 0 | 113 | ||||
| 1339 | D | 29.2 | Very low | 26.5 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | trans | 53 | 140.9 | 144 | -56.8 | -34.3 | 0 | 0 | 0 | 122 | ||||
| 1340 | N | 28.5 | Very low | 26.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | cis | 171.1 | 137.7 | -16.1 | -117.7 | -76.2 | 0 | 0 | 0 | 104.5 | ||||
| 1341 | K | 29.1 | Very low | 26.5 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | cis | -154.8 | -178.5 | 3.2 | -62.6 | -179.8 | -175.3 | -179.7 | 0 | 107.5 | ||||
| 1342 | G | 29.9 | Very low | 26.6 | Very low | 64 Ų | 64 | 130.6 Ų | 130.6 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | 136.2 | 106.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1343 | N | 26.3 | Very low | 26.9 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | 69.2 | 156.9 | 160.2 | -65.2 | 12.4 | 0 | 0 | 0 | 118.8 | ||||
| 1344 | C | 22.6 | Very low | 27.1 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | cis | -163.1 | 147.4 | 10.8 | -121.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1345 | F | 24.2 | Very low | 26.8 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | 51.8 | -170.1 | 153.8 | -73.3 | -84.2 | 0 | 0 | 0 | 120.5 | ||||
| 1346 | P | 34.6 | Very low | 26.7 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | -140.1 | -169.1 | -94.6 | 45.1 | -24.8 | 0 | 0 | 0 | 118.6 | |||||
| 1347 | T | 22.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 76.3 | 137.9 | 156.6 | 43.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1348 | L | 22.4 | Very low | 26.8 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | 11 | 143.4 | 152.6 | -91.8 | 64.4 | 0 | 0 | 0 | 119.8 | ||||
| 1349 | S | 22.3 | Very low | 26.8 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | cis | -170.2 | 158.2 | 26.9 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1350 | T | 23.8 | Very low | 26.5 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | 54.8 | 135.9 | 156.4 | 53.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1351 | S | 28 | Very low | 26.4 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | cis | -150.2 | 160.7 | 30.8 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1352 | S | 25 | Very low | 26.4 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -86.5 | -178 | 177.3 | 4.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1353 | P | 30.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -135.6 | 164.5 | -27.3 | 35.2 | -18.9 | 0 | 0 | 0 | 114 | ||||
| 1354 | S | 25.5 | Very low | 26.4 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | -166.2 | 126.6 | 145.9 | -81.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1355 | T | 27.2 | Very low | 26.7 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | -136.4 | 106.5 | -171.3 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1356 | A | 28.2 | Very low | 27.5 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -163.5 | 133.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1357 | Q | 26.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.593 | 70% | 0.696 | S | S | * | * | cis | -160 | 175.6 | -3 | -159.7 | -177.1 | 7.2 | 0 | 0 | 108.5 | C1808 | Q1357-C1808 PolarHBondContact NE2-O 2.98Š| ||
| 1358 | I | 26.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | 68.8 | 103.4 | 163 | -49.8 | 171.6 | 0 | 0 | 0 | 116.5 | ||||
| 1359 | N | 30.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 109.8 Ų | 109.8 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | -157.8 | 117.8 | 102.6 | -146.1 | 3.4 | 0 | 0 | 0 | 110.6 | |||||
| 1360 | E | 23.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 107.2 Ų | 107.2 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | trans | -94 | 119.8 | 177.4 | -67.7 | -171.1 | 150.6 | 0 | 0 | 110.3 | T1809 | E1360-T1809 WeakPolarHBondContact OE1-CG2 3.41Å; E1360-T1809 PolarHBondContact OE1-OG1 2.77Å | ||
| 1361 | N | 26 | Very low | 36.6 | Very low | 89 Ų | 89 | 102.7 Ų | 102.7 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | trans | -168.2 | 98.3 | 161.7 | -104.7 | -45.4 | 0 | 0 | 0 | 109.5 | V1695 I1696 | N1361-V1695 HydrophobicContact CB-CB 4.47Å; N1361-I1696 PolarHBondContact OD1-O 3.33Å | ||
| 1362 | S | 28.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 99.8 Ų | 99.8 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | trans | -153.4 | 112 | 173.9 | -76.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1363 | A | 27.4 | Very low | 41.2 | Very low | 47 Ų | 47 | 95.3 Ų | 95.3 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | trans | -70.4 | 146.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1365 V1695 I1696 | A1363-T1365 PolarHBondContact O-N 3.18Å; A1363-V1695 HydrophobicContact CB-CG1 3.94Å; A1363-I1696 HydrophobicContact CB-CB 4.04Å; A1363-I1696 HydrophobicContact CB-CD1 4.16Å; A1363-I1696 HydrophobicContact CB-CG2 4.3Å | ||
| 1364 | T | 28.5 | Very low | 43.7 | Very low | 95 Ų | 95 | 90 Ų | 90 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | trans | -71.9 | 106.7 | 169.6 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | T1366 | T1364-T1366 PolarHBondContact O-N 1.91Š| ||
| 1365 | T | 28.7 | Very low | 46.4 | Very low | 141 Ų | 141 | 86.7 Ų | 86.7 | 87% | 0.865 | 50% | 0.501 | S | S | * | . | trans | -69.7 | 92 | 176.8 | -46.1 | 0 | 0 | 0 | 0 | 110.7 | A1363 N1367 | A1363-T1365 PolarHBondContact O-N 3.18Å; T1365-N1367 PolarHBondContact O-N 2.89Å | ||
| 1366 | T | 42.2 | Very low | 48.9 | Very low | 84 Ų | 84 | 81.7 Ų | 81.7 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | trans | -65.3 | 116.2 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | T1364 P1368 | T1364-T1366 PolarHBondContact O-N 1.91Å; T1366-P1368 VanDerWaalsContact O-CD 3.26Å; T1366-P1368 WeakPolarHBondContact O-CD 3.46Å | ||
| 1367 | N | 55.7 | Low | 51.4 | Low | 87 Ų | 87 | 77.2 Ų | 77.2 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | trans | -68.8 | 110.7 | 173.5 | -179 | -13.4 | 0 | 0 | 0 | 110.1 | T1365 Y1369 L1370 | T1365-N1367 PolarHBondContact O-N 2.89Å; N1367-Y1369 PolarHBondContact O-N 3.46Å; N1367-Y1369 WeakPolarHBondContact OD1-CB 3.35Å; N1367-Y1369 PolarHBondContact OD1-N 2.94Å; N1367-Y1369 VanDerWaalsContact OD1-N 3.15Å; N1367-L1370 HydrophobicContact CB-CD1 4.43Å; N1367-L1370 HydrophobicContact CB-CG 4.46Å; N1367-L1370 PolarHBondContact O-N 3.45Å; N1367-L1370 VanDerWaalsContact O-N 3.16Å | ||
| 1368 | P | 61 | Low | 54.3 | Low | 90 Ų | 90 | 71.4 Ų | 71.4 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.8 | -26.9 | -172 | 27.4 | -35.3 | 0 | 0 | 0 | 112.9 | T1366 L1370 D1371 D1372 | T1366-P1368 VanDerWaalsContact O-CD 3.26Å; T1366-P1368 WeakPolarHBondContact O-CD 3.46Å; P1368-L1370 VanDerWaalsContact C-N 3.31Å; P1368-L1370 PolarHBondContact O-N 3.39Å; P1368-D1371 PolarHBondContact O-N 2.87Å; P1368-D1372 PolarHBondContact O-N 3.47Å |
| 1369 | Y | 58.8 | Low | 57 | Low | 108 Ų | 108 | 68.1 Ų | 68.1 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.3 | 177.8 | -103.1 | 0 | 0 | 0 | 112.3 | N1367 D1371 L1373 | N1367-Y1369 PolarHBondContact O-N 3.46Å; N1367-Y1369 WeakPolarHBondContact OD1-CB 3.35Å; N1367-Y1369 PolarHBondContact OD1-N 2.94Å; N1367-Y1369 VanDerWaalsContact OD1-N 3.15Å; Y1369-D1371 VanDerWaalsContact C-N 3.34Å; Y1369-L1373 VanDerWaalsContact O-CB 3.26Å; Y1369-L1373 WeakPolarHBondContact O-CB 3.44Å; Y1369-L1373 PolarHBondContact O-N 3.04Å |
| 1370 | L | 66 | Low | 59.5 | Low | 35 Ų | 35 | 61.9 Ų | 61.9 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.8 | -24.5 | 178.4 | -67.3 | -177.9 | 0 | 0 | 0 | 112.8 | N1367 P1368 L1373 L1374 N1512 L1513 | N1367-L1370 HydrophobicContact CB-CD1 4.43Å; N1367-L1370 HydrophobicContact CB-CG 4.46Å; N1367-L1370 PolarHBondContact O-N 3.45Å; N1367-L1370 VanDerWaalsContact O-N 3.16Å; P1368-L1370 VanDerWaalsContact C-N 3.31Å; P1368-L1370 PolarHBondContact O-N 3.39Å; L1370-L1373 HydrophobicContact CD2-CD2 4.41Å; L1370-L1374 WeakPolarHBondContact O-CB 3.22Å; L1370-L1374 PolarHBondContact O-N 3.45Å; L1370-N1512 HydrophobicContact CD2-CB 4.05Å; L1370-L1513 HydrophobicContact CD2-CD2 4.31Å |
| 1371 | D | 74.7 | Confident | 62.6 | Low | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -84.9 | -36.6 | 177.2 | -67.9 | -31.6 | 0 | 0 | 0 | 111.7 | P1368 Y1369 L1373 L1374 S1375 R1645 K1650 | P1368-D1371 PolarHBondContact O-N 2.87Å; Y1369-D1371 VanDerWaalsContact C-N 3.34Å; D1371-L1373 VanDerWaalsContact C-N 3.33Å; D1371-L1373 PolarHBondContact O-N 2.92Å; D1371-L1374 PolarHBondContact O-N 3.12Å; D1371-S1375 WeakPolarHBondContact O-CB 3.48Å; D1371-S1375 PolarHBondContact O-N 3.27Å; D1371-R1645 IonicContact OD1-NH1 3.59Å; D1371-K1650 WeakPolarHBondContact OD1-CD 3.4Å; D1371-K1650 IonicContact OD1-NZ 2.89Å; D1371-K1650 PolarHBondContact OD1-NZ 3.39Å; D1371-K1650 IonicContact OD2-NZ 1.91Å; D1371-K1650 PolarHBondContact OD2-NZ 3.47Å |
| 1372 | D | 75.2 | Confident | 65.6 | Low | 56 Ų | 56 | 52.7 Ų | 52.7 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 166 | -80.7 | -7.1 | 0 | 0 | 0 | 111 | K1246 P1368 S1376 | K1246-D1372 IonicContact NZ-OD1 3.94Å; K1246-D1372 IonicContact NZ-OD2 3.88Å; K1246-D1372 PolarHBondContact NZ-OD2 2.96Å; P1368-D1372 PolarHBondContact O-N 3.47Å; D1372-S1376 WeakPolarHBondContact O-CB 3.43Å; D1372-S1376 PolarHBondContact O-N 3.47Å; D1372-S1376 PolarHBondContact O-OG 2.91Å |
| 1373 | L | 75.2 | Confident | 68.2 | Low | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177 | -172.4 | 75.8 | 0 | 0 | 0 | 112 | Y1369 L1370 D1371 S1376 L1377 L1505 L1509 N1512 | Y1369-L1373 VanDerWaalsContact O-CB 3.26Å; Y1369-L1373 WeakPolarHBondContact O-CB 3.44Å; Y1369-L1373 PolarHBondContact O-N 3.04Å; L1370-L1373 HydrophobicContact CD2-CD2 4.41Å; D1371-L1373 VanDerWaalsContact C-N 3.33Å; D1371-L1373 PolarHBondContact O-N 2.92Å; L1373-S1376 PolarHBondContact O-N 2.9Å; L1373-L1377 PolarHBondContact O-N 2.91Å; L1373-L1505 HydrophobicContact CD1-CD1 3.59Å; L1373-L1509 HydrophobicContact CD2-CD1 4.48Å; L1373-L1509 HydrophobicContact CG-CD1 4.32Å; L1373-N1512 HydrophobicContact CD2-CB 4.37Å; L1373-N1512 WeakPolarHBondContact CD2-ND2 3.48Å |
| 1374 | L | 82.4 | Confident | 71 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.4 | 174 | 63.2 | 0 | 0 | 0 | 111.7 | L1370 D1371 L1377 C1378 L1513 F1641 R1645 K1650 | L1370-L1374 WeakPolarHBondContact O-CB 3.22Å; L1370-L1374 PolarHBondContact O-N 3.45Å; D1371-L1374 PolarHBondContact O-N 3.12Å; L1374-L1377 PolarHBondContact O-N 3.34Å; L1374-C1378 PolarHBondContact O-N 3.14Å; L1374-C1378 PolarHBondContact O-SG 3.21Å; L1374-L1513 HydrophobicContact CD1-CD1 4.43Å; L1374-F1641 HydrophobicContact CD1-CE1 3.89Å; L1374-F1641 HydrophobicContact CD1-CZ 4.31Å; L1374-R1645 HydrophobicContact CD1-CB 4.43Å; L1374-R1645 HydrophobicContact CD1-CG 4.27Å; L1374-R1645 HydrophobicContact CD2-CB 3.89Å; L1374-R1645 HydrophobicContact CD2-CG 3.76Å; L1374-K1650 HydrophobicContact CD2-CB 3.83Å; L1374-K1650 HydrophobicContact CD2-CD 4.35Å |
| 1375 | S | 82.8 | Confident | 73.9 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | D1371 L1377 C1378 S1379 | D1371-S1375 WeakPolarHBondContact O-CB 3.48Å; D1371-S1375 PolarHBondContact O-N 3.27Å; S1375-L1377 VanDerWaalsContact C-N 3.3Å; S1375-L1377 PolarHBondContact O-N 2.96Å; S1375-C1378 PolarHBondContact O-N 3.25Å; S1375-S1379 PolarHBondContact O-N 3.05Å; S1375-S1379 VanDerWaalsContact O-N 3.08Å |
| 1376 | S | 78.5 | Confident | 76.8 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -42.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | D1372 L1373 L1380 | D1372-S1376 WeakPolarHBondContact O-CB 3.43Å; D1372-S1376 PolarHBondContact O-N 3.47Å; D1372-S1376 PolarHBondContact O-OG 2.91Å; L1373-S1376 PolarHBondContact O-N 2.9Å; S1376-L1380 PolarHBondContact O-N 3.03Å; S1376-L1380 VanDerWaalsContact O-N 3.1Å |
| 1377 | L | 81.6 | Confident | 78.8 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.4 | -35.1 | 177.4 | -178.6 | 115.5 | 0 | 0 | 0 | 113.2 | L1373 L1374 S1375 S1379 L1380 L1381 L1505 I1506 L1509 L1642 | L1373-L1377 PolarHBondContact O-N 2.91Å; L1374-L1377 PolarHBondContact O-N 3.34Å; S1375-L1377 VanDerWaalsContact C-N 3.3Å; S1375-L1377 PolarHBondContact O-N 2.96Å; L1377-S1379 VanDerWaalsContact C-N 3.28Å; L1377-S1379 PolarHBondContact O-N 3.24Å; L1377-L1380 CarbonylContact O-C 3.56Å; L1377-L1380 PolarHBondContact O-N 3.21Å; L1377-L1380 VanDerWaalsContact O-N 3.17Å; L1377-L1381 HydrophobicContact CD2-CD1 3.5Å; L1377-L1381 HydrophobicContact CD2-CG 4.06Å; L1377-L1381 HydrophobicContact CG-CD1 4.12Å; L1377-L1381 HydrophobicContact CG-CG 4.11Å; L1377-L1381 WeakPolarHBondContact O-CB 3.2Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3Å; L1377-L1505 HydrophobicContact CB-CD2 4.26Å; L1377-I1506 HydrophobicContact CD1-CG1 4.01Å; L1377-L1509 HydrophobicContact CB-CD1 3.56Å; L1377-L1509 HydrophobicContact CD1-CB 3.86Å; L1377-L1509 HydrophobicContact CD1-CD1 3.84Å; L1377-L1509 HydrophobicContact CD1-CD2 3.77Å; L1377-L1509 HydrophobicContact CD1-CG 3.99Å; L1377-L1509 HydrophobicContact CD2-CD1 3.64Å; L1377-L1509 HydrophobicContact CD2-CD2 3.49Å; L1377-L1509 VanDerWaalsContact CD2-CD2 3.49Å; L1377-L1509 HydrophobicContact CD2-CG 4.11Å; L1377-L1509 HydrophobicContact CG-CD1 3.83Å; L1377-L1509 HydrophobicContact CG-CD2 4.15Å; L1377-L1509 HydrophobicContact CG-CG 4.41Å; L1377-L1642 HydrophobicContact CD2-CD2 4.16Å |
| 1378 | C | 87 | Confident | 80.4 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | L1374 S1375 L1381 E1382 L1657 | L1374-C1378 PolarHBondContact O-N 3.14Å; L1374-C1378 PolarHBondContact O-SG 3.21Å; S1375-C1378 PolarHBondContact O-N 3.25Å; C1378-L1381 PolarHBondContact O-N 3.16Å; C1378-E1382 WeakPolarHBondContact O-CG 3.39Å; C1378-E1382 PolarHBondContact O-N 3.31Å; C1378-L1657 HydrophobicContact CB-CD2 4.03Å |
| 1379 | S | 83.8 | Confident | 81.7 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | S1375 L1377 T1383 | S1375-S1379 PolarHBondContact O-N 3.05Å; S1375-S1379 VanDerWaalsContact O-N 3.08Å; L1377-S1379 VanDerWaalsContact C-N 3.28Å; L1377-S1379 PolarHBondContact O-N 3.24Å; S1379-T1383 WeakPolarHBondContact O-CB 3.42Å; S1379-T1383 PolarHBondContact O-N 3.48Å; S1379-T1383 PolarHBondContact O-OG1 2.99Å |
| 1380 | L | 82.7 | Confident | 83 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.5 | 176 | 60.5 | 0 | 0 | 0 | 112.4 | S1376 L1377 T1383 C1384 I1502 L1505 I1506 | S1376-L1380 PolarHBondContact O-N 3.03Å; S1376-L1380 VanDerWaalsContact O-N 3.1Å; L1377-L1380 CarbonylContact O-C 3.56Å; L1377-L1380 PolarHBondContact O-N 3.21Å; L1377-L1380 VanDerWaalsContact O-N 3.17Å; L1380-T1383 WeakPolarHBondContact O-CB 3.38Å; L1380-T1383 PolarHBondContact O-N 3.3Å; L1380-C1384 PolarHBondContact O-N 3.24Å; L1380-C1384 PolarHBondContact O-SG 3.5Å; L1380-I1502 HydrophobicContact CD1-CB 4.48Å; L1380-I1502 HydrophobicContact CD1-CD1 4.02Å; L1380-I1502 HydrophobicContact CD1-CG1 3.76Å; L1380-I1502 HydrophobicContact CD1-CG2 4.19Å; L1380-I1502 HydrophobicContact CD2-CB 4.43Å; L1380-I1502 HydrophobicContact CD2-CG1 4.42Å; L1380-I1502 HydrophobicContact CD2-CG2 4.08Å; L1380-L1505 HydrophobicContact CB-CD2 4.27Å; L1380-L1505 HydrophobicContact CD2-CB 4.4Å; L1380-L1505 HydrophobicContact CD2-CD2 3.78Å; L1380-I1506 HydrophobicContact CD2-CD1 4.12Å; L1380-I1506 HydrophobicContact CD2-CG1 3.98Å |
| 1381 | L | 87.5 | Confident | 84 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 179.8 | -74.2 | 178.9 | 0 | 0 | 0 | 112 | L1377 C1378 T1383 C1384 L1385 I1418 L1642 L1657 | L1377-L1381 HydrophobicContact CD2-CD1 3.5Å; L1377-L1381 HydrophobicContact CD2-CG 4.06Å; L1377-L1381 HydrophobicContact CG-CD1 4.12Å; L1377-L1381 HydrophobicContact CG-CG 4.11Å; L1377-L1381 WeakPolarHBondContact O-CB 3.2Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3Å; C1378-L1381 PolarHBondContact O-N 3.16Å; L1381-T1383 VanDerWaalsContact C-N 3.31Å; L1381-T1383 PolarHBondContact O-N 3.41Å; L1381-C1384 PolarHBondContact O-N 3.09Å; L1381-L1385 WeakPolarHBondContact O-CB 3.19Å; L1381-L1385 VanDerWaalsContact O-CG 3.25Å; L1381-L1385 WeakPolarHBondContact O-CG 3.44Å; L1381-L1385 PolarHBondContact O-N 2.62Å; L1381-I1418 HydrophobicContact CD2-CD1 4.15Å; L1381-I1418 HydrophobicContact CD2-CG2 3.88Å; L1381-L1642 HydrophobicContact CD1-CD1 3.55Å; L1381-L1642 HydrophobicContact CD1-CD2 4.1Å; L1381-L1642 HydrophobicContact CD1-CG 4.47Å; L1381-L1657 HydrophobicContact CB-CD1 4.14Å; L1381-L1657 HydrophobicContact CB-CD2 4.08Å; L1381-L1657 HydrophobicContact CD1-CD1 4.32Å; L1381-L1657 HydrophobicContact CD1-CD2 4.29Å |
| 1382 | E | 88.2 | Confident | 84.5 | Confident | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 168.8 | -76.2 | -179.8 | -146.3 | 0 | 0 | 110.8 | S184 C1378 C1384 L1385 F1386 S1655 L1657 | S184-E1382 WeakPolarHBondContact CB-OE2 3.4Å; S184-E1382 PolarHBondContact OG-OE2 2.94Å; C1378-E1382 WeakPolarHBondContact O-CG 3.39Å; C1378-E1382 PolarHBondContact O-N 3.31Å; E1382-C1384 PolarHBondContact O-N 3.05Å; E1382-L1385 WeakPolarHBondContact O-CB 3.5Å; E1382-L1385 PolarHBondContact O-N 3.3Å; E1382-F1386 VanDerWaalsContact O-CD2 3.23Å; E1382-F1386 WeakPolarHBondContact O-CD2 3.25Å; E1382-F1386 PolarHBondContact O-N 2.74Å; E1382-S1655 WeakPolarHBondContact OE1-CB 3.39Å; E1382-L1657 HydrophobicContact CG-CB 3.79Å |
| 1383 | T | 85.2 | Confident | 84.9 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 112 | S1379 L1380 L1381 F1386 Y1387 | S1379-T1383 WeakPolarHBondContact O-CB 3.42Å; S1379-T1383 PolarHBondContact O-N 3.48Å; S1379-T1383 PolarHBondContact O-OG1 2.99Å; L1380-T1383 WeakPolarHBondContact O-CB 3.38Å; L1380-T1383 PolarHBondContact O-N 3.3Å; L1381-T1383 VanDerWaalsContact C-N 3.31Å; L1381-T1383 PolarHBondContact O-N 3.41Å; T1383-F1386 PolarHBondContact O-N 3.31Å; T1383-Y1387 HydrophobicContact CG2-CD2 3.99Å; T1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; T1383-Y1387 VanDerWaalsContact O-CD2 3.24Å; T1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; T1383-Y1387 PolarHBondContact O-N 3.39Å; T1383-Y1387 VanDerWaalsContact O-N 3.13Å |
| 1384 | C | 85.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | L1380 L1381 E1382 Y1387 L1388 I1418 | L1380-C1384 PolarHBondContact O-N 3.24Å; L1380-C1384 PolarHBondContact O-SG 3.5Å; L1381-C1384 PolarHBondContact O-N 3.09Å; E1382-C1384 PolarHBondContact O-N 3.05Å; C1384-Y1387 PolarHBondContact O-N 3.39Å; C1384-L1388 VanDerWaalsContact O-CB 3.32Å; C1384-L1388 WeakPolarHBondContact O-CB 3.38Å; C1384-L1388 PolarHBondContact O-N 3.31Å; C1384-I1418 HydrophobicContact CB-CD1 3.75Å; C1384-I1418 HydrophobicContact CB-CG1 4.09Å |
| 1385 | L | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -38.3 | 174.4 | -77.4 | 168.6 | 0 | 0 | 0 | 111.9 | L1381 E1382 L1388 V1389 W1414 I1418 L1656 L1657 M1660 | L1381-L1385 WeakPolarHBondContact O-CB 3.19Å; L1381-L1385 VanDerWaalsContact O-CG 3.25Å; L1381-L1385 WeakPolarHBondContact O-CG 3.44Å; L1381-L1385 PolarHBondContact O-N 2.62Å; E1382-L1385 WeakPolarHBondContact O-CB 3.5Å; E1382-L1385 PolarHBondContact O-N 3.3Å; L1385-L1388 HydrophobicContact CD2-CD2 4.39Å; L1385-L1388 PolarHBondContact O-N 2.67Å; L1385-V1389 WeakPolarHBondContact O-CG2 3.33Å; L1385-V1389 PolarHBondContact O-N 2.63Å; L1385-W1414 HydrophobicContact CD2-CB 3.76Å; L1385-W1414 HydrophobicContact CD2-CD2 4Å; L1385-W1414 HydrophobicContact CD2-CE3 3.83Å; L1385-W1414 HydrophobicContact CD2-CG 4.01Å; L1385-W1414 HydrophobicContact CG-CE3 4.48Å; L1385-I1418 HydrophobicContact CD2-CD1 4.2Å; L1385-I1418 HydrophobicContact CG-CD1 4.14Å; L1385-L1656 HydrophobicContact CB-CD2 3.78Å; L1385-L1656 HydrophobicContact CB-CG 4.27Å; L1385-L1656 HydrophobicContact CD1-CG 4.44Å; L1385-L1657 HydrophobicContact CD1-CB 4.17Å; L1385-L1657 HydrophobicContact CD1-CD1 3.84Å; L1385-M1660 HydrophobicContact CD1-CB 4.31Å; L1385-M1660 HydrophobicContact CD1-CG 4.02Å; L1385-M1660 HydrophobicContact CD2-CG 4.05Å |
| 1386 | F | 87.7 | Confident | 85.6 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 172.2 | -82.5 | -71.1 | 0 | 0 | 0 | 111.7 | S183 E1382 T1383 L1388 V1389 D1390 L1656 | S183-F1386 WeakPolarHBondContact OG-CZ 3.22Å; E1382-F1386 VanDerWaalsContact O-CD2 3.23Å; E1382-F1386 WeakPolarHBondContact O-CD2 3.25Å; E1382-F1386 PolarHBondContact O-N 2.74Å; T1383-F1386 PolarHBondContact O-N 3.31Å; F1386-L1388 VanDerWaalsContact C-N 3.27Å; F1386-L1388 PolarHBondContact O-N 3.49Å; F1386-V1389 PolarHBondContact O-N 3.26Å; F1386-V1389 VanDerWaalsContact O-N 3.14Å; F1386-D1390 PolarHBondContact O-N 3.36Å; F1386-L1656 HydrophobicContact CD1-CD2 4.16Å; F1386-L1656 HydrophobicContact CD2-CD2 3.91Å; F1386-L1656 HydrophobicContact CE1-CD2 3.94Å; F1386-L1656 HydrophobicContact CE2-CB 4.22Å; F1386-L1656 HydrophobicContact CE2-CD2 3.66Å; F1386-L1656 HydrophobicContact CG-CD2 4.12Å; F1386-L1656 HydrophobicContact CZ-CB 4.3Å; F1386-L1656 HydrophobicContact CZ-CD2 3.64Å |
| 1387 | Y | 85.5 | Confident | 85.7 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.9 | -33.9 | 175.9 | -73.7 | -59.9 | 0 | 0 | 0 | 113.3 | T1383 C1384 W1391 | T1383-Y1387 HydrophobicContact CG2-CD2 3.99Å; T1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; T1383-Y1387 VanDerWaalsContact O-CD2 3.24Å; T1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; T1383-Y1387 PolarHBondContact O-N 3.39Å; T1383-Y1387 VanDerWaalsContact O-N 3.13Å; C1384-Y1387 PolarHBondContact O-N 3.39Å; Y1387-W1391 VanDerWaalsContact O-CB 3.27Å; Y1387-W1391 WeakPolarHBondContact O-CB 3.41Å; Y1387-W1391 PolarHBondContact O-N 2.9Å |
| 1388 | L | 88.5 | Confident | 85.9 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 174.2 | 179.1 | 64.7 | 0 | 0 | 0 | 111.8 | C1384 L1385 F1386 W1391 M1392 L1410 W1414 I1417 | C1384-L1388 VanDerWaalsContact O-CB 3.32Å; C1384-L1388 WeakPolarHBondContact O-CB 3.38Å; C1384-L1388 PolarHBondContact O-N 3.31Å; L1385-L1388 HydrophobicContact CD2-CD2 4.39Å; L1385-L1388 PolarHBondContact O-N 2.67Å; F1386-L1388 VanDerWaalsContact C-N 3.27Å; F1386-L1388 PolarHBondContact O-N 3.49Å; L1388-W1391 HydrophobicContact CD1-CE3 4.1Å; L1388-W1391 HydrophobicContact CD1-CZ3 4.42Å; L1388-M1392 VanDerWaalsContact O-CG 3.32Å; L1388-M1392 WeakPolarHBondContact O-CG 3.07Å; L1388-M1392 PolarHBondContact O-N 3.37Å; L1388-L1410 HydrophobicContact CD2-CD1 3.58Å; L1388-L1410 HydrophobicContact CG-CD1 4.12Å; L1388-W1414 HydrophobicContact CD2-CB 3.76Å; L1388-I1417 HydrophobicContact CD1-CB 4.12Å; L1388-I1417 HydrophobicContact CD1-CD1 4.03Å; L1388-I1417 HydrophobicContact CD1-CG2 3.59Å |
| 1389 | V | 88.1 | Confident | 85.7 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L1385 F1386 W1391 M1392 A1393 L1410 | L1385-V1389 WeakPolarHBondContact O-CG2 3.33Å; L1385-V1389 PolarHBondContact O-N 2.63Å; F1386-V1389 PolarHBondContact O-N 3.26Å; F1386-V1389 VanDerWaalsContact O-N 3.14Å; V1389-W1391 PolarHBondContact O-N 2.68Å; V1389-M1392 HydrophobicContact CG2-CE 4.49Å; V1389-M1392 PolarHBondContact O-N 3.45Å; V1389-A1393 PolarHBondContact O-N 3.13Å; V1389-L1410 HydrophobicContact CG2-CD2 3.71Å |
| 1390 | D | 86.5 | Confident | 85.8 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 179.2 | -73.4 | -15.4 | 0 | 0 | 0 | 111.9 | F1386 A1393 Q1394 | F1386-D1390 PolarHBondContact O-N 3.36Å; D1390-A1393 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-NE2 3.39Å |
| 1391 | W | 86.8 | Confident | 85.9 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 173.4 | 173.7 | 66 | 0 | 0 | 0 | 111.3 | F1211 Y1387 L1388 V1389 A1393 Q1394 I1395 K1552 F1553 L1556 | F1211-W1391 HydrophobicContact CD1-CB 4.14Å; F1211-W1391 AromaticContact CD1-CD1 3.68Å; F1211-W1391 AromaticContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CE1-CG 4.42Å; Y1387-W1391 VanDerWaalsContact O-CB 3.27Å; Y1387-W1391 WeakPolarHBondContact O-CB 3.41Å; Y1387-W1391 PolarHBondContact O-N 2.9Å; L1388-W1391 HydrophobicContact CD1-CE3 4.1Å; L1388-W1391 HydrophobicContact CD1-CZ3 4.42Å; V1389-W1391 PolarHBondContact O-N 2.68Å; W1391-A1393 VanDerWaalsContact C-N 3.31Å; W1391-A1393 PolarHBondContact O-N 3.49Å; W1391-Q1394 WeakPolarHBondContact O-CB 3.38Å; W1391-Q1394 PolarHBondContact O-N 3.28Å; W1391-Q1394 VanDerWaalsContact O-N 3.11Å; W1391-I1395 HydrophobicContact CD2-CD1 4.14Å; W1391-I1395 HydrophobicContact CE3-CD1 4.05Å; W1391-I1395 HydrophobicContact CH2-CD1 3.82Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.89Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.9Å; W1391-I1395 PolarHBondContact O-N 3.41Å; W1391-K1552 HydrophobicContact CH2-CB 4.25Å; W1391-F1553 HydrophobicContact CH2-CD2 4.38Å; W1391-F1553 HydrophobicContact CH2-CE1 4.42Å; W1391-F1553 HydrophobicContact CH2-CE2 4.23Å; W1391-F1553 HydrophobicContact CH2-CZ 4.24Å; W1391-F1553 HydrophobicContact CZ2-CD2 4.23Å; W1391-F1553 HydrophobicContact CZ2-CE1 4.37Å; W1391-F1553 AromaticContact CZ2-CE2 3.7Å; W1391-F1553 HydrophobicContact CZ2-CE2 3.7Å; W1391-F1553 AromaticContact CZ2-CZ 3.77Å; W1391-F1553 HydrophobicContact CZ2-CZ 3.77Å; W1391-L1556 HydrophobicContact CH2-CD2 4.46Å; W1391-L1556 HydrophobicContact CZ3-CD2 4.02Å |
| 1392 | M | 86.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 179 | -71.8 | -172 | -48.6 | 0 | 0 | 113.6 | L1388 V1389 Q1394 I1395 F1398 L1410 L1556 | L1388-M1392 VanDerWaalsContact O-CG 3.32Å; L1388-M1392 WeakPolarHBondContact O-CG 3.07Å; L1388-M1392 PolarHBondContact O-N 3.37Å; V1389-M1392 HydrophobicContact CG2-CE 4.49Å; V1389-M1392 PolarHBondContact O-N 3.45Å; M1392-Q1394 PolarHBondContact O-N 3.01Å; M1392-I1395 HydrophobicContact CB-CD1 4.38Å; M1392-I1395 HydrophobicContact CG-CD1 4.2Å; M1392-I1395 WeakPolarHBondContact O-CB 3.42Å; M1392-I1395 PolarHBondContact O-N 3.26Å; M1392-I1395 VanDerWaalsContact O-N 3.15Å; M1392-F1398 HydrophobicContact CB-CD1 3.91Å; M1392-F1398 HydrophobicContact CB-CE1 3.79Å; M1392-F1398 HydrophobicContact CB-CG 4.49Å; M1392-F1398 HydrophobicContact CB-CZ 4.28Å; M1392-F1398 HydrophobicContact CE-CE1 4.25Å; M1392-F1398 HydrophobicContact CE-CZ 4.1Å; M1392-F1398 WeakPolarHBondContact O-CD1 3.4Å; M1392-F1398 HydrophobicContact SD-CE1 4.2Å; M1392-F1398 HydrophobicContact SD-CE2 4.17Å; M1392-F1398 HydrophobicContact SD-CZ 3.76Å; M1392-L1410 HydrophobicContact CE-CB 3.94Å; M1392-L1410 HydrophobicContact CE-CD1 3.67Å; M1392-L1410 HydrophobicContact CE-CD2 3.82Å; M1392-L1410 HydrophobicContact CE-CG 3.98Å; M1392-L1410 HydrophobicContact SD-CD1 4.49Å; M1392-L1556 HydrophobicContact CG-CD2 3.84Å; M1392-L1556 HydrophobicContact SD-CD1 3.5Å; M1392-L1556 WeakPolarHBondContact SD-CD1 3.27Å; M1392-L1556 HydrophobicContact SD-CD2 3.75Å; M1392-L1556 HydrophobicContact SD-CG 4.3Å |
| 1393 | A | 83.4 | Confident | 85.8 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -27.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1389 D1390 W1391 | V1389-A1393 PolarHBondContact O-N 3.13Å; D1390-A1393 PolarHBondContact O-N 3.46Å; W1391-A1393 VanDerWaalsContact C-N 3.31Å; W1391-A1393 PolarHBondContact O-N 3.49Å |
| 1394 | Q | 85.8 | Confident | 85.7 | Confident | 102 Ų | 102 | 53 Ų | 53 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.8 | -20.5 | 176.7 | -66.8 | 163.1 | 70.8 | 0 | 0 | 113 | D1390 W1391 M1392 E1396 | D1390-Q1394 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-NE2 3.39Å; W1391-Q1394 WeakPolarHBondContact O-CB 3.38Å; W1391-Q1394 PolarHBondContact O-N 3.28Å; W1391-Q1394 VanDerWaalsContact O-N 3.11Å; M1392-Q1394 PolarHBondContact O-N 3.01Å; Q1394-E1396 PolarHBondContact O-N 3.42Å; Q1394-E1396 VanDerWaalsContact O-N 3.16Å |
| 1395 | I | 85.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | trans | -69.8 | 111.6 | -179.1 | -58.8 | 170 | 0 | 0 | 0 | 110 | W1391 M1392 S1397 F1398 K1399 F1553 L1556 | W1391-I1395 HydrophobicContact CD2-CD1 4.14Å; W1391-I1395 HydrophobicContact CE3-CD1 4.05Å; W1391-I1395 HydrophobicContact CH2-CD1 3.82Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.89Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.9Å; W1391-I1395 PolarHBondContact O-N 3.41Å; M1392-I1395 HydrophobicContact CB-CD1 4.38Å; M1392-I1395 HydrophobicContact CG-CD1 4.2Å; M1392-I1395 WeakPolarHBondContact O-CB 3.42Å; M1392-I1395 PolarHBondContact O-N 3.26Å; M1392-I1395 VanDerWaalsContact O-N 3.15Å; I1395-S1397 VanDerWaalsContact C-N 3.31Å; I1395-S1397 PolarHBondContact O-N 3.23Å; I1395-F1398 HydrophobicContact CB-CB 3.75Å; I1395-F1398 HydrophobicContact CG2-CB 3.87Å; I1395-F1398 WeakPolarHBondContact O-CA 3.32Å; I1395-F1398 WeakPolarHBondContact O-CB 3.36Å; I1395-F1398 PolarHBondContact O-N 3.32Å; I1395-K1399 PolarHBondContact O-N 3.44Å; I1395-K1399 VanDerWaalsContact O-N 3.15Å; I1395-F1553 HydrophobicContact CD1-CE1 3.67Å; I1395-F1553 HydrophobicContact CD1-CZ 3.97Å; I1395-F1553 HydrophobicContact CG1-CE1 4.11Å; I1395-F1553 HydrophobicContact CG1-CZ 4.1Å; I1395-F1553 HydrophobicContact CG2-CE1 3.76Å; I1395-F1553 HydrophobicContact CG2-CZ 4.27Å; I1395-L1556 HydrophobicContact CD1-CD2 4.08Å | ||
| 1396 | E | 83.9 | Confident | 85.7 | Confident | 99 Ų | 99 | 53.9 Ų | 53.9 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.2 | -46.4 | 177.3 | -163.5 | 57.7 | -130 | 0 | 0 | 112.6 | Q1394 F1398 K1399 | Q1394-E1396 PolarHBondContact O-N 3.42Å; Q1394-E1396 VanDerWaalsContact O-N 3.16Å; E1396-F1398 PolarHBondContact O-N 3.06Å; E1396-F1398 VanDerWaalsContact O-N 3.08Å; E1396-K1399 WeakPolarHBondContact O-CB 3.2Å; E1396-K1399 PolarHBondContact O-N 2.92Å; E1396-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 IonicContact OE1-NZ 3.08Å; E1396-K1399 WeakPolarHBondContact OE2-CE 3.36Å; E1396-K1399 IonicContact OE2-NZ 2.78Å; E1396-K1399 PolarHBondContact OE2-NZ 3.02Å |
| 1397 | S | 80.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -14.1 | 174.9 | -47 | 0 | 0 | 0 | 0 | 114.8 | I1395 Y1572 I1576 | I1395-S1397 VanDerWaalsContact C-N 3.31Å; I1395-S1397 PolarHBondContact O-N 3.23Å; S1397-Y1572 WeakPolarHBondContact O-CE1 3.44Å; S1397-Y1572 PolarHBondContact O-OH 3.42Å; S1397-I1576 WeakPolarHBondContact O-CD1 3.48Å |
| 1398 | F | 84 | Confident | 85.6 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -96.5 | -32.3 | 177.2 | -161.2 | -109.1 | 0 | 0 | 0 | 110.8 | M1392 I1395 E1396 V1400 L1401 K1406 L1409 L1556 F1557 | M1392-F1398 HydrophobicContact CB-CD1 3.91Å; M1392-F1398 HydrophobicContact CB-CE1 3.79Å; M1392-F1398 HydrophobicContact CB-CG 4.49Å; M1392-F1398 HydrophobicContact CB-CZ 4.28Å; M1392-F1398 HydrophobicContact CE-CE1 4.25Å; M1392-F1398 HydrophobicContact CE-CZ 4.1Å; M1392-F1398 WeakPolarHBondContact O-CD1 3.4Å; M1392-F1398 HydrophobicContact SD-CE1 4.2Å; M1392-F1398 HydrophobicContact SD-CE2 4.17Å; M1392-F1398 HydrophobicContact SD-CZ 3.76Å; I1395-F1398 HydrophobicContact CB-CB 3.75Å; I1395-F1398 HydrophobicContact CG2-CB 3.87Å; I1395-F1398 WeakPolarHBondContact O-CA 3.32Å; I1395-F1398 WeakPolarHBondContact O-CB 3.36Å; I1395-F1398 PolarHBondContact O-N 3.32Å; E1396-F1398 PolarHBondContact O-N 3.06Å; E1396-F1398 VanDerWaalsContact O-N 3.08Å; F1398-V1400 PolarHBondContact O-N 3.48Å; F1398-V1400 VanDerWaalsContact O-N 3.16Å; F1398-L1401 HydrophobicContact CD2-CD1 3.92Å; F1398-L1401 HydrophobicContact CE2-CD1 4.19Å; F1398-L1401 PolarHBondContact O-N 3.26Å; F1398-L1401 VanDerWaalsContact O-N 3.08Å; F1398-K1406 HydrophobicContact CD1-CD 4.27Å; F1398-K1406 HydrophobicContact CD1-CG 3.98Å; F1398-K1406 HydrophobicContact CE1-CB 3.73Å; F1398-K1406 HydrophobicContact CE1-CD 4.08Å; F1398-K1406 HydrophobicContact CE1-CG 3.57Å; F1398-K1406 HydrophobicContact CE2-CB 4.44Å; F1398-K1406 HydrophobicContact CE2-CG 4.3Å; F1398-K1406 HydrophobicContact CZ-CB 3.64Å; F1398-K1406 HydrophobicContact CZ-CG 3.77Å; F1398-K1406 WeakPolarHBondContact O-CE 3.25Å; F1398-L1409 HydrophobicContact CE2-CB 4.47Å; F1398-L1409 HydrophobicContact CE2-CD1 4.23Å; F1398-L1556 HydrophobicContact CE2-CD1 4.4Å; F1398-L1556 HydrophobicContact CE2-CD2 4.48Å; F1398-F1557 HydrophobicContact CB-CZ 4.4Å; F1398-F1557 HydrophobicContact CD2-CE1 4.3Å; F1398-F1557 AromaticContact CD2-CZ 3.84Å; F1398-F1557 HydrophobicContact CD2-CZ 3.84Å |
| 1399 | K | 84.4 | Confident | 85.6 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 46% | 0.457 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.8 | -39.8 | 178.9 | -65.3 | 179.3 | -169.9 | 168.8 | 0 | 112.9 | I1395 E1396 L1401 K1406 | I1395-K1399 PolarHBondContact O-N 3.44Å; I1395-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 WeakPolarHBondContact O-CB 3.2Å; E1396-K1399 PolarHBondContact O-N 2.92Å; E1396-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 IonicContact OE1-NZ 3.08Å; E1396-K1399 WeakPolarHBondContact OE2-CE 3.36Å; E1396-K1399 IonicContact OE2-NZ 2.78Å; E1396-K1399 PolarHBondContact OE2-NZ 3.02Å; K1399-L1401 VanDerWaalsContact C-N 3.31Å; K1399-L1401 PolarHBondContact O-N 3.12Å; K1399-K1406 PolarHBondContact O-NZ 3.04Å |
| 1400 | V | 85.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23 | -178.1 | -175.6 | 0 | 0 | 0 | 0 | 114.1 | F1398 Y1572 | F1398-V1400 PolarHBondContact O-N 3.48Å; F1398-V1400 VanDerWaalsContact O-N 3.16Å; V1400-Y1572 HydrophobicContact CB-CE1 4.2Å; V1400-Y1572 WeakPolarHBondContact CB-OH 3.3Å; V1400-Y1572 HydrophobicContact CG1-CE1 4.4Å; V1400-Y1572 HydrophobicContact CG1-CE2 4.43Å |
| 1401 | L | 85 | Confident | 85.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -71.5 | 147.2 | -179.7 | -72.2 | 173.7 | 0 | 0 | 0 | 112.3 | F1398 K1399 D1405 K1406 L1409 F1557 N1569 Y1572 | F1398-L1401 HydrophobicContact CD2-CD1 3.92Å; F1398-L1401 HydrophobicContact CE2-CD1 4.19Å; F1398-L1401 PolarHBondContact O-N 3.26Å; F1398-L1401 VanDerWaalsContact O-N 3.08Å; K1399-L1401 VanDerWaalsContact C-N 3.31Å; K1399-L1401 PolarHBondContact O-N 3.12Å; L1401-D1405 HydrophobicContact CB-CB 4.46Å; L1401-D1405 HydrophobicContact CD2-CB 4.32Å; L1401-K1406 HydrophobicContact CB-CG 3.76Å; L1401-K1406 WeakPolarHBondContact O-CE 3.19Å; L1401-K1406 PolarHBondContact O-NZ 3.15Å; L1401-L1409 HydrophobicContact CD1-CD1 3.68Å; L1401-F1557 HydrophobicContact CD1-CE1 4.08Å; L1401-N1569 HydrophobicContact CD2-CB 3.57Å; L1401-Y1572 HydrophobicContact CD2-CD1 3.79Å; L1401-Y1572 HydrophobicContact CD2-CE1 4.19Å; L1401-Y1572 HydrophobicContact CG-CD1 4.32Å; L1401-Y1572 HydrophobicContact CG-CE1 4.23Å |
| 1402 | P | 86.8 | Confident | 85.6 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 29% | 0.286 | 23% | 0.229 | S | C | . | . | trans | -65.8 | 157.1 | 169.5 | 30.6 | -35.9 | 0 | 0 | 0 | 110.8 | E1404 D1405 K1406 | P1402-E1404 VanDerWaalsContact C-N 3.25Å; P1402-E1404 PolarHBondContact O-N 3.21Å; P1402-D1405 HydrophobicContact CG-CB 3.78Å; P1402-D1405 PolarHBondContact O-N 2.9Å; P1402-K1406 WeakPolarHBondContact O-CG 3.34Å; P1402-K1406 PolarHBondContact O-N 3.16Å | ||
| 1403 | V | 85.7 | Confident | 85.8 | Confident | 100 Ų | 100 | 42 Ų | 42 | 61% | 0.606 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.3 | -34.1 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | M1407 | V1403-M1407 WeakPolarHBondContact O-CG 3.28Å; V1403-M1407 PolarHBondContact O-N 3.12Å |
| 1404 | E | 83.5 | Confident | 86.2 | Confident | 78 Ų | 78 | 39 Ų | 39 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -51.7 | 175.8 | -175.7 | 54.2 | -148.2 | 0 | 0 | 111.3 | P1402 K1406 M1407 Q1408 T1567 R1667 | P1402-E1404 VanDerWaalsContact C-N 3.25Å; P1402-E1404 PolarHBondContact O-N 3.21Å; E1404-K1406 VanDerWaalsContact C-N 3.29Å; E1404-K1406 PolarHBondContact O-N 2.71Å; E1404-M1407 PolarHBondContact O-N 2.91Å; E1404-Q1408 WeakPolarHBondContact O-CG 3.41Å; E1404-Q1408 PolarHBondContact O-N 2.81Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.35Å; E1404-T1567 HydrophobicContact CB-CG2 4.34Å; E1404-T1567 HydrophobicContact CG-CG2 3.75Å; E1404-R1667 IonicContact OE1-NH2 3.87Å |
| 1405 | D | 87.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 177.2 | -69 | 11.4 | 0 | 0 | 0 | 111.5 | L1401 P1402 M1407 Q1408 L1409 L1566 T1567 S1568 N1569 | L1401-D1405 HydrophobicContact CB-CB 4.46Å; L1401-D1405 HydrophobicContact CD2-CB 4.32Å; P1402-D1405 HydrophobicContact CG-CB 3.78Å; P1402-D1405 PolarHBondContact O-N 2.9Å; D1405-M1407 PolarHBondContact O-N 2.9Å; D1405-Q1408 PolarHBondContact O-N 3.44Å; D1405-L1409 WeakPolarHBondContact O-CG 3.36Å; D1405-L1409 PolarHBondContact O-N 3Å; D1405-L1566 HydrophobicContact CB-CD2 3.95Å; D1405-T1567 WeakPolarHBondContact OD1-CB 3.4Å; D1405-T1567 PolarHBondContact OD1-N 3.44Å; D1405-T1567 PolarHBondContact OD1-OG1 3.02Å; D1405-S1568 PolarHBondContact OD2-N 3.2Å; D1405-N1569 PolarHBondContact OD2-N 3.15Å |
| 1406 | K | 87.7 | Confident | 86.8 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 22% | 0.222 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 172.8 | -71.4 | 171.2 | 170.3 | 143.1 | 0 | 111.9 | F1398 K1399 L1401 P1402 E1404 L1410 | F1398-K1406 HydrophobicContact CD1-CD 4.27Å; F1398-K1406 HydrophobicContact CD1-CG 3.98Å; F1398-K1406 HydrophobicContact CE1-CB 3.73Å; F1398-K1406 HydrophobicContact CE1-CD 4.08Å; F1398-K1406 HydrophobicContact CE1-CG 3.57Å; F1398-K1406 HydrophobicContact CE2-CB 4.44Å; F1398-K1406 HydrophobicContact CE2-CG 4.3Å; F1398-K1406 HydrophobicContact CZ-CB 3.64Å; F1398-K1406 HydrophobicContact CZ-CG 3.77Å; F1398-K1406 WeakPolarHBondContact O-CE 3.25Å; K1399-K1406 PolarHBondContact O-NZ 3.04Å; L1401-K1406 HydrophobicContact CB-CG 3.76Å; L1401-K1406 WeakPolarHBondContact O-CE 3.19Å; L1401-K1406 PolarHBondContact O-NZ 3.15Å; P1402-K1406 WeakPolarHBondContact O-CG 3.34Å; P1402-K1406 PolarHBondContact O-N 3.16Å; E1404-K1406 VanDerWaalsContact C-N 3.29Å; E1404-K1406 PolarHBondContact O-N 2.71Å; K1406-L1410 WeakPolarHBondContact O-CB 3.49Å; K1406-L1410 PolarHBondContact O-N 3.1Å; K1406-L1410 VanDerWaalsContact O-N 3.16Å |
| 1407 | M | 86.4 | Confident | 87.2 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -36.5 | 178.2 | -72.3 | -164.2 | 74 | 0 | 0 | 112.4 | R180 V1403 E1404 D1405 L1410 N1411 | R180-M1407 PolarHBondContact NH1-SD 3.4Å; V1403-M1407 WeakPolarHBondContact O-CG 3.28Å; V1403-M1407 PolarHBondContact O-N 3.12Å; E1404-M1407 PolarHBondContact O-N 2.91Å; D1405-M1407 PolarHBondContact O-N 2.9Å; M1407-L1410 PolarHBondContact O-N 3.14Å; M1407-N1411 VanDerWaalsContact O-CB 3.26Å; M1407-N1411 WeakPolarHBondContact O-CB 3.31Å; M1407-N1411 PolarHBondContact O-N 3.34Å; M1407-N1411 PolarHBondContact O-ND2 3.45Å; M1407-N1411 PolarHBondContact O-OD1 3.5Å |
| 1408 | Q | 86 | Confident | 87.7 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 177.7 | -68 | -162.6 | 35.4 | 0 | 0 | 112.6 | E1404 D1405 S1412 T1564 F1565 L1566 R1667 | E1404-Q1408 WeakPolarHBondContact O-CG 3.41Å; E1404-Q1408 PolarHBondContact O-N 2.81Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.35Å; D1405-Q1408 PolarHBondContact O-N 3.44Å; Q1408-S1412 WeakPolarHBondContact O-CB 3.47Å; Q1408-S1412 PolarHBondContact O-N 2.98Å; Q1408-T1564 HydrophobicContact CB-CG2 4.38Å; Q1408-F1565 PolarHBondContact NE2-O 3.13Å; Q1408-F1565 VanDerWaalsContact NE2-O 3.17Å; Q1408-F1565 VanDerWaalsContact OE1-C 3.28Å; Q1408-F1565 PolarHBondContact OE1-O 3.47Å; Q1408-F1565 VanDerWaalsContact OE1-O 3.04Å; Q1408-L1566 HydrophobicContact CB-CD2 4.12Å; Q1408-R1667 VanDerWaalsContact CD-NH1 3.3Å |
| 1409 | L | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.4 | -66.1 | -179.6 | 0 | 0 | 0 | 111.8 | F1398 L1401 D1405 S1412 S1413 L1556 F1557 L1566 | F1398-L1409 HydrophobicContact CE2-CB 4.47Å; F1398-L1409 HydrophobicContact CE2-CD1 4.23Å; L1401-L1409 HydrophobicContact CD1-CD1 3.68Å; D1405-L1409 WeakPolarHBondContact O-CG 3.36Å; D1405-L1409 PolarHBondContact O-N 3Å; L1409-S1412 PolarHBondContact O-OG 3.4Å; L1409-S1413 VanDerWaalsContact O-CB 3.31Å; L1409-S1413 WeakPolarHBondContact O-CB 3.31Å; L1409-S1413 PolarHBondContact O-N 2.91Å; L1409-S1413 VanDerWaalsContact O-N 3.11Å; L1409-S1413 PolarHBondContact O-OG 3.01Å; L1409-L1556 HydrophobicContact CB-CD1 4.1Å; L1409-L1556 WeakPolarHBondContact CD2-O 3.16Å; L1409-F1557 HydrophobicContact CD1-CD1 4.14Å; L1409-F1557 HydrophobicContact CD1-CE1 4.33Å; L1409-L1566 HydrophobicContact CD2-CD1 4.26Å; L1409-L1566 HydrophobicContact CD2-CD2 4.02Å; L1409-L1566 HydrophobicContact CG-CD2 4.11Å |
| 1410 | L | 89.2 | Confident | 88.3 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -54.4 | 175.1 | 174.4 | 53.1 | 0 | 0 | 0 | 112 | L1388 V1389 M1392 K1406 M1407 S1412 S1413 W1414 M1660 | L1388-L1410 HydrophobicContact CD2-CD1 3.58Å; L1388-L1410 HydrophobicContact CG-CD1 4.12Å; V1389-L1410 HydrophobicContact CG2-CD2 3.71Å; M1392-L1410 HydrophobicContact CE-CB 3.94Å; M1392-L1410 HydrophobicContact CE-CD1 3.67Å; M1392-L1410 HydrophobicContact CE-CD2 3.82Å; M1392-L1410 HydrophobicContact CE-CG 3.98Å; M1392-L1410 HydrophobicContact SD-CD1 4.49Å; K1406-L1410 WeakPolarHBondContact O-CB 3.49Å; K1406-L1410 PolarHBondContact O-N 3.1Å; K1406-L1410 VanDerWaalsContact O-N 3.16Å; M1407-L1410 PolarHBondContact O-N 3.14Å; L1410-S1412 PolarHBondContact O-N 2.92Å; L1410-S1413 PolarHBondContact O-N 3.29Å; L1410-S1413 VanDerWaalsContact O-N 3.12Å; L1410-W1414 HydrophobicContact CD1-CB 4.01Å; L1410-W1414 WeakPolarHBondContact O-CB 3.48Å; L1410-W1414 PolarHBondContact O-N 3.3Å; L1410-M1660 HydrophobicContact CD1-SD 4.41Å; L1410-M1660 HydrophobicContact CD2-CE 3.43Å; L1410-M1660 VanDerWaalsContact CD2-CE 3.43Å; L1410-M1660 HydrophobicContact CD2-SD 4.14Å; L1410-M1660 HydrophobicContact CG-CE 3.9Å; L1410-M1660 HydrophobicContact CG-SD 3.89Å |
| 1411 | N | 86.5 | Confident | 88.4 | Confident | 20 Ų | 20 | 20.8 Ų | 20.8 | 11% | 0.107 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.3 | -38.8 | -178.7 | -67.6 | -10.4 | 0 | 0 | 0 | 110.8 | M1407 W1414 M1660 T1663 K1664 | M1407-N1411 VanDerWaalsContact O-CB 3.26Å; M1407-N1411 WeakPolarHBondContact O-CB 3.31Å; M1407-N1411 PolarHBondContact O-N 3.34Å; M1407-N1411 PolarHBondContact O-ND2 3.45Å; M1407-N1411 PolarHBondContact O-OD1 3.5Å; N1411-W1414 VanDerWaalsContact O-CD1 3.27Å; N1411-M1660 PolarHBondContact OD1-SD 2.91Å; N1411-T1663 PolarHBondContact ND2-OG1 2.92Å; N1411-K1664 WeakPolarHBondContact O-CD 3.09Å; N1411-K1664 WeakPolarHBondContact O-CE 3.43Å; N1411-K1664 PolarHBondContact O-NZ 3.25Å |
| 1412 | S | 86 | Confident | 88.4 | Confident | 7 Ų | 7 | 20.9 Ų | 20.9 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.2 | -36.1 | 179.2 | 86.3 | 0 | 0 | 0 | 0 | 113.3 | Q1408 L1409 L1410 K1561 T1564 K1664 | Q1408-S1412 WeakPolarHBondContact O-CB 3.47Å; Q1408-S1412 PolarHBondContact O-N 2.98Å; L1409-S1412 PolarHBondContact O-OG 3.4Å; L1410-S1412 PolarHBondContact O-N 2.92Å; S1412-K1561 VanDerWaalsContact O-CE 3.3Å; S1412-K1561 WeakPolarHBondContact O-CE 3.26Å; S1412-K1561 PolarHBondContact O-NZ 3.13Å; S1412-T1564 VanDerWaalsContact CB-CG2 3.49Å; S1412-K1664 VanDerWaalsContact O-CE 3.32Å; S1412-K1664 WeakPolarHBondContact O-CE 3.26Å; S1412-K1664 PolarHBondContact O-NZ 2.91Å |
| 1413 | S | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -105 | -19 | -166 | 64.6 | 0 | 0 | 0 | 0 | 116.7 | L1409 L1410 S1415 E1416 I1417 L1556 | L1409-S1413 VanDerWaalsContact O-CB 3.31Å; L1409-S1413 WeakPolarHBondContact O-CB 3.31Å; L1409-S1413 PolarHBondContact O-N 2.91Å; L1409-S1413 VanDerWaalsContact O-N 3.11Å; L1409-S1413 PolarHBondContact O-OG 3.01Å; L1410-S1413 PolarHBondContact O-N 3.29Å; L1410-S1413 VanDerWaalsContact O-N 3.12Å; S1413-S1415 VanDerWaalsContact C-N 3.33Å; S1413-S1415 PolarHBondContact O-N 3.28Å; S1413-S1415 VanDerWaalsContact O-N 3.07Å; S1413-E1416 PolarHBondContact O-N 2.71Å; S1413-I1417 PolarHBondContact O-N 3.47Å; S1413-I1417 VanDerWaalsContact O-N 3.16Å; S1413-I1417 WeakPolarHBondContact OG-CD1 3.32Å; S1413-L1556 WeakPolarHBondContact OG-CD1 3.41Å |
| 1414 | W | 92.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -48.7 | -45.2 | -165.9 | 69 | -97.8 | 0 | 0 | 0 | 116 | L1385 L1388 L1410 N1411 I1417 I1418 E1639 L1642 L1657 M1660 L1661 | L1385-W1414 HydrophobicContact CD2-CB 3.76Å; L1385-W1414 HydrophobicContact CD2-CD2 4Å; L1385-W1414 HydrophobicContact CD2-CE3 3.83Å; L1385-W1414 HydrophobicContact CD2-CG 4.01Å; L1385-W1414 HydrophobicContact CG-CE3 4.48Å; L1388-W1414 HydrophobicContact CD2-CB 3.76Å; L1410-W1414 HydrophobicContact CD1-CB 4.01Å; L1410-W1414 WeakPolarHBondContact O-CB 3.48Å; L1410-W1414 PolarHBondContact O-N 3.3Å; N1411-W1414 VanDerWaalsContact O-CD1 3.27Å; W1414-I1417 PolarHBondContact O-N 3.09Å; W1414-I1418 HydrophobicContact CE3-CD1 4.03Å; W1414-I1418 HydrophobicContact CZ3-CD1 4.47Å; W1414-I1418 WeakPolarHBondContact O-CG1 3.24Å; W1414-I1418 PolarHBondContact O-N 3.48Å; W1414-E1639 HydrophobicContact CH2-CG 4.41Å; W1414-E1639 HydrophobicContact CZ2-CG 4.03Å; W1414-L1642 HydrophobicContact CH2-CD1 4.2Å; W1414-L1657 HydrophobicContact CH2-CD1 3.8Å; W1414-L1657 HydrophobicContact CZ3-CD1 4.08Å; W1414-M1660 HydrophobicContact CD2-CB 4.42Å; W1414-M1660 HydrophobicContact CZ2-CB 4.37Å; W1414-M1660 PolarHBondContact NE1-O 2.89Å; W1414-L1661 HydrophobicContact CH2-CD2 4.08Å; W1414-L1661 HydrophobicContact CH2-CG 4.41Å; W1414-L1661 HydrophobicContact CZ2-CD2 3.81Å; W1414-L1661 HydrophobicContact CZ2-CG 4.09Å |
| 1415 | S | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | -176.8 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | S1413 L1419 E1639 K1664 | S1413-S1415 VanDerWaalsContact C-N 3.33Å; S1413-S1415 PolarHBondContact O-N 3.28Å; S1413-S1415 VanDerWaalsContact O-N 3.07Å; S1415-L1419 WeakPolarHBondContact O-CB 3.49Å; S1415-L1419 PolarHBondContact O-N 2.99Å; S1415-E1639 WeakPolarHBondContact CB-OE1 3.38Å; S1415-E1639 PolarHBondContact OG-OE1 3.27Å; S1415-K1664 PolarHBondContact OG-NZ 3.05Å |
| 1416 | E | 92.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 11.9 Ų | 11.9 | 6% | 0.061 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -71.9 | -34.4 | 175.9 | -71.1 | 169 | -165.1 | 0 | 0 | 111.6 | S1413 L1419 L1420 V1555 K1561 I1631 K1632 A1635 | S1413-E1416 PolarHBondContact O-N 2.71Å; E1416-L1419 PolarHBondContact O-N 2.92Å; E1416-L1420 VanDerWaalsContact O-CB 3.31Å; E1416-L1420 WeakPolarHBondContact O-CB 3.28Å; E1416-L1420 WeakPolarHBondContact O-CG 3.31Å; E1416-L1420 PolarHBondContact O-N 3.35Å; E1416-V1555 HydrophobicContact CB-CG1 3.74Å; E1416-V1555 WeakPolarHBondContact OE2-CG1 3.44Å; E1416-K1561 VanDerWaalsContact OE1-CE 3.28Å; E1416-K1561 WeakPolarHBondContact OE1-CE 3.41Å; E1416-K1561 IonicContact OE1-NZ 2.75Å; E1416-K1561 PolarHBondContact OE1-NZ 3.11Å; E1416-K1561 IonicContact OE2-NZ 3.75Å; E1416-K1561 PolarHBondContact OE2-NZ 3.1Å; E1416-I1631 HydrophobicContact CB-CG2 3.99Å; E1416-I1631 HydrophobicContact CG-CG2 4.04Å; E1416-K1632 VanDerWaalsContact OE1-CA 3.28Å; E1416-K1632 WeakPolarHBondContact OE1-CA 3.3Å; E1416-K1632 VanDerWaalsContact OE1-CB 3.24Å; E1416-K1632 WeakPolarHBondContact OE1-CB 3.26Å; E1416-K1632 VanDerWaalsContact OE1-CG 3.29Å; E1416-K1632 WeakPolarHBondContact OE1-CG 3.28Å; E1416-A1635 HydrophobicContact CB-CB 4.31Å; E1416-A1635 HydrophobicContact CG-CB 3.42Å; E1416-A1635 VanDerWaalsContact CG-CB 3.42Å |
| 1417 | I | 92.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 10.2 Ų | 10.2 | 3% | 0.026 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -71.4 | -41.4 | 177.2 | -57.3 | 170.5 | 0 | 0 | 0 | 110.7 | L1388 S1413 W1414 L1419 L1420 E1421 K1552 V1555 L1556 | L1388-I1417 HydrophobicContact CD1-CB 4.12Å; L1388-I1417 HydrophobicContact CD1-CD1 4.03Å; L1388-I1417 HydrophobicContact CD1-CG2 3.59Å; S1413-I1417 PolarHBondContact O-N 3.47Å; S1413-I1417 VanDerWaalsContact O-N 3.16Å; S1413-I1417 WeakPolarHBondContact OG-CD1 3.32Å; W1414-I1417 PolarHBondContact O-N 3.09Å; I1417-L1419 VanDerWaalsContact C-N 3.35Å; I1417-L1420 PolarHBondContact O-N 3.03Å; I1417-E1421 PolarHBondContact O-N 3.01Å; I1417-K1552 HydrophobicContact CG2-CB 4.34Å; I1417-K1552 HydrophobicContact CG2-CG 4.23Å; I1417-V1555 HydrophobicContact CG1-CG1 3.87Å; I1417-L1556 HydrophobicContact CD1-CB 3.89Å; I1417-L1556 HydrophobicContact CD1-CD1 4.17Å |
| 1418 | I | 90.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 9.9 Ų | 9.9 | 7% | 0.072 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.3 | -68.8 | 178.2 | 0 | 0 | 0 | 110.9 | L1381 C1384 L1385 W1414 E1421 F1422 | L1381-I1418 HydrophobicContact CD2-CD1 4.15Å; L1381-I1418 HydrophobicContact CD2-CG2 3.88Å; C1384-I1418 HydrophobicContact CB-CD1 3.75Å; C1384-I1418 HydrophobicContact CB-CG1 4.09Å; L1385-I1418 HydrophobicContact CD2-CD1 4.2Å; L1385-I1418 HydrophobicContact CG-CD1 4.14Å; W1414-I1418 HydrophobicContact CE3-CD1 4.03Å; W1414-I1418 HydrophobicContact CZ3-CD1 4.47Å; W1414-I1418 WeakPolarHBondContact O-CG1 3.24Å; W1414-I1418 PolarHBondContact O-N 3.48Å; I1418-E1421 PolarHBondContact O-N 3.23Å; I1418-F1422 PolarHBondContact O-N 3.11Å |
| 1419 | L | 89.8 | Confident | 87 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.026 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 176.4 | -171.7 | 62.2 | 0 | 0 | 0 | 111.9 | S1415 E1416 I1417 E1421 F1422 I1423 L1510 L1531 I1631 L1634 A1635 | S1415-L1419 WeakPolarHBondContact O-CB 3.49Å; S1415-L1419 PolarHBondContact O-N 2.99Å; E1416-L1419 PolarHBondContact O-N 2.92Å; I1417-L1419 VanDerWaalsContact C-N 3.35Å; L1419-E1421 VanDerWaalsContact C-N 3.3Å; L1419-E1421 PolarHBondContact O-N 3.44Å; L1419-F1422 HydrophobicContact CD1-CD1 4.12Å; L1419-F1422 WeakPolarHBondContact O-CB 3.28Å; L1419-F1422 PolarHBondContact O-N 2.96Å; L1419-I1423 HydrophobicContact CG-CD1 4.01Å; L1419-I1423 WeakPolarHBondContact O-CD1 3.29Å; L1419-I1423 VanDerWaalsContact O-CG1 3.25Å; L1419-I1423 WeakPolarHBondContact O-CG1 3.33Å; L1419-I1423 PolarHBondContact O-N 2.81Å; L1419-L1510 HydrophobicContact CD1-CD1 4.34Å; L1419-L1531 HydrophobicContact CD1-CD1 4.31Å; L1419-I1631 HydrophobicContact CD2-CG2 4.39Å; L1419-L1634 HydrophobicContact CD2-CB 3.52Å; L1419-L1634 HydrophobicContact CD2-CD1 4.39Å; L1419-A1635 HydrophobicContact CD2-CB 4.48Å |
| 1420 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.8 | -36 | 171.1 | -89 | 168 | 0 | 0 | 0 | 112.6 | E1416 I1417 H1424 F1548 L1551 K1552 V1555 L1628 I1631 | E1416-L1420 VanDerWaalsContact O-CB 3.31Å; E1416-L1420 WeakPolarHBondContact O-CB 3.28Å; E1416-L1420 WeakPolarHBondContact O-CG 3.31Å; E1416-L1420 PolarHBondContact O-N 3.35Å; I1417-L1420 PolarHBondContact O-N 3.03Å; L1420-H1424 WeakPolarHBondContact O-CB 3.44Å; L1420-H1424 PolarHBondContact O-N 2.81Å; L1420-F1548 HydrophobicContact CD2-CD1 4.45Å; L1420-L1551 HydrophobicContact CD1-CB 4.19Å; L1420-L1551 HydrophobicContact CD2-CB 4.17Å; L1420-L1551 HydrophobicContact CD2-CD1 4.23Å; L1420-K1552 HydrophobicContact CB-CG 4.26Å; L1420-K1552 HydrophobicContact CD1-CG 4.34Å; L1420-V1555 HydrophobicContact CD1-CB 4.41Å; L1420-V1555 HydrophobicContact CD1-CG2 3.93Å; L1420-L1628 HydrophobicContact CD1-CD2 4.45Å; L1420-I1631 HydrophobicContact CD2-CD1 3.69Å; L1420-I1631 HydrophobicContact CG-CD1 4.14Å; L1420-I1631 HydrophobicContact CG-CG2 4.39Å |
| 1421 | E | 87.8 | Confident | 84.5 | Confident | 40 Ų | 40 | 13.5 Ų | 13.5 | 19% | 0.187 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | 174.9 | -159.9 | 68.2 | -97.3 | 0 | 0 | 111.8 | F1211 I1417 I1418 L1419 H1424 F1425 K1552 | F1211-E1421 WeakPolarHBondContact CE1-OE2 3.47Å; F1211-E1421 HydrophobicContact CZ-CG 4.48Å; F1211-E1421 VanDerWaalsContact CZ-OE2 3.28Å; F1211-E1421 WeakPolarHBondContact CZ-OE2 3.43Å; I1417-E1421 PolarHBondContact O-N 3.01Å; I1418-E1421 PolarHBondContact O-N 3.23Å; L1419-E1421 VanDerWaalsContact C-N 3.3Å; L1419-E1421 PolarHBondContact O-N 3.44Å; E1421-H1424 PolarHBondContact O-N 2.99Å; E1421-H1424 IonicContact OE1-CE1 2.71Å; E1421-H1424 PolarHBondContact OE1-CE1 2.92Å; E1421-H1424 IonicContact OE1-CG 3.47Å; E1421-H1424 IonicContact OE1-ND1 2.62Å; E1421-H1424 PolarHBondContact OE1-ND1 2.84Å; E1421-H1424 IonicContact OE1-NE2 2.68Å; E1421-H1424 IonicContact OE2-CE1 2.66Å; E1421-F1425 PolarHBondContact O-N 2.63Å; E1421-K1552 IonicContact OE1-NZ 3.26Å; E1421-K1552 PolarHBondContact OE1-NZ 3.5Å; E1421-K1552 WeakPolarHBondContact OE2-CE 3.4Å; E1421-K1552 IonicContact OE2-NZ 2.77Å; E1421-K1552 PolarHBondContact OE2-NZ 3.13Å |
| 1422 | F | 85.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 172.7 | 166.9 | -94.5 | 0 | 0 | 0 | 111.8 | I1418 L1419 F1425 Y1426 C1503 I1506 E1507 L1531 L1535 | I1418-F1422 PolarHBondContact O-N 3.11Å; L1419-F1422 HydrophobicContact CD1-CD1 4.12Å; L1419-F1422 WeakPolarHBondContact O-CB 3.28Å; L1419-F1422 PolarHBondContact O-N 2.96Å; F1422-F1425 PolarHBondContact O-N 3.12Å; F1422-Y1426 HydrophobicContact CZ-CD2 4.07Å; F1422-Y1426 WeakPolarHBondContact O-CB 3.32Å; F1422-Y1426 PolarHBondContact O-N 3.16Å; F1422-C1503 HydrophobicContact CD2-CB 4.08Å; F1422-C1503 WeakPolarHBondContact CD2-SG 3.48Å; F1422-C1503 HydrophobicContact CE2-CB 3.82Å; F1422-C1503 WeakPolarHBondContact CE2-O 3.24Å; F1422-I1506 HydrophobicContact CB-CD1 4.32Å; F1422-I1506 HydrophobicContact CB-CG2 4.4Å; F1422-I1506 HydrophobicContact CD1-CG2 4.29Å; F1422-I1506 HydrophobicContact CD2-CB 3.63Å; F1422-I1506 HydrophobicContact CD2-CD1 4.04Å; F1422-I1506 HydrophobicContact CD2-CG1 4.44Å; F1422-I1506 HydrophobicContact CD2-CG2 3.42Å; F1422-I1506 VanDerWaalsContact CD2-CG2 3.42Å; F1422-I1506 HydrophobicContact CE2-CB 3.81Å; F1422-I1506 HydrophobicContact CE2-CG2 3.68Å; F1422-I1506 HydrophobicContact CG-CB 4.43Å; F1422-I1506 HydrophobicContact CG-CG2 3.77Å; F1422-I1506 HydrophobicContact CZ-CG2 4.23Å; F1422-E1507 HydrophobicContact CE2-CB 4.38Å; F1422-E1507 HydrophobicContact CZ-CB 4.23Å; F1422-L1531 HydrophobicContact CE1-CD1 4.14Å; F1422-L1531 HydrophobicContact CE1-CD2 4.41Å; F1422-L1535 HydrophobicContact CE1-CD1 4.33Å; F1422-L1535 HydrophobicContact CE1-CD2 4.39Å |
| 1423 | I | 87.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 177.1 | -66.9 | 156 | 0 | 0 | 0 | 110.4 | L1419 F1425 Y1426 V1427 L1534 L1535 F1538 F1548 I1631 | L1419-I1423 HydrophobicContact CG-CD1 4.01Å; L1419-I1423 WeakPolarHBondContact O-CD1 3.29Å; L1419-I1423 VanDerWaalsContact O-CG1 3.25Å; L1419-I1423 WeakPolarHBondContact O-CG1 3.33Å; L1419-I1423 PolarHBondContact O-N 2.81Å; I1423-F1425 PolarHBondContact O-N 3.21Å; I1423-Y1426 PolarHBondContact O-N 3.06Å; I1423-Y1426 VanDerWaalsContact O-N 3.15Å; I1423-V1427 HydrophobicContact CG2-CG2 4.25Å; I1423-V1427 VanDerWaalsContact O-CG2 3.3Å; I1423-V1427 WeakPolarHBondContact O-CG2 3.49Å; I1423-V1427 PolarHBondContact O-N 3.07Å; I1423-L1534 HydrophobicContact CD1-CD2 3.36Å; I1423-L1534 HydrophobicContact CG1-CD2 4.01Å; I1423-L1535 HydrophobicContact CB-CD2 4.33Å; I1423-L1535 HydrophobicContact CG1-CD2 4.12Å; I1423-L1535 HydrophobicContact CG2-CD2 4.23Å; I1423-F1538 HydrophobicContact CG2-CB 4.04Å; I1423-F1538 HydrophobicContact CG2-CD1 4.24Å; I1423-F1538 HydrophobicContact CG2-CD2 3.91Å; I1423-F1538 HydrophobicContact CG2-CE2 4.47Å; I1423-F1538 HydrophobicContact CG2-CG 3.79Å; I1423-F1548 HydrophobicContact CG2-CE1 3.87Å; I1423-F1548 HydrophobicContact CG2-CZ 4.22Å; I1423-I1631 HydrophobicContact CD1-CD1 4.03Å; I1423-I1631 HydrophobicContact CD1-CG1 3.79Å |
| 1424 | H | 88.7 | Confident | 78.5 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 178.8 | 172.8 | -134.9 | 0 | 0 | 0 | 111.6 | L1420 E1421 T1428 F1548 K1552 | L1420-H1424 WeakPolarHBondContact O-CB 3.44Å; L1420-H1424 PolarHBondContact O-N 2.81Å; E1421-H1424 PolarHBondContact O-N 2.99Å; E1421-H1424 IonicContact OE1-CE1 2.71Å; E1421-H1424 PolarHBondContact OE1-CE1 2.92Å; E1421-H1424 IonicContact OE1-CG 3.47Å; E1421-H1424 IonicContact OE1-ND1 2.62Å; E1421-H1424 PolarHBondContact OE1-ND1 2.84Å; E1421-H1424 IonicContact OE1-NE2 2.68Å; E1421-H1424 IonicContact OE2-CE1 2.66Å; H1424-T1428 WeakPolarHBondContact O-CB 3.48Å; H1424-T1428 WeakPolarHBondContact O-CG2 3.19Å; H1424-T1428 PolarHBondContact O-N 3.27Å; H1424-T1428 PolarHBondContact O-OG1 3.26Å; H1424-F1548 HydrophobicContact CB-CB 4.33Å; H1424-F1548 HydrophobicContact CB-CD1 3.77Å; H1424-F1548 HydrophobicContact CB-CD2 4.36Å; H1424-F1548 HydrophobicContact CB-CE1 4.09Å; H1424-F1548 HydrophobicContact CB-CG 3.91Å; H1424-F1548 HydrophobicContact CB-CZ 4.49Å; H1424-F1548 AromaticContact CD2-CD2 3.38Å; H1424-F1548 WeakPolarHBondContact CD2-CD2 3.22Å; H1424-F1548 AromaticContact CD2-CG 3.52Å; H1424-F1548 AromaticContact CG-CG 3.91Å; H1424-K1552 PolarHBondContact CE1-NZ 3.35Å |
| 1425 | F | 83.6 | Confident | 75.8 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.3 | -175.2 | -90 | 0 | 0 | 0 | 112.4 | E1421 F1422 I1423 V1427 T1428 H1429 L1430 S1499 C1503 | E1421-F1425 PolarHBondContact O-N 2.63Å; F1422-F1425 PolarHBondContact O-N 3.12Å; I1423-F1425 PolarHBondContact O-N 3.21Å; F1425-V1427 PolarHBondContact O-N 3.35Å; F1425-T1428 PolarHBondContact O-N 3.25Å; F1425-T1428 PolarHBondContact O-OG1 2.85Å; F1425-H1429 HydrophobicContact CD1-CB 4.23Å; F1425-H1429 HydrophobicContact CD2-CB 4.01Å; F1425-H1429 AromaticContact CD2-CD2 3.25Å; F1425-H1429 WeakPolarHBondContact CD2-CD2 3.33Å; F1425-H1429 AromaticContact CD2-CG 3.82Å; F1425-H1429 HydrophobicContact CE1-CB 3.78Å; F1425-H1429 HydrophobicContact CE2-CB 3.49Å; F1425-H1429 VanDerWaalsContact CE2-CB 3.49Å; F1425-H1429 AromaticContact CE2-CD2 3.2Å; F1425-H1429 WeakPolarHBondContact CE2-CD2 3.44Å; F1425-H1429 AromaticContact CE2-CG 3.34Å; F1425-H1429 AromaticContact CE2-NE2 3.96Å; F1425-H1429 HydrophobicContact CG-CB 4.36Å; F1425-H1429 HydrophobicContact CZ-CB 3.37Å; F1425-H1429 AromaticContact CZ-CG 3.77Å; F1425-H1429 WeakPolarHBondContact O-CB 3.29Å; F1425-H1429 PolarHBondContact O-N 3.41Å; F1425-L1430 HydrophobicContact CD1-CD1 4.3Å; F1425-L1430 HydrophobicContact CE1-CD1 4.26Å; F1425-L1430 HydrophobicContact CE1-CG 4.43Å; F1425-S1499 WeakPolarHBondContact CD2-OG 3.37Å; F1425-S1499 VanDerWaalsContact CE1-C 3.5Å; F1425-S1499 VanDerWaalsContact CE1-O 3.27Å; F1425-S1499 WeakPolarHBondContact CE1-O 3.45Å; F1425-S1499 WeakPolarHBondContact CE2-OG 3.39Å; F1425-S1499 WeakPolarHBondContact CG-OG 3.41Å; F1425-S1499 VanDerWaalsContact CZ-CB 3.41Å; F1425-C1503 HydrophobicContact CD1-CB 4.23Å; F1425-C1503 WeakPolarHBondContact CD1-SG 3.46Å |
| 1426 | Y | 82.3 | Confident | 73.1 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -59.6 | -48.4 | 179.8 | -164.7 | -71.4 | 0 | 0 | 0 | 111.6 | F1422 I1423 L1430 N1431 K1434 E1507 L1535 | F1422-Y1426 HydrophobicContact CZ-CD2 4.07Å; F1422-Y1426 WeakPolarHBondContact O-CB 3.32Å; F1422-Y1426 PolarHBondContact O-N 3.16Å; I1423-Y1426 PolarHBondContact O-N 3.06Å; I1423-Y1426 VanDerWaalsContact O-N 3.15Å; Y1426-L1430 HydrophobicContact CD1-CB 4.3Å; Y1426-L1430 HydrophobicContact CD2-CB 4.37Å; Y1426-L1430 HydrophobicContact CD2-CD1 3.66Å; Y1426-L1430 HydrophobicContact CE1-CB 4.49Å; Y1426-L1430 HydrophobicContact CE2-CD1 4.06Å; Y1426-L1430 HydrophobicContact CG-CB 4.22Å; Y1426-L1430 HydrophobicContact CG-CD1 4.16Å; Y1426-L1430 WeakPolarHBondContact O-CB 3.44Å; Y1426-L1430 PolarHBondContact O-N 3.3Å; Y1426-N1431 PolarHBondContact O-N 3.07Å; Y1426-K1434 PolarHBondContact OH-NZ 2.97Å; Y1426-E1507 WeakPolarHBondContact CE2-OE2 3.39Å; Y1426-L1535 HydrophobicContact CD1-CD1 4.17Å; Y1426-L1535 HydrophobicContact CD1-CD2 3.85Å; Y1426-L1535 HydrophobicContact CD1-CG 4.45Å; Y1426-L1535 HydrophobicContact CD2-CD1 3.94Å; Y1426-L1535 HydrophobicContact CD2-CD2 4.25Å; Y1426-L1535 HydrophobicContact CE1-CD1 4.18Å; Y1426-L1535 HydrophobicContact CE2-CD1 3.93Å; Y1426-L1535 HydrophobicContact CG-CD1 4.07Å; Y1426-L1535 HydrophobicContact CG-CD2 3.67Å; Y1426-L1535 HydrophobicContact CG-CG 4.48Å |
| 1427 | V | 83 | Confident | 70.3 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -66.4 | -42.2 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111.4 | I1423 F1425 F1538 Q1539 F1548 | I1423-V1427 HydrophobicContact CG2-CG2 4.25Å; I1423-V1427 VanDerWaalsContact O-CG2 3.3Å; I1423-V1427 WeakPolarHBondContact O-CG2 3.49Å; I1423-V1427 PolarHBondContact O-N 3.07Å; F1425-V1427 PolarHBondContact O-N 3.35Å; V1427-F1538 HydrophobicContact CG2-CB 3.87Å; V1427-Q1539 HydrophobicContact CB-CG 4.47Å; V1427-Q1539 HydrophobicContact CG1-CG 4.24Å; V1427-Q1539 HydrophobicContact CG2-CG 3.97Å; V1427-F1548 HydrophobicContact CB-CE2 4.49Å; V1427-F1548 HydrophobicContact CB-CZ 4.28Å; V1427-F1548 HydrophobicContact CG1-CE2 4.42Å; V1427-F1548 HydrophobicContact CG2-CZ 4.27Å |
| 1428 | T | 79 | Confident | 67.4 | Low | 28 Ų | 28 | 40.6 Ų | 40.6 | 17% | 0.172 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -82.8 | -32.1 | -173.8 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | H1424 F1425 N1432 | H1424-T1428 WeakPolarHBondContact O-CB 3.48Å; H1424-T1428 WeakPolarHBondContact O-CG2 3.19Å; H1424-T1428 PolarHBondContact O-N 3.27Å; H1424-T1428 PolarHBondContact O-OG1 3.26Å; F1425-T1428 PolarHBondContact O-N 3.25Å; F1425-T1428 PolarHBondContact O-OG1 2.85Å; T1428-N1432 PolarHBondContact O-ND2 2.64Å |
| 1429 | H | 69.5 | Low | 64.6 | Low | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -116.9 | -51.4 | -173.4 | -69.3 | -80.4 | 0 | 0 | 0 | 113.7 | F1425 N1432 A1433 | F1425-H1429 HydrophobicContact CD1-CB 4.23Å; F1425-H1429 HydrophobicContact CD2-CB 4.01Å; F1425-H1429 AromaticContact CD2-CD2 3.25Å; F1425-H1429 WeakPolarHBondContact CD2-CD2 3.33Å; F1425-H1429 AromaticContact CD2-CG 3.82Å; F1425-H1429 HydrophobicContact CE1-CB 3.78Å; F1425-H1429 HydrophobicContact CE2-CB 3.49Å; F1425-H1429 VanDerWaalsContact CE2-CB 3.49Å; F1425-H1429 AromaticContact CE2-CD2 3.2Å; F1425-H1429 WeakPolarHBondContact CE2-CD2 3.44Å; F1425-H1429 AromaticContact CE2-CG 3.34Å; F1425-H1429 AromaticContact CE2-NE2 3.96Å; F1425-H1429 HydrophobicContact CG-CB 4.36Å; F1425-H1429 HydrophobicContact CZ-CB 3.37Å; F1425-H1429 AromaticContact CZ-CG 3.77Å; F1425-H1429 WeakPolarHBondContact O-CB 3.29Å; F1425-H1429 PolarHBondContact O-N 3.41Å; H1429-N1432 PolarHBondContact O-N 2.87Å; H1429-A1433 PolarHBondContact O-N 3.3Å |
| 1430 | L | 64.4 | Low | 61.8 | Low | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -65.7 | -43.5 | -177.7 | -94.7 | 151.8 | 0 | 0 | 0 | 112.6 | F1425 Y1426 A1433 K1434 M1500 C1503 | F1425-L1430 HydrophobicContact CD1-CD1 4.3Å; F1425-L1430 HydrophobicContact CE1-CD1 4.26Å; F1425-L1430 HydrophobicContact CE1-CG 4.43Å; Y1426-L1430 HydrophobicContact CD1-CB 4.3Å; Y1426-L1430 HydrophobicContact CD2-CB 4.37Å; Y1426-L1430 HydrophobicContact CD2-CD1 3.66Å; Y1426-L1430 HydrophobicContact CE1-CB 4.49Å; Y1426-L1430 HydrophobicContact CE2-CD1 4.06Å; Y1426-L1430 HydrophobicContact CG-CB 4.22Å; Y1426-L1430 HydrophobicContact CG-CD1 4.16Å; Y1426-L1430 WeakPolarHBondContact O-CB 3.44Å; Y1426-L1430 PolarHBondContact O-N 3.3Å; L1430-A1433 PolarHBondContact O-N 2.82Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 2.98Å; L1430-K1434 VanDerWaalsContact O-N 3.12Å; L1430-M1500 HydrophobicContact CD2-CE 3.42Å; L1430-M1500 VanDerWaalsContact CD2-CE 3.42Å; L1430-M1500 HydrophobicContact CD2-SD 3.54Å; L1430-M1500 VanDerWaalsContact CD2-SD 3.54Å; L1430-M1500 HydrophobicContact CG-CE 4.18Å; L1430-M1500 HydrophobicContact CG-SD 3.68Å; L1430-C1503 HydrophobicContact CD1-CB 3.48Å; L1430-C1503 VanDerWaalsContact CD1-CB 3.48Å |
| 1431 | N | 60.3 | Low | 59 | Low | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.4 | -162.9 | 24.9 | 0 | 0 | 0 | 112.5 | Y1426 K1434 R1435 Q1539 | Y1426-N1431 PolarHBondContact O-N 3.07Å; N1431-K1434 PolarHBondContact O-N 3.05Å; N1431-R1435 PolarHBondContact O-N 3.11Å; N1431-Q1539 WeakPolarHBondContact ND2-CG 3.43Å; N1431-Q1539 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1539 PolarHBondContact OD1-OE1 3.02Å |
| 1432 | N | 47 | Very low | 56.1 | Low | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.4 | -77.2 | -34.7 | 0 | 0 | 0 | 112 | T1428 H1429 K1434 R1435 T1436 | T1428-N1432 PolarHBondContact O-ND2 2.64Å; H1429-N1432 PolarHBondContact O-N 2.87Å; N1432-K1434 VanDerWaalsContact C-N 3.34Å; N1432-K1434 PolarHBondContact O-N 2.69Å; N1432-R1435 PolarHBondContact O-N 2.74Å; N1432-T1436 PolarHBondContact O-N 3.17Å; N1432-T1436 PolarHBondContact O-OG1 2.73Å |
| 1433 | A | 42.6 | Very low | 53.4 | Low | 32 Ų | 32 | 61.1 Ų | 61.1 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | H1429 L1430 T1436 N1437 M1500 | H1429-A1433 PolarHBondContact O-N 3.3Å; L1430-A1433 PolarHBondContact O-N 2.82Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.48Å; A1433-T1436 PolarHBondContact O-OG1 3.31Å; A1433-N1437 PolarHBondContact O-N 3.42Å; A1433-N1437 PolarHBondContact O-ND2 3.11Å; A1433-M1500 HydrophobicContact CB-CE 4.49Å |
| 1434 | K | 45.6 | Very low | 50.6 | Low | 108 Ų | 108 | 65.6 Ų | 65.6 | 47% | 0.47 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 173.9 | -70.7 | 174.8 | -179.2 | -179.8 | 0 | 111.9 | Y1426 L1430 N1431 N1432 T1438 | Y1426-K1434 PolarHBondContact OH-NZ 2.97Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 2.98Å; L1430-K1434 VanDerWaalsContact O-N 3.12Å; N1431-K1434 PolarHBondContact O-N 3.05Å; N1432-K1434 VanDerWaalsContact C-N 3.34Å; N1432-K1434 PolarHBondContact O-N 2.69Å; K1434-T1438 PolarHBondContact O-N 2.84Å; K1434-T1438 PolarHBondContact O-OG1 2.99Å |
| 1435 | R | 35.4 | Very low | 47.7 | Very low | 145 Ų | 145 | 75.4 Ų | 75.4 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 175.3 | -79.2 | -179.5 | 166.7 | 172.2 | -4.7 | 113.7 | N1431 N1432 N1437 T1438 I1439 | N1431-R1435 PolarHBondContact O-N 3.11Å; N1432-R1435 PolarHBondContact O-N 2.74Å; R1435-N1437 VanDerWaalsContact C-N 3.28Å; R1435-N1437 PolarHBondContact O-N 3.01Å; R1435-T1438 WeakPolarHBondContact CA-OG1 3.47Å; R1435-T1438 PolarHBondContact O-N 2.77Å; R1435-T1438 PolarHBondContact O-OG1 3.04Å; R1435-T1438 VanDerWaalsContact O-OG1 3.06Å; R1435-I1439 PolarHBondContact O-N 3.35Å |
| 1436 | T | 34.9 | Very low | 44.8 | Very low | 88 Ų | 88 | 85.8 Ų | 85.8 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.8 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | N1432 A1433 T1438 I1439 L1440 | N1432-T1436 PolarHBondContact O-N 3.17Å; N1432-T1436 PolarHBondContact O-OG1 2.73Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.48Å; A1433-T1436 PolarHBondContact O-OG1 3.31Å; T1436-T1438 VanDerWaalsContact C-N 3.33Å; T1436-T1438 PolarHBondContact O-N 3.13Å; T1436-I1439 PolarHBondContact O-N 2.79Å; T1436-L1440 PolarHBondContact O-N 2.9Å; T1436-L1440 VanDerWaalsContact O-N 3.1Å |
| 1437 | N | 33.7 | Very low | 42 | Very low | 72 Ų | 72 | 90.5 Ų | 90.5 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.5 | -24.3 | 178 | -73.6 | -17.4 | 0 | 0 | 0 | 113.8 | A1433 R1435 T1441 | A1433-N1437 PolarHBondContact O-N 3.42Å; A1433-N1437 PolarHBondContact O-ND2 3.11Å; R1435-N1437 VanDerWaalsContact C-N 3.28Å; R1435-N1437 PolarHBondContact O-N 3.01Å; N1437-T1441 PolarHBondContact O-OG1 3.15Å |
| 1438 | T | 32.3 | Very low | 39.2 | Very low | 88 Ų | 88 | 99 Ų | 99 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -81.6 | -31.1 | 174.2 | 22.6 | 0 | 0 | 0 | 0 | 112.9 | K1434 R1435 T1436 L1440 T1441 | K1434-T1438 PolarHBondContact O-N 2.84Å; K1434-T1438 PolarHBondContact O-OG1 2.99Å; R1435-T1438 WeakPolarHBondContact CA-OG1 3.47Å; R1435-T1438 PolarHBondContact O-N 2.77Å; R1435-T1438 PolarHBondContact O-OG1 3.04Å; R1435-T1438 VanDerWaalsContact O-OG1 3.06Å; T1436-T1438 VanDerWaalsContact C-N 3.33Å; T1436-T1438 PolarHBondContact O-N 3.13Å; T1438-L1440 VanDerWaalsContact C-N 3.35Å; T1438-T1441 WeakPolarHBondContact CA-OG1 3.43Å; T1438-T1441 PolarHBondContact O-N 3.37Å; T1438-T1441 PolarHBondContact O-OG1 3.35Å |
| 1439 | I | 32.2 | Very low | 36.5 | Very low | 128 Ų | 128 | 105.6 Ų | 105.6 | 66% | 0.656 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.7 | -30.4 | 173.2 | -63.8 | 168.6 | 0 | 0 | 0 | 111.2 | R1435 T1436 T1441 S1443 | R1435-I1439 PolarHBondContact O-N 3.35Å; T1436-I1439 PolarHBondContact O-N 2.79Å; I1439-T1441 VanDerWaalsContact C-N 3.31Å; I1439-T1441 PolarHBondContact O-N 3.43Å; I1439-S1443 PolarHBondContact O-OG 3.08Å |
| 1440 | L | 30.9 | Very low | 34.3 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 42% | 0.419 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.6 | -12.5 | 176.4 | -149.9 | 70.3 | 0 | 0 | 0 | 114 | T1436 T1438 S1443 L1454 | T1436-L1440 PolarHBondContact O-N 2.9Å; T1436-L1440 VanDerWaalsContact O-N 3.1Å; T1438-L1440 VanDerWaalsContact C-N 3.35Å; L1440-S1443 WeakPolarHBondContact CA-OG 3.43Å; L1440-S1443 PolarHBondContact O-OG 3.26Å; L1440-L1454 HydrophobicContact CD2-CD1 3.71Å |
| 1441 | T | 31.5 | Very low | 32.3 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.5 | -33.3 | 176.5 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | N1437 T1438 I1439 | N1437-T1441 PolarHBondContact O-OG1 3.15Å; T1438-T1441 WeakPolarHBondContact CA-OG1 3.43Å; T1438-T1441 PolarHBondContact O-N 3.37Å; T1438-T1441 PolarHBondContact O-OG1 3.35Å; I1439-T1441 VanDerWaalsContact C-N 3.31Å; I1439-T1441 PolarHBondContact O-N 3.43Å |
| 1442 | D | 28.4 | Very low | 30.6 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.4 | -29.9 | 177.1 | -102.6 | -45.3 | 0 | 0 | 0 | 113.1 | K1444 R1445 | D1442-K1444 PolarHBondContact O-N 3.38Å; D1442-R1445 PolarHBondContact O-N 2.82Å |
| 1443 | S | 28.8 | Very low | 29.9 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -67.1 | -21 | 173.6 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | I1439 L1440 R1445 | I1439-S1443 PolarHBondContact O-OG 3.08Å; L1440-S1443 WeakPolarHBondContact CA-OG 3.43Å; L1440-S1443 PolarHBondContact O-OG 3.26Å; S1443-R1445 PolarHBondContact O-N 2.84Å |
| 1444 | K | 27.9 | Very low | 28.9 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 40% | 0.404 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -78.7 | -7.9 | 179.2 | -92.5 | -174 | 170.6 | -170.6 | 0 | 116.3 | D1442 R1446 D1452 | D1442-K1444 PolarHBondContact O-N 3.38Å; K1444-R1446 PolarHBondContact O-N 3.18Å; K1444-D1452 WeakPolarHBondContact CE-OD1 3.44Å; K1444-D1452 IonicContact NZ-OD1 3.28Å; K1444-D1452 PolarHBondContact NZ-OD1 3.45Å; K1444-D1452 IonicContact NZ-OD2 3.71Å; K1444-D1452 PolarHBondContact NZ-OD2 3.17Å |
| 1445 | R | 27.9 | Very low | 27.9 | Very low | 212 Ų | 212 | 126.1 Ų | 126.1 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -79.3 | 3.1 | 178.3 | -78.9 | -177.4 | 168.3 | 176.6 | -1.5 | 114.9 | D1442 S1443 | D1442-R1445 PolarHBondContact O-N 2.82Å; S1443-R1445 PolarHBondContact O-N 2.84Å |
| 1446 | R | 22.6 | Very low | 27.4 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -130.8 | 28.2 | -174.3 | -142.9 | -179.2 | -167.3 | 169.9 | 4.8 | 116.9 | K1444 | K1444-R1446 PolarHBondContact O-N 3.18Š|
| 1447 | C | 23.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 75% | 0.75 | 67% | 0.667 | S | S | * | * | trans | -140.2 | 118.8 | 154.7 | -88.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1448 | K | 24.4 | Very low | 26.3 | Very low | 196 Ų | 196 | 128 Ų | 128 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | trans | -88 | 146.5 | 159 | -81.5 | -173 | 172.4 | -175.3 | 0 | 107.5 | ||||
| 1449 | N | 23.8 | Very low | 25.8 | Very low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 77 | 53.8 | 171.2 | -46.1 | -8.4 | 0 | 0 | 0 | 116.1 | ||
| 1450 | A | 22.6 | Very low | 25.4 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -136.3 | 149.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1451 | M | 23.3 | Very low | 25 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 96% | 0.956 | 71% | 0.707 | S | S | * | * | trans | -72.6 | 145.2 | -177.1 | -79.7 | -65.7 | -168.9 | 0 | 0 | 112.2 | ||||
| 1452 | D | 24.2 | Very low | 24.7 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 56% | 0.556 | 72% | 0.715 | S | S | * | * | trans | -132.1 | 165.6 | -176.4 | -140.1 | 15.3 | 0 | 0 | 0 | 107.5 | K1444 | K1444-D1452 WeakPolarHBondContact CE-OD1 3.44Å; K1444-D1452 IonicContact NZ-OD1 3.28Å; K1444-D1452 PolarHBondContact NZ-OD1 3.45Å; K1444-D1452 IonicContact NZ-OD2 3.71Å; K1444-D1452 PolarHBondContact NZ-OD2 3.17Å | ||
| 1453 | P | 32.6 | Very low | 24.4 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 57% | 0.571 | 73% | 0.726 | S | S | * | * | cis | -137.7 | 175.1 | -2.6 | 42.8 | -26.8 | 0 | 0 | 0 | 116.2 | N1455 | P1453-N1455 PolarHBondContact O-N 2.97Š| ||
| 1454 | L | 21.6 | Very low | 24.3 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -45.5 | 126.1 | 144.3 | -69.5 | 136.7 | 0 | 0 | 0 | 111.2 | L1440 | L1440-L1454 HydrophobicContact CD2-CD1 3.71Š| ||
| 1455 | N | 23.6 | Very low | 24 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -141.2 | 56.6 | 173.7 | -165.9 | 16.7 | 0 | 0 | 0 | 114.1 | P1453 | P1453-N1455 PolarHBondContact O-N 2.97Š| ||
| 1456 | V | 24.3 | Very low | 23.8 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -142.6 | 57.3 | 170.6 | -163.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1457 | C | 23.3 | Very low | 23.9 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 55% | 0.554 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -159.3 | 33.6 | 166.7 | -154.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1458 | S | 22.8 | Very low | 23.9 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -149.3 | 45.8 | -179.1 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1459 | S | 23 | Very low | 23.9 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -157 | 80.8 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1460 | L | 23 | Very low | 23.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 60% | 0.602 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -167.2 | 41.4 | 156.1 | -110.4 | 168.9 | 0 | 0 | 0 | 113.7 | ||
| 1461 | F | 22.3 | Very low | 24 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | trans | -136.6 | 113.7 | 159 | -88.8 | -71.5 | 0 | 0 | 0 | 109.1 | ||||
| 1462 | P | 25.5 | Very low | 24 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -129.8 | 91.2 | 153.6 | 34.1 | -19.1 | 0 | 0 | 0 | 110.2 | N1464 | P1462-N1464 PolarHBondContact O-N 3.38Š| ||
| 1463 | M | 21.4 | Very low | 24.2 | Very low | 183 Ų | 183 | 122.7 Ų | 122.7 | 90% | 0.901 | 70% | 0.703 | S | S | * | * | trans | -78.4 | 106.6 | 144 | -88.4 | -168.4 | 150.9 | 0 | 0 | 106.2 | ||||
| 1464 | N | 26.5 | Very low | 23.8 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | -99.6 | 123.4 | 179.1 | -171.8 | 7.1 | 0 | 0 | 0 | 109.8 | P1462 | P1462-N1464 PolarHBondContact O-N 3.38Š| ||
| 1465 | A | 22.1 | Very low | 24.3 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -114.2 | 96.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1466 | N | 23.2 | Very low | 24.3 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | 44.8 | 98.1 | 167 | -63.4 | -10.3 | 0 | 0 | 0 | 117.7 | ||||
| 1467 | P | 24.9 | Very low | 24.2 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -74.9 | 137 | 165.6 | 32.1 | -32.3 | 0 | 0 | 0 | 111.1 | ||||
| 1468 | I | 24.1 | Very low | 24.2 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | -93 | 100.8 | 167.8 | -62.2 | 179.5 | 0 | 0 | 0 | 109.4 | ||||
| 1469 | N | 24.3 | Very low | 24.2 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | trans | 61.8 | 127.6 | 150 | -141.1 | 10.8 | 0 | 0 | 0 | 121.8 | ||||
| 1470 | C | 22.7 | Very low | 24.1 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | trans | -45.4 | 173.2 | 165.6 | -45.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1471 | N | 24.4 | Very low | 24.2 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | cis | -149.9 | -165.2 | 3.2 | -135.6 | 3.5 | 0 | 0 | 0 | 108.3 | ||||
| 1472 | E | 24.6 | Very low | 24.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | cis | -163.7 | 176.5 | 8 | -137.3 | 158.2 | -102.8 | 0 | 0 | 107.3 | S1253 | S1253-E1472 WeakPolarHBondContact OG-CA 3.3Å; S1253-E1472 PolarHBondContact OG-N 3.47Å; S1253-E1472 PolarHBondContact OG-O 3.35Å; S1253-E1472 VanDerWaalsContact OG-O 3.09Å | ||
| 1473 | N | 27.3 | Very low | 24.1 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 51% | 0.508 | 71% | 0.714 | S | S | . | * | cis | -153.1 | -144.9 | 17.3 | -159 | -74.8 | 0 | 0 | 0 | 111.2 | S1253 | S1253-N1473 PolarHBondContact OG-N 2.9Š| ||
| 1474 | N | 25.7 | Very low | 24.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 57% | 0.572 | 71% | 0.71 | S | S | * | * | trans | -141.4 | -152.8 | -172.3 | -140.4 | -12.3 | 0 | 0 | 0 | 109.4 | N1252 | N1252-N1474 PolarHBondContact OD1-ND2 3.48Š| ||
| 1475 | P | 31.5 | Very low | 24.2 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | cis | -138.3 | 168.1 | -8.6 | 43.1 | -24 | 0 | 0 | 0 | 119.3 | ||||
| 1476 | L | 23.5 | Very low | 24.4 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | 65.9 | 117 | 140.8 | -97.1 | 70.3 | 0 | 0 | 0 | 126.6 | ||||
| 1477 | A | 22.9 | Very low | 24.3 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | 72.6 | 153.4 | 112.7 | 0 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 1478 | A | 22.2 | Very low | 24.3 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | 75.4 | 148.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1479 | T | 23.1 | Very low | 24.2 | Very low | 126 Ų | 126 | 120 Ų | 120 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | cis | -150.1 | 176.7 | 6.4 | -22 | 0 | 0 | 0 | 0 | 112 | ||||
| 1480 | T | 21.8 | Very low | 24.1 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | -21 | 154.6 | 166.1 | 51.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1481 | T | 23.4 | Very low | 24.1 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | -172 | 149 | 50 | -28.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1482 | T | 23.7 | Very low | 24 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | 54.8 | 125.2 | 149.5 | 42.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1483 | N | 23.8 | Very low | 24 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 92.4 | 149 | 130.4 | -66.1 | -5.6 | 0 | 0 | 0 | 122.3 | ||||
| 1484 | N | 24.3 | Very low | 23.9 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -108 | 155.5 | -172.6 | -34.7 | -59.5 | 0 | 0 | 0 | 112 | ||||
| 1485 | T | 23.8 | Very low | 24 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | -146.8 | 155.6 | 126.6 | 12.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 1486 | T | 26.6 | Very low | 24.3 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | -116.4 | 137.7 | 177.5 | 49.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1487 | T | 22.8 | Very low | 24.8 | Very low | 135 Ų | 135 | 115.2 Ų | 115.2 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | trans | -124.4 | 134.5 | 164.2 | 49.6 | 0 | 0 | 0 | 0 | 110 | S1489 | T1487-S1489 PolarHBondContact O-N 3.15Š| ||
| 1488 | T | 23.5 | Very low | 25.4 | Very low | 149 Ų | 149 | 112 Ų | 112 | 91% | 0.914 | 68% | 0.684 | S | S | * | * | trans | -70.6 | 119.5 | -173 | 47 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1489 | S | 21.8 | Very low | 26.7 | Very low | 99 Ų | 99 | 108.9 Ų | 108.9 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | trans | -150.6 | 105.7 | 161.6 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | T1487 S1491 | T1487-S1489 PolarHBondContact O-N 3.15Å; S1489-S1491 PolarHBondContact O-N 3.2Å | ||
| 1490 | S | 22.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 105.4 Ų | 105.4 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | trans | 16.1 | 87.3 | 148.9 | 56.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1491 | S | 22.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | trans | -107.6 | 94.4 | 170.9 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | S1489 L1493 | S1489-S1491 PolarHBondContact O-N 3.2Å; S1491-L1493 VanDerWaalsContact C-N 3.3Å; S1491-L1493 PolarHBondContact O-N 3.09Å | ||
| 1492 | L | 23.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 100.3 Ų | 100.3 | 91% | 0.906 | 59% | 0.593 | S | S | * | * | trans | -69.8 | 76 | 176.2 | -72.9 | 161.3 | 0 | 0 | 0 | 111.8 | S1494 | L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3Å | ||
| 1493 | L | 24.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 95.2 Ų | 95.2 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | trans | -78.3 | 78.2 | -179 | -84 | 158.8 | 0 | 0 | 0 | 112.7 | K1233 S1491 | K1233-L1493 PolarHBondContact NZ-O 3.32Å; S1491-L1493 VanDerWaalsContact C-N 3.3Å; S1491-L1493 PolarHBondContact O-N 3.09Å | ||
| 1494 | S | 25 | Very low | 34.5 | Very low | 69 Ų | 69 | 90.5 Ų | 90.5 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | trans | -42.3 | 161.5 | -174.9 | 54.9 | 0 | 0 | 0 | 0 | 117.8 | L1492 S1496 | L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3Å; S1494-S1496 PolarHBondContact O-N 3.18Å; S1494-S1496 PolarHBondContact OG-OG 3.44Å | ||
| 1495 | H | 28.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 84.8 Ų | 84.8 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -5.5 | 175.2 | -78.4 | -110.1 | 0 | 0 | 0 | 114.9 | I1229 S1497 | I1229-H1495 WeakPolarHBondContact CD1-CE1 3.11Å; I1229-H1495 WeakPolarHBondContact CD1-NE2 3.34Å; H1495-S1497 PolarHBondContact O-N 3.07Å |
| 1496 | S | 37.9 | Very low | 38.3 | Very low | 61 Ų | 61 | 80 Ų | 80 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.8 | -24.3 | -165.2 | 45.4 | 0 | 0 | 0 | 0 | 115.6 | S1494 | S1494-S1496 PolarHBondContact O-N 3.18Å; S1494-S1496 PolarHBondContact OG-OG 3.44Å |
| 1497 | S | 32.6 | Very low | 40.3 | Very low | 53 Ų | 53 | 74.3 Ų | 74.3 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.3 | -49.7 | -176.8 | 65.9 | 0 | 0 | 0 | 0 | 113 | H1495 S1499 M1500 E1501 | H1495-S1497 PolarHBondContact O-N 3.07Å; S1497-S1499 VanDerWaalsContact C-N 3.29Å; S1497-S1499 PolarHBondContact O-N 2.92Å; S1497-M1500 WeakPolarHBondContact O-CB 3.36Å; S1497-M1500 PolarHBondContact O-N 3.34Å; S1497-E1501 PolarHBondContact O-N 3.35Å |
| 1498 | V | 35.9 | Very low | 42.3 | Very low | 23 Ų | 23 | 69.4 Ų | 69.4 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53.1 | -46.6 | -176 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L1232 K1233 L1236 M1500 E1501 I1502 | L1232-V1498 HydrophobicContact CD1-CG1 4.43Å; L1232-V1498 HydrophobicContact CD2-CG1 3.63Å; L1232-V1498 HydrophobicContact CD2-CG2 4.43Å; K1233-V1498 HydrophobicContact CG-CG2 4.1Å; L1236-V1498 HydrophobicContact CD1-CB 4.31Å; L1236-V1498 HydrophobicContact CD1-CG1 3.95Å; L1236-V1498 HydrophobicContact CD1-CG2 4.13Å; V1498-M1500 VanDerWaalsContact C-N 3.32Å; V1498-M1500 PolarHBondContact O-N 3.01Å; V1498-E1501 PolarHBondContact O-N 2.76Å; V1498-I1502 HydrophobicContact CG1-CD1 4.06Å; V1498-I1502 WeakPolarHBondContact O-CG1 3.3Å; V1498-I1502 PolarHBondContact O-N 3.24Å; V1498-I1502 VanDerWaalsContact O-N 3.1Å |
| 1499 | S | 50.2 | Low | 43.9 | Very low | 30 Ų | 30 | 62.4 Ų | 62.4 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.5 | -17.1 | -175.7 | -164 | 0 | 0 | 0 | 0 | 113.3 | F1425 S1497 C1503 | F1425-S1499 WeakPolarHBondContact CD2-OG 3.37Å; F1425-S1499 VanDerWaalsContact CE1-C 3.5Å; F1425-S1499 VanDerWaalsContact CE1-O 3.27Å; F1425-S1499 WeakPolarHBondContact CE1-O 3.45Å; F1425-S1499 WeakPolarHBondContact CE2-OG 3.39Å; F1425-S1499 WeakPolarHBondContact CG-OG 3.41Å; F1425-S1499 VanDerWaalsContact CZ-CB 3.41Å; S1497-S1499 VanDerWaalsContact C-N 3.29Å; S1497-S1499 PolarHBondContact O-N 2.92Å; S1499-C1503 PolarHBondContact O-N 3.38Å; S1499-C1503 VanDerWaalsContact O-N 3.1Å |
| 1500 | M | 53.6 | Low | 45.9 | Very low | 53 Ų | 53 | 58.1 Ų | 58.1 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 167.3 | -155.8 | 80.8 | 160.6 | 0 | 0 | 110.6 | L1430 A1433 S1497 V1498 C1503 N1504 | L1430-M1500 HydrophobicContact CD2-CE 3.42Å; L1430-M1500 VanDerWaalsContact CD2-CE 3.42Å; L1430-M1500 HydrophobicContact CD2-SD 3.54Å; L1430-M1500 VanDerWaalsContact CD2-SD 3.54Å; L1430-M1500 HydrophobicContact CG-CE 4.18Å; L1430-M1500 HydrophobicContact CG-SD 3.68Å; A1433-M1500 HydrophobicContact CB-CE 4.49Å; S1497-M1500 WeakPolarHBondContact O-CB 3.36Å; S1497-M1500 PolarHBondContact O-N 3.34Å; V1498-M1500 VanDerWaalsContact C-N 3.32Å; V1498-M1500 PolarHBondContact O-N 3.01Å; M1500-C1503 PolarHBondContact O-N 3.1Å; M1500-N1504 WeakPolarHBondContact O-CB 3.19Å; M1500-N1504 PolarHBondContact O-N 3.28Å; M1500-N1504 PolarHBondContact O-ND2 3.46Å |
| 1501 | E | 49.7 | Very low | 47.8 | Very low | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 178.4 | -69.4 | 163.3 | -151.4 | 0 | 0 | 111.7 | L1236 S1497 V1498 N1504 L1505 | L1236-E1501 WeakPolarHBondContact CB-OE2 3.32Å; L1236-E1501 WeakPolarHBondContact CD1-OE2 3.37Å; S1497-E1501 PolarHBondContact O-N 3.35Å; V1498-E1501 PolarHBondContact O-N 2.76Å; E1501-N1504 PolarHBondContact O-N 2.83Å; E1501-L1505 WeakPolarHBondContact O-CB 3.45Å; E1501-L1505 PolarHBondContact O-N 3.36Å |
| 1502 | I | 52.7 | Low | 49.4 | Very low | 44 Ų | 44 | 51.1 Ų | 51.1 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 170.4 | -72 | 175.2 | 0 | 0 | 0 | 111.3 | L1380 V1498 L1505 I1506 | L1380-I1502 HydrophobicContact CD1-CB 4.48Å; L1380-I1502 HydrophobicContact CD1-CD1 4.02Å; L1380-I1502 HydrophobicContact CD1-CG1 3.76Å; L1380-I1502 HydrophobicContact CD1-CG2 4.19Å; L1380-I1502 HydrophobicContact CD2-CB 4.43Å; L1380-I1502 HydrophobicContact CD2-CG1 4.42Å; L1380-I1502 HydrophobicContact CD2-CG2 4.08Å; V1498-I1502 HydrophobicContact CG1-CD1 4.06Å; V1498-I1502 WeakPolarHBondContact O-CG1 3.3Å; V1498-I1502 PolarHBondContact O-N 3.24Å; V1498-I1502 VanDerWaalsContact O-N 3.1Å; I1502-L1505 PolarHBondContact O-N 2.84Å; I1502-I1506 HydrophobicContact CG2-CD1 4.04Å; I1502-I1506 WeakPolarHBondContact O-CG1 3.38Å; I1502-I1506 PolarHBondContact O-N 3.43Å |
| 1503 | C | 61.5 | Low | 50.8 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -38 | 178.1 | -80.9 | 0 | 0 | 0 | 0 | 112.6 | F1422 F1425 L1430 S1499 M1500 L1505 I1506 E1507 | F1422-C1503 HydrophobicContact CD2-CB 4.08Å; F1422-C1503 WeakPolarHBondContact CD2-SG 3.48Å; F1422-C1503 HydrophobicContact CE2-CB 3.82Å; F1422-C1503 WeakPolarHBondContact CE2-O 3.24Å; F1425-C1503 HydrophobicContact CD1-CB 4.23Å; F1425-C1503 WeakPolarHBondContact CD1-SG 3.46Å; L1430-C1503 HydrophobicContact CD1-CB 3.48Å; L1430-C1503 VanDerWaalsContact CD1-CB 3.48Å; S1499-C1503 PolarHBondContact O-N 3.38Å; S1499-C1503 VanDerWaalsContact O-N 3.1Å; M1500-C1503 PolarHBondContact O-N 3.1Å; C1503-L1505 VanDerWaalsContact C-N 3.26Å; C1503-L1505 PolarHBondContact O-N 3.45Å; C1503-I1506 PolarHBondContact O-N 3.25Å; C1503-E1507 WeakPolarHBondContact O-CB 3.46Å; C1503-E1507 PolarHBondContact O-N 3Å |
| 1504 | N | 61.7 | Low | 52.2 | Low | 51 Ų | 51 | 38.3 Ų | 38.3 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 172.6 | -70.8 | -18 | 0 | 0 | 0 | 111.6 | M1500 E1501 N1508 | M1500-N1504 WeakPolarHBondContact O-CB 3.19Å; M1500-N1504 PolarHBondContact O-N 3.28Å; M1500-N1504 PolarHBondContact O-ND2 3.46Å; E1501-N1504 PolarHBondContact O-N 2.83Å; N1504-N1508 WeakPolarHBondContact O-CB 3.42Å; N1504-N1508 VanDerWaalsContact O-CG 3.25Å; N1504-N1508 PolarHBondContact O-N 3.11Å; N1504-N1508 PolarHBondContact O-ND2 3.43Å |
| 1505 | L | 62.8 | Low | 53 | Low | 34 Ų | 34 | 36.3 Ų | 36.3 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70 | -46.6 | 176.3 | -166 | 72.2 | 0 | 0 | 0 | 111.2 | L1373 L1377 L1380 E1501 I1502 C1503 L1509 | L1373-L1505 HydrophobicContact CD1-CD1 3.59Å; L1377-L1505 HydrophobicContact CB-CD2 4.26Å; L1380-L1505 HydrophobicContact CB-CD2 4.27Å; L1380-L1505 HydrophobicContact CD2-CB 4.4Å; L1380-L1505 HydrophobicContact CD2-CD2 3.78Å; E1501-L1505 WeakPolarHBondContact O-CB 3.45Å; E1501-L1505 PolarHBondContact O-N 3.36Å; I1502-L1505 PolarHBondContact O-N 2.84Å; C1503-L1505 VanDerWaalsContact C-N 3.26Å; C1503-L1505 PolarHBondContact O-N 3.45Å; L1505-L1509 WeakPolarHBondContact O-CB 3.39Å; L1505-L1509 PolarHBondContact O-N 2.95Å |
| 1506 | I | 65.4 | Low | 53.5 | Low | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 178 | -66.8 | 168.3 | 0 | 0 | 0 | 111.2 | L1377 L1380 F1422 I1502 C1503 L1509 L1510 | L1377-I1506 HydrophobicContact CD1-CG1 4.01Å; L1380-I1506 HydrophobicContact CD2-CD1 4.12Å; L1380-I1506 HydrophobicContact CD2-CG1 3.98Å; F1422-I1506 HydrophobicContact CB-CD1 4.32Å; F1422-I1506 HydrophobicContact CB-CG2 4.4Å; F1422-I1506 HydrophobicContact CD1-CG2 4.29Å; F1422-I1506 HydrophobicContact CD2-CB 3.63Å; F1422-I1506 HydrophobicContact CD2-CD1 4.04Å; F1422-I1506 HydrophobicContact CD2-CG1 4.44Å; F1422-I1506 HydrophobicContact CD2-CG2 3.42Å; F1422-I1506 VanDerWaalsContact CD2-CG2 3.42Å; F1422-I1506 HydrophobicContact CE2-CB 3.81Å; F1422-I1506 HydrophobicContact CE2-CG2 3.68Å; F1422-I1506 HydrophobicContact CG-CB 4.43Å; F1422-I1506 HydrophobicContact CG-CG2 3.77Å; F1422-I1506 HydrophobicContact CZ-CG2 4.23Å; I1502-I1506 HydrophobicContact CG2-CD1 4.04Å; I1502-I1506 WeakPolarHBondContact O-CG1 3.38Å; I1502-I1506 PolarHBondContact O-N 3.43Å; C1503-I1506 PolarHBondContact O-N 3.25Å; I1506-L1509 PolarHBondContact O-N 2.82Å; I1506-L1510 HydrophobicContact CG2-CD1 3.67Å; I1506-L1510 HydrophobicContact CG2-CG 4.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.47Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.19Å; I1506-L1510 PolarHBondContact O-N 2.98Å |
| 1507 | E | 68.6 | Low | 53.5 | Low | 18 Ų | 18 | 34.2 Ų | 34.2 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -48.9 | 176.3 | -173.1 | -179.2 | 159.5 | 0 | 0 | 111.1 | F1422 Y1426 C1503 L1509 L1510 N1511 | F1422-E1507 HydrophobicContact CE2-CB 4.38Å; F1422-E1507 HydrophobicContact CZ-CB 4.23Å; Y1426-E1507 WeakPolarHBondContact CE2-OE2 3.39Å; C1503-E1507 WeakPolarHBondContact O-CB 3.46Å; C1503-E1507 PolarHBondContact O-N 3Å; E1507-L1509 VanDerWaalsContact C-N 3.25Å; E1507-L1509 PolarHBondContact O-N 2.81Å; E1507-L1510 PolarHBondContact O-N 3.3Å; E1507-N1511 WeakPolarHBondContact O-CB 3.41Å; E1507-N1511 PolarHBondContact O-N 3.36Å; E1507-N1511 PolarHBondContact O-ND2 2.89Å; E1507-N1511 VanDerWaalsContact O-ND2 3.11Å |
| 1508 | N | 64 | Low | 53.6 | Low | 33 Ų | 33 | 38.2 Ų | 38.2 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 174.9 | -78.7 | -49.1 | 0 | 0 | 0 | 112.1 | N1504 N1512 | N1504-N1508 WeakPolarHBondContact O-CB 3.42Å; N1504-N1508 VanDerWaalsContact O-CG 3.25Å; N1504-N1508 PolarHBondContact O-N 3.11Å; N1504-N1508 PolarHBondContact O-ND2 3.43Å; N1508-N1512 WeakPolarHBondContact O-CB 2.95Å; N1508-N1512 PolarHBondContact O-N 3.49Å; N1508-N1512 PolarHBondContact O-ND2 3.46Å; N1508-N1512 VanDerWaalsContact O-ND2 3.09Å |
| 1509 | L | 58 | Low | 53.4 | Low | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.9 | -43.9 | 178.6 | -169.6 | 122.2 | 0 | 0 | 0 | 112.7 | L1373 L1377 L1505 I1506 E1507 N1511 N1512 L1513 L1638 | L1373-L1509 HydrophobicContact CD2-CD1 4.48Å; L1373-L1509 HydrophobicContact CG-CD1 4.32Å; L1377-L1509 HydrophobicContact CB-CD1 3.56Å; L1377-L1509 HydrophobicContact CD1-CB 3.86Å; L1377-L1509 HydrophobicContact CD1-CD1 3.84Å; L1377-L1509 HydrophobicContact CD1-CD2 3.77Å; L1377-L1509 HydrophobicContact CD1-CG 3.99Å; L1377-L1509 HydrophobicContact CD2-CD1 3.64Å; L1377-L1509 HydrophobicContact CD2-CD2 3.49Å; L1377-L1509 VanDerWaalsContact CD2-CD2 3.49Å; L1377-L1509 HydrophobicContact CD2-CG 4.11Å; L1377-L1509 HydrophobicContact CG-CD1 3.83Å; L1377-L1509 HydrophobicContact CG-CD2 4.15Å; L1377-L1509 HydrophobicContact CG-CG 4.41Å; L1505-L1509 WeakPolarHBondContact O-CB 3.39Å; L1505-L1509 PolarHBondContact O-N 2.95Å; I1506-L1509 PolarHBondContact O-N 2.82Å; E1507-L1509 VanDerWaalsContact C-N 3.25Å; E1507-L1509 PolarHBondContact O-N 2.81Å; L1509-N1511 VanDerWaalsContact C-N 3.27Å; L1509-N1511 PolarHBondContact O-N 3.37Å; L1509-N1512 PolarHBondContact O-N 2.77Å; L1509-L1513 HydrophobicContact CD1-CD1 3.29Å; L1509-L1513 HydrophobicContact CD1-CG 4.29Å; L1509-L1513 HydrophobicContact CD2-CD1 4.02Å; L1509-L1513 HydrophobicContact CG-CB 4.32Å; L1509-L1513 HydrophobicContact CG-CD1 3.42Å; L1509-L1513 VanDerWaalsContact CG-CD1 3.42Å; L1509-L1513 HydrophobicContact CG-CG 3.98Å; L1509-L1513 VanDerWaalsContact O-CB 3.3Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 PolarHBondContact O-N 2.84Å; L1509-L1638 HydrophobicContact CD2-CD1 4.36Å |
| 1510 | L | 63.4 | Low | 52.5 | Low | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 173.7 | -67.9 | 167.9 | 0 | 0 | 0 | 110.7 | L1419 I1506 E1507 L1514 L1531 L1638 | L1419-L1510 HydrophobicContact CD1-CD1 4.34Å; I1506-L1510 HydrophobicContact CG2-CD1 3.67Å; I1506-L1510 HydrophobicContact CG2-CG 4.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.47Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.19Å; I1506-L1510 PolarHBondContact O-N 2.98Å; E1507-L1510 PolarHBondContact O-N 3.3Å; L1510-L1514 HydrophobicContact CB-CD1 4.39Å; L1510-L1514 HydrophobicContact CD2-CD1 3.95Å; L1510-L1514 VanDerWaalsContact O-CB 3.3Å; L1510-L1514 WeakPolarHBondContact O-CB 3.05Å; L1510-L1514 VanDerWaalsContact O-CG 3.3Å; L1510-L1514 WeakPolarHBondContact O-CG 3.23Å; L1510-L1514 PolarHBondContact O-N 3.31Å; L1510-L1531 HydrophobicContact CB-CD2 3.95Å; L1510-L1531 HydrophobicContact CD1-CD1 4.14Å; L1510-L1531 HydrophobicContact CD1-CD2 3.58Å; L1510-L1531 HydrophobicContact CG-CD2 4.4Å; L1510-L1638 HydrophobicContact CD2-CD1 4.49Å |
| 1511 | N | 62.6 | Low | 51.4 | Low | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 171.7 | -74.1 | -30.5 | 0 | 0 | 0 | 113 | E1507 L1509 K1528 | E1507-N1511 WeakPolarHBondContact O-CB 3.41Å; E1507-N1511 PolarHBondContact O-N 3.36Å; E1507-N1511 PolarHBondContact O-ND2 2.89Å; E1507-N1511 VanDerWaalsContact O-ND2 3.11Å; L1509-N1511 VanDerWaalsContact C-N 3.27Å; L1509-N1511 PolarHBondContact O-N 3.37Å; N1511-K1528 WeakPolarHBondContact OD1-CD 3.48Å; N1511-K1528 WeakPolarHBondContact OD1-CE 3.25Å; N1511-K1528 WeakPolarHBondContact OD1-CG 3.48Å; N1511-K1528 PolarHBondContact OD1-NZ 3.01Å |
| 1512 | N | 55.4 | Low | 50.6 | Low | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -85.3 | -38.1 | -172.2 | -70 | -24.4 | 0 | 0 | 0 | 113.2 | L1370 L1373 N1508 L1509 G1515 G1516 | L1370-N1512 HydrophobicContact CD2-CB 4.05Å; L1373-N1512 HydrophobicContact CD2-CB 4.37Å; L1373-N1512 WeakPolarHBondContact CD2-ND2 3.48Å; N1508-N1512 WeakPolarHBondContact O-CB 2.95Å; N1508-N1512 PolarHBondContact O-N 3.49Å; N1508-N1512 PolarHBondContact O-ND2 3.46Å; N1508-N1512 VanDerWaalsContact O-ND2 3.09Å; L1509-N1512 PolarHBondContact O-N 2.77Å; N1512-G1515 CarbonylContact O-C 3.55Å; N1512-G1515 PolarHBondContact O-N 3.24Å; N1512-G1516 PolarHBondContact O-N 3.19Å |
| 1513 | L | 53.3 | Low | 50.2 | Low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -99.2 | -7.9 | -168.1 | -60.4 | -175 | 0 | 0 | 0 | 113.8 | L1370 L1374 L1509 G1515 F1641 | L1370-L1513 HydrophobicContact CD2-CD2 4.31Å; L1374-L1513 HydrophobicContact CD1-CD1 4.43Å; L1509-L1513 HydrophobicContact CD1-CD1 3.29Å; L1509-L1513 HydrophobicContact CD1-CG 4.29Å; L1509-L1513 HydrophobicContact CD2-CD1 4.02Å; L1509-L1513 HydrophobicContact CG-CB 4.32Å; L1509-L1513 HydrophobicContact CG-CD1 3.42Å; L1509-L1513 VanDerWaalsContact CG-CD1 3.42Å; L1509-L1513 HydrophobicContact CG-CG 3.98Å; L1509-L1513 VanDerWaalsContact O-CB 3.3Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 PolarHBondContact O-N 2.84Å; L1513-G1515 VanDerWaalsContact C-N 3.35Å; L1513-F1641 HydrophobicContact CB-CD1 4.22Å; L1513-F1641 HydrophobicContact CB-CD2 3.94Å; L1513-F1641 HydrophobicContact CB-CE1 3.91Å; L1513-F1641 HydrophobicContact CB-CE2 3.6Å; L1513-F1641 HydrophobicContact CB-CG 4.26Å; L1513-F1641 HydrophobicContact CB-CZ 3.61Å; L1513-F1641 HydrophobicContact CD1-CD1 4.38Å; L1513-F1641 HydrophobicContact CD1-CE1 3.4Å; L1513-F1641 HydrophobicContact CD1-CE2 4.14Å; L1513-F1641 HydrophobicContact CD1-CZ 3.27Å; L1513-F1641 HydrophobicContact CD2-CE2 4.15Å; L1513-F1641 HydrophobicContact CD2-CZ 3.93Å; L1513-F1641 HydrophobicContact CG-CE1 4.18Å; L1513-F1641 HydrophobicContact CG-CE2 4.15Å; L1513-F1641 HydrophobicContact CG-CZ 3.76Å; L1513-F1641 WeakPolarHBondContact O-CD2 3.33Å |
| 1514 | L | 54.1 | Low | 49.6 | Very low | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -93 | -2.6 | 156.1 | -47.8 | 178.9 | 0 | 0 | 0 | 111.1 | L1510 L1527 | L1510-L1514 HydrophobicContact CB-CD1 4.39Å; L1510-L1514 HydrophobicContact CD2-CD1 3.95Å; L1510-L1514 VanDerWaalsContact O-CB 3.3Å; L1510-L1514 WeakPolarHBondContact O-CB 3.05Å; L1510-L1514 VanDerWaalsContact O-CG 3.3Å; L1510-L1514 WeakPolarHBondContact O-CG 3.23Å; L1510-L1514 PolarHBondContact O-N 3.31Å; L1514-L1527 HydrophobicContact CB-CB 3.98Å; L1514-L1527 HydrophobicContact CB-CD1 3.98Å; L1514-L1527 HydrophobicContact CD1-CB 3.72Å; L1514-L1527 HydrophobicContact CD1-CD1 4.31Å; L1514-L1527 HydrophobicContact CD1-CD2 4.39Å; L1514-L1527 HydrophobicContact CD1-CG 4.36Å; L1514-L1527 HydrophobicContact CD2-CD1 4.3Å; L1514-L1527 HydrophobicContact CG-CB 4.41Å; L1514-L1527 HydrophobicContact CG-CD1 4.4Å |
| 1515 | G | 40.7 | Very low | 49.2 | Very low | 26 Ų | 26 | 54.4 Ų | 54.4 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -109.4 | -4.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | N1512 L1513 Q1524 | N1512-G1515 CarbonylContact O-C 3.55Å; N1512-G1515 PolarHBondContact O-N 3.24Å; L1513-G1515 VanDerWaalsContact C-N 3.35Å; G1515-Q1524 VanDerWaalsContact O-CD 3.22Å; G1515-Q1524 PolarHBondContact O-NE2 3.35Å; G1515-Q1524 PolarHBondContact O-OE1 2.84Å |
| 1516 | G | 39.1 | Very low | 49.3 | Very low | 30 Ų | 30 | 56.9 Ų | 56.9 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | trans | -179.7 | 105.7 | 179 | 0 | 0 | 0 | 0 | 0 | 118.2 | N1512 | N1512-G1516 PolarHBondContact O-N 3.19Š| ||
| 1517 | V | 38.7 | Very low | 49.5 | Very low | 107 Ų | 107 | 57.2 Ų | 57.2 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | S | Bend | -135.8 | 150.4 | 123.4 | -169 | 0 | 0 | 0 | 0 | 105.5 | |||
| 1518 | D | 33.4 | Very low | 49.6 | Very low | 138 Ų | 138 | 59.9 Ų | 59.9 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -69.9 | 163.6 | -157 | -51.6 | -85.7 | 0 | 0 | 0 | 116.6 | ||
| 1519 | N | 33.5 | Very low | 50.2 | Low | 162 Ų | 162 | 63.4 Ų | 63.4 | 87% | 0.866 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 76.9 | 37.8 | 166.1 | -58 | -28.8 | 0 | 0 | 0 | 119.6 | ||
| 1520 | C | 30.8 | Very low | 51.4 | Low | 116 Ų | 116 | 66.2 Ų | 66.2 | 78% | 0.784 | 41% | 0.413 | S | S | * | . | trans | -137.8 | 120.3 | 148.8 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1521 | G | 30.2 | Very low | 52.3 | Low | 88 Ų | 88 | 65.9 Ų | 65.9 | 91% | 0.907 | 41% | 0.411 | S | S | * | . | trans | -78.7 | 138.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1522 | G | 32.7 | Very low | 53.3 | Low | 58 Ų | 58 | 67.2 Ų | 67.2 | 60% | 0.598 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 122.3 | -70.1 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1524 | G1522-Q1524 VanDerWaalsContact C-N 3.25Å; G1522-Q1524 PolarHBondContact O-N 3.34Å |
| 1523 | G | 44 | Very low | 54.7 | Low | 38 Ų | 38 | 69 Ų | 69 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 6.4 | -158.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 1524 | Q | 48.9 | Very low | 56.3 | Low | 104 Ų | 104 | 68.5 Ų | 68.5 | 49% | 0.486 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.1 | -37.4 | -174.1 | -67.5 | 178.9 | -7.7 | 0 | 0 | 113.2 | G1515 G1522 | G1515-Q1524 VanDerWaalsContact O-CD 3.22Å; G1515-Q1524 PolarHBondContact O-NE2 3.35Å; G1515-Q1524 PolarHBondContact O-OE1 2.84Å; G1522-Q1524 VanDerWaalsContact C-N 3.25Å; G1522-Q1524 PolarHBondContact O-N 3.34Å |
| 1525 | S | 52.8 | Low | 58 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 38% | 0.378 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.2 | 38.4 | 0 | 0 | 0 | 0 | 111.4 | L1527 K1528 H1529 | S1525-L1527 PolarHBondContact O-N 2.75Å; S1525-K1528 PolarHBondContact O-N 2.86Å; S1525-K1528 VanDerWaalsContact O-N 3.15Å; S1525-H1529 PolarHBondContact O-CD2 3.11Å; S1525-H1529 PolarHBondContact O-N 3.14Å |
| 1526 | D | 66.1 | Low | 60.1 | Low | 87 Ų | 87 | 68.8 Ų | 68.8 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.6 | -33.3 | -156.5 | -53.4 | -4.7 | 0 | 0 | 0 | 112.5 | K1530 | D1526-K1530 WeakPolarHBondContact O-CB 3.36Å; D1526-K1530 VanDerWaalsContact O-CG 3.32Å; D1526-K1530 WeakPolarHBondContact O-CG 3.44Å; D1526-K1530 PolarHBondContact O-N 3.11Å |
| 1527 | L | 69.5 | Low | 62.4 | Low | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.4 | -37.1 | 177.1 | -76.5 | 161.2 | 0 | 0 | 0 | 112.4 | L1514 S1525 L1531 F1633 L1634 Q1637 | L1514-L1527 HydrophobicContact CB-CB 3.98Å; L1514-L1527 HydrophobicContact CB-CD1 3.98Å; L1514-L1527 HydrophobicContact CD1-CB 3.72Å; L1514-L1527 HydrophobicContact CD1-CD1 4.31Å; L1514-L1527 HydrophobicContact CD1-CD2 4.39Å; L1514-L1527 HydrophobicContact CD1-CG 4.36Å; L1514-L1527 HydrophobicContact CD2-CD1 4.3Å; L1514-L1527 HydrophobicContact CG-CB 4.41Å; L1514-L1527 HydrophobicContact CG-CD1 4.4Å; S1525-L1527 PolarHBondContact O-N 2.75Å; L1527-L1531 PolarHBondContact O-N 3.41Å; L1527-L1531 VanDerWaalsContact O-N 3.11Å; L1527-F1633 HydrophobicContact CD2-CD1 4.31Å; L1527-F1633 HydrophobicContact CD2-CE1 3.48Å; L1527-F1633 VanDerWaalsContact CD2-CE1 3.48Å; L1527-F1633 HydrophobicContact CD2-CZ 4.03Å; L1527-L1634 HydrophobicContact CD2-CD2 4.12Å; L1527-Q1637 HydrophobicContact CD2-CB 4.26Å; L1527-Q1637 HydrophobicContact CD2-CG 3.91Å |
| 1528 | K | 70.9 | Confident | 64.8 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 171.6 | 177.6 | 173.3 | -177.8 | 165 | 0 | 111.1 | N1511 S1525 N1532 | N1511-K1528 WeakPolarHBondContact OD1-CD 3.48Å; N1511-K1528 WeakPolarHBondContact OD1-CE 3.25Å; N1511-K1528 WeakPolarHBondContact OD1-CG 3.48Å; N1511-K1528 PolarHBondContact OD1-NZ 3.01Å; S1525-K1528 PolarHBondContact O-N 2.86Å; S1525-K1528 VanDerWaalsContact O-N 3.15Å; K1528-N1532 PolarHBondContact O-N 3.1Å; K1528-N1532 VanDerWaalsContact O-N 3.14Å; K1528-N1532 PolarHBondContact O-ND2 3.42Å |
| 1529 | H | 76.4 | Confident | 67.3 | Low | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -55.4 | 174.2 | -72.7 | -60.8 | 0 | 0 | 0 | 110.7 | S1525 L1531 N1532 D1533 | S1525-H1529 PolarHBondContact O-CD2 3.11Å; S1525-H1529 PolarHBondContact O-N 3.14Å; H1529-L1531 VanDerWaalsContact C-N 3.27Å; H1529-L1531 PolarHBondContact O-N 3.1Å; H1529-L1531 VanDerWaalsContact O-N 3.11Å; H1529-N1532 CarbonylContact O-C 3.31Å; H1529-N1532 WeakPolarHBondContact O-CA 3.47Å; H1529-N1532 PolarHBondContact O-N 2.91Å; H1529-D1533 WeakPolarHBondContact O-CB 3.37Å; H1529-D1533 PolarHBondContact O-N 3.17Å; H1529-D1533 VanDerWaalsContact O-OD2 3.08Å |
| 1530 | K | 82.5 | Confident | 69.6 | Low | 61 Ų | 61 | 60.3 Ų | 60.3 | 27% | 0.265 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -48.6 | -42.9 | 175.5 | -80.9 | 169.4 | 167.9 | -75.7 | 0 | 114 | D1526 L1534 E1630 F1633 L1634 | D1526-K1530 WeakPolarHBondContact O-CB 3.36Å; D1526-K1530 VanDerWaalsContact O-CG 3.32Å; D1526-K1530 WeakPolarHBondContact O-CG 3.44Å; D1526-K1530 PolarHBondContact O-N 3.11Å; K1530-L1534 WeakPolarHBondContact O-CB 3.36Å; K1530-L1534 PolarHBondContact O-N 2.56Å; K1530-E1630 IonicContact NZ-OE1 2.62Å; K1530-E1630 PolarHBondContact NZ-OE1 3.48Å; K1530-E1630 IonicContact NZ-OE2 3.95Å; K1530-E1630 PolarHBondContact NZ-OE2 2.95Å; K1530-F1633 HydrophobicContact CD-CD1 3.83Å; K1530-F1633 HydrophobicContact CD-CE1 3.5Å; K1530-L1634 HydrophobicContact CB-CD2 4.3Å |
| 1531 | L | 83.6 | Confident | 72.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.3 | -176 | 70 | 0 | 0 | 0 | 112.2 | L1419 F1422 L1510 L1527 H1529 L1535 L1634 | L1419-L1531 HydrophobicContact CD1-CD1 4.31Å; F1422-L1531 HydrophobicContact CE1-CD1 4.14Å; F1422-L1531 HydrophobicContact CE1-CD2 4.41Å; L1510-L1531 HydrophobicContact CB-CD2 3.95Å; L1510-L1531 HydrophobicContact CD1-CD1 4.14Å; L1510-L1531 HydrophobicContact CD1-CD2 3.58Å; L1510-L1531 HydrophobicContact CG-CD2 4.4Å; L1527-L1531 PolarHBondContact O-N 3.41Å; L1527-L1531 VanDerWaalsContact O-N 3.11Å; H1529-L1531 VanDerWaalsContact C-N 3.27Å; H1529-L1531 PolarHBondContact O-N 3.1Å; H1529-L1531 VanDerWaalsContact O-N 3.11Å; L1531-L1535 HydrophobicContact CG-CD1 4.26Å; L1531-L1535 WeakPolarHBondContact O-CB 3.2Å; L1531-L1535 WeakPolarHBondContact O-CG 3.4Å; L1531-L1535 PolarHBondContact O-N 3.3Å; L1531-L1634 HydrophobicContact CB-CD1 4.38Å; L1531-L1634 HydrophobicContact CD1-CD1 4.03Å |
| 1532 | N | 81.9 | Confident | 74.9 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.2 | -34.5 | -179.8 | -77.5 | -81.9 | 0 | 0 | 0 | 112.7 | K1528 H1529 T1536 | K1528-N1532 PolarHBondContact O-N 3.1Å; K1528-N1532 VanDerWaalsContact O-N 3.14Å; K1528-N1532 PolarHBondContact O-ND2 3.42Å; H1529-N1532 CarbonylContact O-C 3.31Å; H1529-N1532 WeakPolarHBondContact O-CA 3.47Å; H1529-N1532 PolarHBondContact O-N 2.91Å; N1532-T1536 VanDerWaalsContact O-CB 3.28Å; N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3Å; N1532-T1536 PolarHBondContact O-OG1 3.48Å |
| 1533 | D | 84.7 | Confident | 77.5 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -48.8 | 174 | -64.3 | -36.5 | 0 | 0 | 0 | 109.7 | H1529 T1536 I1537 | H1529-D1533 WeakPolarHBondContact O-CB 3.37Å; H1529-D1533 PolarHBondContact O-N 3.17Å; H1529-D1533 VanDerWaalsContact O-OD2 3.08Å; D1533-T1536 CarbonylContact O-C 3.52Å; D1533-T1536 WeakPolarHBondContact O-CA 3.48Å; D1533-T1536 VanDerWaalsContact O-CB 3.3Å; D1533-T1536 WeakPolarHBondContact O-CB 3.5Å; D1533-T1536 PolarHBondContact O-N 2.9Å; D1533-I1537 VanDerWaalsContact O-CG1 3.31Å; D1533-I1537 WeakPolarHBondContact O-CG1 3.05Å; D1533-I1537 PolarHBondContact O-N 3.45Å |
| 1534 | L | 88.5 | Confident | 79.4 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.3 | -170.6 | 125.5 | 0 | 0 | 0 | 112 | I1423 K1530 T1536 I1537 F1538 E1627 E1630 I1631 | I1423-L1534 HydrophobicContact CD1-CD2 3.36Å; I1423-L1534 HydrophobicContact CG1-CD2 4.01Å; K1530-L1534 WeakPolarHBondContact O-CB 3.36Å; K1530-L1534 PolarHBondContact O-N 2.56Å; L1534-T1536 PolarHBondContact O-N 3.44Å; L1534-I1537 PolarHBondContact O-N 3.47Å; L1534-I1537 VanDerWaalsContact O-N 3.11Å; L1534-F1538 HydrophobicContact CD1-CE2 4.21Å; L1534-F1538 HydrophobicContact CD2-CD2 3.74Å; L1534-F1538 HydrophobicContact CD2-CE2 3.69Å; L1534-F1538 HydrophobicContact CG-CD2 3.83Å; L1534-F1538 HydrophobicContact CG-CE2 3.79Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.05Å; L1534-F1538 PolarHBondContact O-N 2.89Å; L1534-E1627 HydrophobicContact CD1-CB 4.35Å; L1534-E1630 HydrophobicContact CD1-CB 3.43Å; L1534-E1630 VanDerWaalsContact CD1-CB 3.43Å; L1534-I1631 HydrophobicContact CD1-CG1 3.99Å; L1534-I1631 HydrophobicContact CD2-CD1 4.38Å; L1534-I1631 HydrophobicContact CD2-CG1 3.88Å |
| 1535 | L | 88.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.4 | -37.6 | 171.2 | -75.2 | 173.2 | 0 | 0 | 0 | 111.8 | F1422 I1423 Y1426 L1531 Q1539 | F1422-L1535 HydrophobicContact CE1-CD1 4.33Å; F1422-L1535 HydrophobicContact CE1-CD2 4.39Å; I1423-L1535 HydrophobicContact CB-CD2 4.33Å; I1423-L1535 HydrophobicContact CG1-CD2 4.12Å; I1423-L1535 HydrophobicContact CG2-CD2 4.23Å; Y1426-L1535 HydrophobicContact CD1-CD1 4.17Å; Y1426-L1535 HydrophobicContact CD1-CD2 3.85Å; Y1426-L1535 HydrophobicContact CD1-CG 4.45Å; Y1426-L1535 HydrophobicContact CD2-CD1 3.94Å; Y1426-L1535 HydrophobicContact CD2-CD2 4.25Å; Y1426-L1535 HydrophobicContact CE1-CD1 4.18Å; Y1426-L1535 HydrophobicContact CE2-CD1 3.93Å; Y1426-L1535 HydrophobicContact CG-CD1 4.07Å; Y1426-L1535 HydrophobicContact CG-CD2 3.67Å; Y1426-L1535 HydrophobicContact CG-CG 4.48Å; L1531-L1535 HydrophobicContact CG-CD1 4.26Å; L1531-L1535 WeakPolarHBondContact O-CB 3.2Å; L1531-L1535 WeakPolarHBondContact O-CG 3.4Å; L1531-L1535 PolarHBondContact O-N 3.3Å; L1535-Q1539 WeakPolarHBondContact O-CB 3.15Å; L1535-Q1539 WeakPolarHBondContact O-CG 3.15Å; L1535-Q1539 PolarHBondContact O-N 3.21Å; L1535-Q1539 VanDerWaalsContact O-N 3.12Å; L1535-Q1539 PolarHBondContact O-NE2 3.45Å |
| 1536 | T | 85.4 | Confident | 83.1 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.6 | -36.8 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | N1532 D1533 L1534 Q1539 K1540 | N1532-T1536 VanDerWaalsContact O-CB 3.28Å; N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3Å; N1532-T1536 PolarHBondContact O-OG1 3.48Å; D1533-T1536 CarbonylContact O-C 3.52Å; D1533-T1536 WeakPolarHBondContact O-CA 3.48Å; D1533-T1536 VanDerWaalsContact O-CB 3.3Å; D1533-T1536 WeakPolarHBondContact O-CB 3.5Å; D1533-T1536 PolarHBondContact O-N 2.9Å; L1534-T1536 PolarHBondContact O-N 3.44Å; T1536-Q1539 PolarHBondContact O-N 3.46Å; T1536-K1540 HydrophobicContact CG2-CD 4.19Å; T1536-K1540 VanDerWaalsContact O-CG 3.28Å; T1536-K1540 WeakPolarHBondContact O-CG 3.4Å; T1536-K1540 PolarHBondContact O-N 2.86Å |
| 1537 | I | 87 | Confident | 84.4 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.7 | -47.5 | 177.1 | -65.4 | 159.8 | 0 | 0 | 0 | 110.6 | D1533 L1534 Q1539 K1540 L1541 E1627 | D1533-I1537 VanDerWaalsContact O-CG1 3.31Å; D1533-I1537 WeakPolarHBondContact O-CG1 3.05Å; D1533-I1537 PolarHBondContact O-N 3.45Å; L1534-I1537 PolarHBondContact O-N 3.47Å; L1534-I1537 VanDerWaalsContact O-N 3.11Å; I1537-Q1539 PolarHBondContact O-N 2.63Å; I1537-K1540 PolarHBondContact O-N 2.66Å; I1537-L1541 HydrophobicContact CG2-CD1 3.66Å; I1537-L1541 HydrophobicContact CG2-CG 4.14Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.36Å; I1537-L1541 PolarHBondContact O-N 3.01Å; I1537-E1627 WeakPolarHBondContact CD1-OE2 3.41Å; I1537-E1627 VanDerWaalsContact CG2-CD 3.45Å; I1537-E1627 HydrophobicContact CG2-CG 3.83Å |
| 1538 | F | 88.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -33.1 | 174.3 | -84.7 | -85.6 | 0 | 0 | 0 | 112.9 | I1423 V1427 L1534 Q1542 L1543 F1548 L1551 E1627 I1631 | I1423-F1538 HydrophobicContact CG2-CB 4.04Å; I1423-F1538 HydrophobicContact CG2-CD1 4.24Å; I1423-F1538 HydrophobicContact CG2-CD2 3.91Å; I1423-F1538 HydrophobicContact CG2-CE2 4.47Å; I1423-F1538 HydrophobicContact CG2-CG 3.79Å; V1427-F1538 HydrophobicContact CG2-CB 3.87Å; L1534-F1538 HydrophobicContact CD1-CE2 4.21Å; L1534-F1538 HydrophobicContact CD2-CD2 3.74Å; L1534-F1538 HydrophobicContact CD2-CE2 3.69Å; L1534-F1538 HydrophobicContact CG-CD2 3.83Å; L1534-F1538 HydrophobicContact CG-CE2 3.79Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.05Å; L1534-F1538 PolarHBondContact O-N 2.89Å; F1538-Q1542 PolarHBondContact O-N 2.71Å; F1538-L1543 HydrophobicContact CD1-CD1 3.84Å; F1538-L1543 HydrophobicContact CD1-CD2 3.81Å; F1538-L1543 HydrophobicContact CD1-CG 4.34Å; F1538-L1543 HydrophobicContact CE1-CD1 4.34Å; F1538-L1543 HydrophobicContact CE1-CD2 3.66Å; F1538-F1548 HydrophobicContact CB-CZ 4.39Å; F1538-F1548 AromaticContact CD1-CE1 3.55Å; F1538-F1548 HydrophobicContact CD1-CE1 3.55Å; F1538-F1548 AromaticContact CD1-CZ 3.64Å; F1538-F1548 HydrophobicContact CD1-CZ 3.64Å; F1538-F1548 AromaticContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CZ 4.38Å; F1538-F1548 HydrophobicContact CG-CE1 4.39Å; F1538-F1548 HydrophobicContact CG-CZ 4.34Å; F1538-L1551 HydrophobicContact CE1-CD1 3.68Å; F1538-L1551 HydrophobicContact CZ-CD1 4.17Å; F1538-E1627 HydrophobicContact CE2-CB 3.59Å; F1538-E1627 HydrophobicContact CE2-CG 4.09Å; F1538-E1627 HydrophobicContact CZ-CB 3.77Å; F1538-E1627 HydrophobicContact CZ-CG 4.43Å; F1538-I1631 HydrophobicContact CE2-CD1 3.68Å; F1538-I1631 HydrophobicContact CZ-CD1 3.59Å |
| 1539 | Q | 85.7 | Confident | 86.5 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 23% | 0.229 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -41.2 | 171.1 | -73.9 | 170.8 | 41.3 | 0 | 0 | 113 | V1427 N1431 L1535 T1536 I1537 Q1542 | V1427-Q1539 HydrophobicContact CB-CG 4.47Å; V1427-Q1539 HydrophobicContact CG1-CG 4.24Å; V1427-Q1539 HydrophobicContact CG2-CG 3.97Å; N1431-Q1539 WeakPolarHBondContact ND2-CG 3.43Å; N1431-Q1539 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1539 PolarHBondContact OD1-OE1 3.02Å; L1535-Q1539 WeakPolarHBondContact O-CB 3.15Å; L1535-Q1539 WeakPolarHBondContact O-CG 3.15Å; L1535-Q1539 PolarHBondContact O-N 3.21Å; L1535-Q1539 VanDerWaalsContact O-N 3.12Å; L1535-Q1539 PolarHBondContact O-NE2 3.45Å; T1536-Q1539 PolarHBondContact O-N 3.46Å; I1537-Q1539 PolarHBondContact O-N 2.63Å; Q1539-Q1542 WeakPolarHBondContact O-CG 3.36Å; Q1539-Q1542 PolarHBondContact O-N 2.62Å |
| 1540 | K | 83.8 | Confident | 87.3 | Confident | 157 Ų | 157 | 42.5 Ų | 42.5 | 68% | 0.683 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66 | -41.3 | 177.1 | -76.3 | 167.1 | 177.1 | 173.3 | 0 | 112.3 | T1536 I1537 Q1542 | T1536-K1540 HydrophobicContact CG2-CD 4.19Å; T1536-K1540 VanDerWaalsContact O-CG 3.28Å; T1536-K1540 WeakPolarHBondContact O-CG 3.4Å; T1536-K1540 PolarHBondContact O-N 2.86Å; I1537-K1540 PolarHBondContact O-N 2.66Å; K1540-Q1542 PolarHBondContact O-N 3.33Å |
| 1541 | L | 86 | Confident | 87.9 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.5 | 178.9 | -67.8 | 171.5 | 0 | 0 | 0 | 113.7 | I1537 L1543 R1620 Q1623 I1624 E1627 | I1537-L1541 HydrophobicContact CG2-CD1 3.66Å; I1537-L1541 HydrophobicContact CG2-CG 4.14Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.36Å; I1537-L1541 PolarHBondContact O-N 3.01Å; L1541-L1543 HydrophobicContact CB-CD1 3.36Å; L1541-L1543 HydrophobicContact CD1-CD1 4.21Å; L1541-L1543 HydrophobicContact CG-CD1 4.44Å; L1541-L1543 PolarHBondContact O-N 3.46Å; L1541-R1620 PolarHBondContact O-NH2 2.8Å; L1541-Q1623 HydrophobicContact CD2-CB 4.15Å; L1541-I1624 HydrophobicContact CD1-CG1 4.02Å; L1541-E1627 HydrophobicContact CD1-CG 4.41Å |
| 1542 | Q | 85.1 | Confident | 88.3 | Confident | 122 Ų | 122 | 39.7 Ų | 39.7 | 57% | 0.57 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 50.1 | 177.6 | -58.1 | -175.9 | 25.2 | 0 | 0 | 113.7 | F1538 Q1539 K1540 D1544 F1591 | F1538-Q1542 PolarHBondContact O-N 2.71Å; Q1539-Q1542 WeakPolarHBondContact O-CG 3.36Å; Q1539-Q1542 PolarHBondContact O-N 2.62Å; K1540-Q1542 PolarHBondContact O-N 3.33Å; Q1542-D1544 PolarHBondContact O-N 3.36Å; Q1542-F1591 HydrophobicContact CB-CE2 4.21Å; Q1542-F1591 HydrophobicContact CB-CZ 3.99Å |
| 1543 | L | 87.7 | Confident | 88.9 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | trans | -65.1 | 134.4 | 178.2 | -76.6 | 76.7 | 0 | 0 | 0 | 110.9 | F1538 L1541 E1547 F1548 L1551 I1624 | F1538-L1543 HydrophobicContact CD1-CD1 3.84Å; F1538-L1543 HydrophobicContact CD1-CD2 3.81Å; F1538-L1543 HydrophobicContact CD1-CG 4.34Å; F1538-L1543 HydrophobicContact CE1-CD1 4.34Å; F1538-L1543 HydrophobicContact CE1-CD2 3.66Å; L1541-L1543 HydrophobicContact CB-CD1 3.36Å; L1541-L1543 HydrophobicContact CD1-CD1 4.21Å; L1541-L1543 HydrophobicContact CG-CD1 4.44Å; L1541-L1543 PolarHBondContact O-N 3.46Å; L1543-E1547 WeakPolarHBondContact CA-OE2 3.23Å; L1543-E1547 HydrophobicContact CB-CB 4.18Å; L1543-E1547 HydrophobicContact CD2-CB 4.19Å; L1543-E1547 HydrophobicContact CG-CB 4.21Å; L1543-F1548 HydrophobicContact CB-CD2 3.75Å; L1543-F1548 HydrophobicContact CB-CE2 3.5Å; L1543-F1548 VanDerWaalsContact CB-CE2 3.5Å; L1543-F1548 HydrophobicContact CB-CG 4.5Å; L1543-F1548 HydrophobicContact CB-CZ 4.04Å; L1543-F1548 WeakPolarHBondContact O-CE2 3.42Å; L1543-L1551 HydrophobicContact CD2-CD1 3.57Å; L1543-I1624 HydrophobicContact CD1-CD1 4.31Å; L1543-I1624 HydrophobicContact CD1-CG1 4.14Å; L1543-I1624 HydrophobicContact CD2-CG1 4.5Å; L1543-I1624 HydrophobicContact CD2-CG2 4.15Å; L1543-I1624 HydrophobicContact CG-CD1 4.24Å; L1543-I1624 HydrophobicContact CG-CG1 4.43Å | ||
| 1544 | D | 84.8 | Confident | 89.3 | Confident | 44 Ų | 44 | 34 Ų | 34 | 24% | 0.235 | 17% | 0.166 | C | C | . | . | trans | -89.5 | 167.3 | 171 | 72.4 | 60.4 | 0 | 0 | 0 | 112.9 | Q1542 K1546 E1547 F1548 R1587 | Q1542-D1544 PolarHBondContact O-N 3.36Å; D1544-K1546 PolarHBondContact O-N 3.32Å; D1544-K1546 WeakPolarHBondContact OD1-CA 3.4Å; D1544-K1546 VanDerWaalsContact OD1-CB 3.31Å; D1544-K1546 WeakPolarHBondContact OD1-CB 3.36Å; D1544-K1546 PolarHBondContact OD1-N 3.28Å; D1544-E1547 WeakPolarHBondContact O-CA 3.38Å; D1544-E1547 PolarHBondContact O-N 3.16Å; D1544-E1547 PolarHBondContact OD1-N 2.96Å; D1544-F1548 PolarHBondContact O-N 3.29Å; D1544-R1587 VanDerWaalsContact CG-NE 3.3Å; D1544-R1587 VanDerWaalsContact CG-NH2 3.32Å; D1544-R1587 IonicContact OD1-CZ 3.86Å; D1544-R1587 IonicContact OD1-NE 2.68Å; D1544-R1587 PolarHBondContact OD1-NE 3.41Å; D1544-R1587 IonicContact OD1-NH2 3.42Å; D1544-R1587 PolarHBondContact OD1-NH2 2.77Å; D1544-R1587 IonicContact OD2-CZ 2.63Å; D1544-R1587 IonicContact OD2-NE 3.84Å; D1544-R1587 PolarHBondContact OD2-NE 3.43Å; D1544-R1587 IonicContact OD2-NH2 2.66Å; D1544-R1587 PolarHBondContact OD2-NH2 3.17Å | ||
| 1545 | N | 88.1 | Confident | 89.5 | Confident | 65 Ų | 65 | 34.1 Ų | 34.1 | 35% | 0.348 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53.6 | -29.1 | -176.3 | -56.2 | 24.8 | 0 | 0 | 0 | 113.3 | T1549 | N1545-T1549 VanDerWaalsContact O-CB 3.31Å; N1545-T1549 WeakPolarHBondContact O-CB 3.12Å; N1545-T1549 PolarHBondContact O-N 3.48Å; N1545-T1549 PolarHBondContact O-OG1 3.06Å |
| 1546 | K | 90.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 34 Ų | 34 | 42% | 0.422 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -80.4 | -33.6 | 178.3 | -54.3 | -171.8 | -178.5 | -170.8 | 0 | 111.4 | D1544 T1549 C1550 F1583 | D1544-K1546 PolarHBondContact O-N 3.32Å; D1544-K1546 WeakPolarHBondContact OD1-CA 3.4Å; D1544-K1546 VanDerWaalsContact OD1-CB 3.31Å; D1544-K1546 WeakPolarHBondContact OD1-CB 3.36Å; D1544-K1546 PolarHBondContact OD1-N 3.28Å; K1546-T1549 PolarHBondContact O-N 2.76Å; K1546-C1550 PolarHBondContact O-N 3.29Å; K1546-C1550 PolarHBondContact O-SG 2.95Å; K1546-F1583 HydrophobicContact CB-CE1 4.46Å |
| 1547 | E | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 171.6 | -60.8 | -168.5 | 133.7 | 0 | 0 | 110.9 | L1543 D1544 T1549 C1550 L1551 L1584 R1587 R1620 | L1543-E1547 WeakPolarHBondContact CA-OE2 3.23Å; L1543-E1547 HydrophobicContact CB-CB 4.18Å; L1543-E1547 HydrophobicContact CD2-CB 4.19Å; L1543-E1547 HydrophobicContact CG-CB 4.21Å; D1544-E1547 WeakPolarHBondContact O-CA 3.38Å; D1544-E1547 PolarHBondContact O-N 3.16Å; D1544-E1547 PolarHBondContact OD1-N 2.96Å; E1547-T1549 VanDerWaalsContact C-N 3.32Å; E1547-T1549 PolarHBondContact O-N 2.9Å; E1547-C1550 WeakPolarHBondContact O-CB 3.16Å; E1547-C1550 PolarHBondContact O-N 3.45Å; E1547-C1550 VanDerWaalsContact O-N 3.14Å; E1547-L1551 PolarHBondContact O-N 3.48Å; E1547-L1584 HydrophobicContact CB-CD1 3.89Å; E1547-L1584 HydrophobicContact CG-CD1 3.98Å; E1547-R1587 HydrophobicContact CG-CB 4.25Å; E1547-R1587 HydrophobicContact CG-CG 3.74Å; E1547-R1587 WeakPolarHBondContact OE1-CG 3.45Å; E1547-R1620 IonicContact OE1-CZ 2.64Å; E1547-R1620 IonicContact OE1-NH1 3.94Å; E1547-R1620 PolarHBondContact OE1-NH1 2.71Å; E1547-R1620 IonicContact OE1-NH2 3.57Å; E1547-R1620 IonicContact OE2-CZ 3.67Å; E1547-R1620 IonicContact OE2-NH1 2.69Å; E1547-R1620 PolarHBondContact OE2-NH1 3.18Å; E1547-R1620 IonicContact OE2-NH2 2.71Å; E1547-R1620 PolarHBondContact OE2-NH2 3.19Å |
| 1548 | F | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 170.4 | -83.1 | -71.3 | 0 | 0 | 0 | 112.7 | L1420 I1423 H1424 V1427 F1538 L1543 D1544 L1551 K1552 | L1420-F1548 HydrophobicContact CD2-CD1 4.45Å; I1423-F1548 HydrophobicContact CG2-CE1 3.87Å; I1423-F1548 HydrophobicContact CG2-CZ 4.22Å; H1424-F1548 HydrophobicContact CB-CB 4.33Å; H1424-F1548 HydrophobicContact CB-CD1 3.77Å; H1424-F1548 HydrophobicContact CB-CD2 4.36Å; H1424-F1548 HydrophobicContact CB-CE1 4.09Å; H1424-F1548 HydrophobicContact CB-CG 3.91Å; H1424-F1548 HydrophobicContact CB-CZ 4.49Å; H1424-F1548 AromaticContact CD2-CD2 3.38Å; H1424-F1548 WeakPolarHBondContact CD2-CD2 3.22Å; H1424-F1548 AromaticContact CD2-CG 3.52Å; H1424-F1548 AromaticContact CG-CG 3.91Å; V1427-F1548 HydrophobicContact CB-CE2 4.49Å; V1427-F1548 HydrophobicContact CB-CZ 4.28Å; V1427-F1548 HydrophobicContact CG1-CE2 4.42Å; V1427-F1548 HydrophobicContact CG2-CZ 4.27Å; F1538-F1548 HydrophobicContact CB-CZ 4.39Å; F1538-F1548 AromaticContact CD1-CE1 3.55Å; F1538-F1548 HydrophobicContact CD1-CE1 3.55Å; F1538-F1548 AromaticContact CD1-CZ 3.64Å; F1538-F1548 HydrophobicContact CD1-CZ 3.64Å; F1538-F1548 AromaticContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CZ 4.38Å; F1538-F1548 HydrophobicContact CG-CE1 4.39Å; F1538-F1548 HydrophobicContact CG-CZ 4.34Å; L1543-F1548 HydrophobicContact CB-CD2 3.75Å; L1543-F1548 HydrophobicContact CB-CE2 3.5Å; L1543-F1548 VanDerWaalsContact CB-CE2 3.5Å; L1543-F1548 HydrophobicContact CB-CG 4.5Å; L1543-F1548 HydrophobicContact CB-CZ 4.04Å; L1543-F1548 WeakPolarHBondContact O-CE2 3.42Å; D1544-F1548 PolarHBondContact O-N 3.29Å; F1548-L1551 PolarHBondContact O-N 3.35Å; F1548-K1552 WeakPolarHBondContact O-CG 3.42Å; F1548-K1552 PolarHBondContact O-N 3.31Å; F1548-K1552 VanDerWaalsContact O-N 3.08Å |
| 1549 | T | 91.5 | Very high | 89 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 111 | N1545 K1546 E1547 L1551 K1552 F1553 | N1545-T1549 VanDerWaalsContact O-CB 3.31Å; N1545-T1549 WeakPolarHBondContact O-CB 3.12Å; N1545-T1549 PolarHBondContact O-N 3.48Å; N1545-T1549 PolarHBondContact O-OG1 3.06Å; K1546-T1549 PolarHBondContact O-N 2.76Å; E1547-T1549 VanDerWaalsContact C-N 3.32Å; E1547-T1549 PolarHBondContact O-N 2.9Å; T1549-L1551 VanDerWaalsContact C-N 3.33Å; T1549-L1551 PolarHBondContact O-N 3.37Å; T1549-K1552 PolarHBondContact O-N 2.88Å; T1549-F1553 HydrophobicContact CG2-CD2 3.78Å; T1549-F1553 HydrophobicContact CG2-CE2 3.7Å; T1549-F1553 VanDerWaalsContact O-CD2 3.3Å; T1549-F1553 WeakPolarHBondContact O-CD2 3.38Å; T1549-F1553 PolarHBondContact O-N 3Å |
| 1550 | C | 94.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 175.6 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | K1546 E1547 F1553 I1554 F1583 L1584 | K1546-C1550 PolarHBondContact O-N 3.29Å; K1546-C1550 PolarHBondContact O-SG 2.95Å; E1547-C1550 WeakPolarHBondContact O-CB 3.16Å; E1547-C1550 PolarHBondContact O-N 3.45Å; E1547-C1550 VanDerWaalsContact O-N 3.14Å; C1550-F1553 PolarHBondContact O-N 2.98Å; C1550-I1554 WeakPolarHBondContact O-CB 3.47Å; C1550-I1554 WeakPolarHBondContact O-CD1 3.26Å; C1550-I1554 WeakPolarHBondContact O-CG1 3.43Å; C1550-I1554 PolarHBondContact O-N 2.88Å; C1550-F1583 WeakPolarHBondContact SG-CD1 3.46Å; C1550-L1584 HydrophobicContact CB-CB 4.22Å; C1550-L1584 HydrophobicContact CB-CD1 4.37Å |
| 1551 | L | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | -67.5 | 179.8 | 0 | 0 | 0 | 112.1 | L1420 F1538 L1543 E1547 F1548 T1549 F1553 I1554 V1555 L1584 I1624 L1625 L1628 | L1420-L1551 HydrophobicContact CD1-CB 4.19Å; L1420-L1551 HydrophobicContact CD2-CB 4.17Å; L1420-L1551 HydrophobicContact CD2-CD1 4.23Å; F1538-L1551 HydrophobicContact CE1-CD1 3.68Å; F1538-L1551 HydrophobicContact CZ-CD1 4.17Å; L1543-L1551 HydrophobicContact CD2-CD1 3.57Å; E1547-L1551 PolarHBondContact O-N 3.48Å; F1548-L1551 PolarHBondContact O-N 3.35Å; T1549-L1551 VanDerWaalsContact C-N 3.33Å; T1549-L1551 PolarHBondContact O-N 3.37Å; L1551-F1553 VanDerWaalsContact C-N 3.28Å; L1551-F1553 PolarHBondContact O-N 2.84Å; L1551-I1554 PolarHBondContact O-N 3.48Å; L1551-V1555 WeakPolarHBondContact O-CB 3.31Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.41Å; L1551-V1555 PolarHBondContact O-N 3Å; L1551-L1584 HydrophobicContact CD2-CD2 3.93Å; L1551-I1624 HydrophobicContact CD1-CG2 4.24Å; L1551-I1624 HydrophobicContact CD2-CG2 3.86Å; L1551-I1624 HydrophobicContact CG-CG2 4.43Å; L1551-L1625 HydrophobicContact CD2-CD2 4.23Å; L1551-L1628 HydrophobicContact CB-CD2 4.49Å; L1551-L1628 HydrophobicContact CD2-CD1 4.14Å; L1551-L1628 HydrophobicContact CD2-CD2 4.15Å; L1551-L1628 HydrophobicContact CD2-CG 4.32Å |
| 1552 | K | 93.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 174.2 | -63.1 | 170.2 | -168.7 | 177.8 | 0 | 111.5 | W1391 I1417 L1420 E1421 H1424 F1548 T1549 L1556 | W1391-K1552 HydrophobicContact CH2-CB 4.25Å; I1417-K1552 HydrophobicContact CG2-CB 4.34Å; I1417-K1552 HydrophobicContact CG2-CG 4.23Å; L1420-K1552 HydrophobicContact CB-CG 4.26Å; L1420-K1552 HydrophobicContact CD1-CG 4.34Å; E1421-K1552 IonicContact OE1-NZ 3.26Å; E1421-K1552 PolarHBondContact OE1-NZ 3.5Å; E1421-K1552 WeakPolarHBondContact OE2-CE 3.4Å; E1421-K1552 IonicContact OE2-NZ 2.77Å; E1421-K1552 PolarHBondContact OE2-NZ 3.13Å; H1424-K1552 PolarHBondContact CE1-NZ 3.35Å; F1548-K1552 WeakPolarHBondContact O-CG 3.42Å; F1548-K1552 PolarHBondContact O-N 3.31Å; F1548-K1552 VanDerWaalsContact O-N 3.08Å; T1549-K1552 PolarHBondContact O-N 2.88Å; K1552-L1556 VanDerWaalsContact O-CB 3.26Å; K1552-L1556 WeakPolarHBondContact O-CB 3.16Å; K1552-L1556 PolarHBondContact O-N 2.9Å |
| 1553 | F | 93.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 174.5 | -86.2 | -75.1 | 0 | 0 | 0 | 113.6 | W1391 I1395 T1549 C1550 L1551 V1555 L1556 F1557 F1580 | W1391-F1553 HydrophobicContact CH2-CD2 4.38Å; W1391-F1553 HydrophobicContact CH2-CE1 4.42Å; W1391-F1553 HydrophobicContact CH2-CE2 4.23Å; W1391-F1553 HydrophobicContact CH2-CZ 4.24Å; W1391-F1553 HydrophobicContact CZ2-CD2 4.23Å; W1391-F1553 HydrophobicContact CZ2-CE1 4.37Å; W1391-F1553 AromaticContact CZ2-CE2 3.7Å; W1391-F1553 HydrophobicContact CZ2-CE2 3.7Å; W1391-F1553 AromaticContact CZ2-CZ 3.77Å; W1391-F1553 HydrophobicContact CZ2-CZ 3.77Å; I1395-F1553 HydrophobicContact CD1-CE1 3.67Å; I1395-F1553 HydrophobicContact CD1-CZ 3.97Å; I1395-F1553 HydrophobicContact CG1-CE1 4.11Å; I1395-F1553 HydrophobicContact CG1-CZ 4.1Å; I1395-F1553 HydrophobicContact CG2-CE1 3.76Å; I1395-F1553 HydrophobicContact CG2-CZ 4.27Å; T1549-F1553 HydrophobicContact CG2-CD2 3.78Å; T1549-F1553 HydrophobicContact CG2-CE2 3.7Å; T1549-F1553 VanDerWaalsContact O-CD2 3.3Å; T1549-F1553 WeakPolarHBondContact O-CD2 3.38Å; T1549-F1553 PolarHBondContact O-N 3Å; C1550-F1553 PolarHBondContact O-N 2.98Å; L1551-F1553 VanDerWaalsContact C-N 3.28Å; L1551-F1553 PolarHBondContact O-N 2.84Å; F1553-V1555 VanDerWaalsContact C-N 3.31Å; F1553-V1555 PolarHBondContact O-N 3.41Å; F1553-L1556 PolarHBondContact O-N 3.18Å; F1553-F1557 HydrophobicContact CD1-CD2 4.04Å; F1553-F1557 AromaticContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CE1-CE2 4.2Å; F1553-F1557 WeakPolarHBondContact O-CB 3.49Å; F1553-F1557 WeakPolarHBondContact O-CD2 3.21Å; F1553-F1557 PolarHBondContact O-N 3.37Å; F1553-F1580 HydrophobicContact CB-CB 4.24Å; F1553-F1580 HydrophobicContact CB-CD1 3.83Å; F1553-F1580 HydrophobicContact CB-CD2 3.61Å; F1553-F1580 HydrophobicContact CB-CE1 4.04Å; F1553-F1580 HydrophobicContact CB-CE2 3.82Å; F1553-F1580 HydrophobicContact CB-CG 3.62Å; F1553-F1580 HydrophobicContact CB-CZ 4.03Å; F1553-F1580 AromaticContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CE1 4.12Å; F1553-F1580 AromaticContact CD1-CE2 3.28Å; F1553-F1580 HydrophobicContact CD1-CE2 3.28Å; F1553-F1580 AromaticContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD2-CD1 4.04Å; F1553-F1580 AromaticContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE1 3.48Å; F1553-F1580 VanDerWaalsContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE2 4.19Å; F1553-F1580 AromaticContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CE1-CE1 4.45Å; F1553-F1580 AromaticContact CE1-CE2 3.79Å; F1553-F1580 HydrophobicContact CE1-CE2 3.79Å; F1553-F1580 AromaticContact CE1-CZ 3.56Å; F1553-F1580 HydrophobicContact CE1-CZ 3.56Å; F1553-F1580 AromaticContact CE2-CE1 3.89Å; F1553-F1580 HydrophobicContact CE2-CE1 3.89Å; F1553-F1580 AromaticContact CE2-CZ 3.77Å; F1553-F1580 HydrophobicContact CE2-CZ 3.77Å; F1553-F1580 AromaticContact CG-CD1 3.97Å; F1553-F1580 HydrophobicContact CG-CD1 3.97Å; F1553-F1580 AromaticContact CG-CD2 3.89Å; F1553-F1580 HydrophobicContact CG-CD2 3.89Å; F1553-F1580 AromaticContact CG-CE1 3.63Å; F1553-F1580 HydrophobicContact CG-CE1 3.63Å; F1553-F1580 AromaticContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CG 4.09Å; F1553-F1580 AromaticContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CZ-CE1 4.37Å; F1553-F1580 HydrophobicContact CZ-CE2 4.46Å; F1553-F1580 AromaticContact CZ-CZ 3.78Å; F1553-F1580 HydrophobicContact CZ-CZ 3.78Å |
| 1554 | I | 92.8 | Very high | 82.9 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 179.7 | -71.3 | 163.4 | 0 | 0 | 0 | 111.1 | C1550 L1551 Q1577 F1580 L1584 L1625 L1628 | C1550-I1554 WeakPolarHBondContact O-CB 3.47Å; C1550-I1554 WeakPolarHBondContact O-CD1 3.26Å; C1550-I1554 WeakPolarHBondContact O-CG1 3.43Å; C1550-I1554 PolarHBondContact O-N 2.88Å; L1551-I1554 PolarHBondContact O-N 3.48Å; I1554-Q1577 HydrophobicContact CG2-CG 4.39Å; I1554-Q1577 PolarHBondContact O-NE2 3.48Å; I1554-F1580 HydrophobicContact CD1-CB 4.41Å; I1554-F1580 HydrophobicContact CG1-CB 3.87Å; I1554-L1584 HydrophobicContact CD1-CB 4.48Å; I1554-L1584 HydrophobicContact CD1-CD2 3.79Å; I1554-L1625 HydrophobicContact CD1-CD2 4.4Å; I1554-L1625 HydrophobicContact CG2-CD2 4.46Å; I1554-L1628 HydrophobicContact CG2-CD1 4.25Å |
| 1555 | V | 92.5 | Very high | 81.9 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.9 | -46.6 | 173.7 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | E1416 I1417 L1420 L1551 F1553 N1558 L1628 | E1416-V1555 HydrophobicContact CB-CG1 3.74Å; E1416-V1555 WeakPolarHBondContact OE2-CG1 3.44Å; I1417-V1555 HydrophobicContact CG1-CG1 3.87Å; L1420-V1555 HydrophobicContact CD1-CB 4.41Å; L1420-V1555 HydrophobicContact CD1-CG2 3.93Å; L1551-V1555 WeakPolarHBondContact O-CB 3.31Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.41Å; L1551-V1555 PolarHBondContact O-N 3Å; F1553-V1555 VanDerWaalsContact C-N 3.31Å; F1553-V1555 PolarHBondContact O-N 3.41Å; V1555-N1558 WeakPolarHBondContact O-CB 3.17Å; V1555-N1558 PolarHBondContact O-N 2.94Å; V1555-L1628 HydrophobicContact CG2-CD1 4.3Å; V1555-L1628 HydrophobicContact CG2-CD2 3.79Å |
| 1556 | L | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 178 | 176.4 | 58.2 | 0 | 0 | 0 | 112 | W1391 M1392 I1395 F1398 L1409 S1413 I1417 K1552 F1553 N1558 | W1391-L1556 HydrophobicContact CH2-CD2 4.46Å; W1391-L1556 HydrophobicContact CZ3-CD2 4.02Å; M1392-L1556 HydrophobicContact CG-CD2 3.84Å; M1392-L1556 HydrophobicContact SD-CD1 3.5Å; M1392-L1556 WeakPolarHBondContact SD-CD1 3.27Å; M1392-L1556 HydrophobicContact SD-CD2 3.75Å; M1392-L1556 HydrophobicContact SD-CG 4.3Å; I1395-L1556 HydrophobicContact CD1-CD2 4.08Å; F1398-L1556 HydrophobicContact CE2-CD1 4.4Å; F1398-L1556 HydrophobicContact CE2-CD2 4.48Å; L1409-L1556 HydrophobicContact CB-CD1 4.1Å; L1409-L1556 WeakPolarHBondContact CD2-O 3.16Å; S1413-L1556 WeakPolarHBondContact OG-CD1 3.41Å; I1417-L1556 HydrophobicContact CD1-CB 3.89Å; I1417-L1556 HydrophobicContact CD1-CD1 4.17Å; K1552-L1556 VanDerWaalsContact O-CB 3.26Å; K1552-L1556 WeakPolarHBondContact O-CB 3.16Å; K1552-L1556 PolarHBondContact O-N 2.9Å; F1553-L1556 PolarHBondContact O-N 3.18Å; L1556-N1558 VanDerWaalsContact C-N 3.27Å; L1556-N1558 PolarHBondContact O-N 2.97Å |
| 1557 | F | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 38.7 | -179.5 | -70.5 | -89.5 | 0 | 0 | 0 | 112.3 | F1398 L1401 L1409 F1553 P1559 A1573 I1576 Q1577 | F1398-F1557 HydrophobicContact CB-CZ 4.4Å; F1398-F1557 HydrophobicContact CD2-CE1 4.3Å; F1398-F1557 AromaticContact CD2-CZ 3.84Å; F1398-F1557 HydrophobicContact CD2-CZ 3.84Å; L1401-F1557 HydrophobicContact CD1-CE1 4.08Å; L1409-F1557 HydrophobicContact CD1-CD1 4.14Å; L1409-F1557 HydrophobicContact CD1-CE1 4.33Å; F1553-F1557 HydrophobicContact CD1-CD2 4.04Å; F1553-F1557 AromaticContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CE1-CE2 4.2Å; F1553-F1557 WeakPolarHBondContact O-CB 3.49Å; F1553-F1557 WeakPolarHBondContact O-CD2 3.21Å; F1553-F1557 PolarHBondContact O-N 3.37Å; F1557-P1559 WeakPolarHBondContact O-CD 3.29Å; F1557-A1573 HydrophobicContact CD1-CB 4.43Å; F1557-I1576 HydrophobicContact CB-CG2 4.35Å; F1557-I1576 HydrophobicContact CD1-CB 4Å; F1557-I1576 HydrophobicContact CD1-CD1 4Å; F1557-I1576 HydrophobicContact CD1-CG2 3.82Å; F1557-I1576 HydrophobicContact CD2-CG2 3.78Å; F1557-I1576 HydrophobicContact CE1-CB 4.28Å; F1557-I1576 HydrophobicContact CE1-CD1 3.52Å; F1557-I1576 HydrophobicContact CE1-CG2 3.97Å; F1557-I1576 HydrophobicContact CE2-CG2 3.95Å; F1557-I1576 HydrophobicContact CG-CB 4.26Å; F1557-I1576 HydrophobicContact CG-CG2 3.71Å; F1557-I1576 HydrophobicContact CZ-CD1 4.1Å; F1557-I1576 HydrophobicContact CZ-CG2 4.03Å; F1557-Q1577 HydrophobicContact CB-CB 4.24Å; F1557-Q1577 WeakPolarHBondContact O-CB 3.27Å; F1557-Q1577 VanDerWaalsContact O-CG 3.32Å; F1557-Q1577 WeakPolarHBondContact O-CG 3.4Å; F1557-Q1577 PolarHBondContact O-NE2 2.87Å |
| 1558 | N | 85.6 | Confident | 78.9 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | trans | -101.6 | 90.5 | 173.4 | -170.8 | -1.2 | 0 | 0 | 0 | 112.2 | V1555 L1556 L1560 | V1555-N1558 WeakPolarHBondContact O-CB 3.17Å; V1555-N1558 PolarHBondContact O-N 2.94Å; L1556-N1558 VanDerWaalsContact C-N 3.27Å; L1556-N1558 PolarHBondContact O-N 2.97Å; N1558-L1560 VanDerWaalsContact C-N 3.25Å; N1558-L1560 PolarHBondContact O-N 3.14Å; N1558-L1560 PolarHBondContact OD1-N 3.18Å | ||
| 1559 | P | 72.2 | Confident | 77.9 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4 | -179 | 35.3 | -38.8 | 0 | 0 | 0 | 114 | F1557 T1564 L1566 L1570 A1573 L1574 | F1557-P1559 WeakPolarHBondContact O-CD 3.29Å; P1559-T1564 PolarHBondContact O-OG1 2.87Å; P1559-T1564 VanDerWaalsContact O-OG1 3.13Å; P1559-L1566 HydrophobicContact CB-CD1 3.74Å; P1559-L1566 HydrophobicContact CB-CG 4.25Å; P1559-L1570 HydrophobicContact CB-CD1 3.55Å; P1559-L1570 HydrophobicContact CG-CD1 3.51Å; P1559-A1573 HydrophobicContact CG-CB 4.37Å; P1559-L1574 HydrophobicContact CG-CD2 3.7Å; P1559-L1574 HydrophobicContact CG-CG 3.95Å |
| 1560 | L | 69.3 | Low | 77.5 | Confident | 97 Ų | 97 | 44.8 Ų | 44.8 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 9.9 | 177.3 | -59.9 | 177.1 | 0 | 0 | 0 | 112 | V281 N1558 | V281-L1560 HydrophobicContact CB-CD1 4.04Å; V281-L1560 HydrophobicContact CG1-CD1 4.02Å; V281-L1560 HydrophobicContact CG2-CD1 3.99Å; N1558-L1560 VanDerWaalsContact C-N 3.25Å; N1558-L1560 PolarHBondContact O-N 3.14Å; N1558-L1560 PolarHBondContact OD1-N 3.18Å |
| 1561 | K | 68.9 | Low | 77 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -77 | 126.8 | 172 | -156.1 | 166.9 | -174.5 | -180 | 0 | 108.3 | S1412 E1416 D1563 T1564 | S1412-K1561 VanDerWaalsContact O-CE 3.3Å; S1412-K1561 WeakPolarHBondContact O-CE 3.26Å; S1412-K1561 PolarHBondContact O-NZ 3.13Å; E1416-K1561 VanDerWaalsContact OE1-CE 3.28Å; E1416-K1561 WeakPolarHBondContact OE1-CE 3.41Å; E1416-K1561 IonicContact OE1-NZ 2.75Å; E1416-K1561 PolarHBondContact OE1-NZ 3.11Å; E1416-K1561 IonicContact OE2-NZ 3.75Å; E1416-K1561 PolarHBondContact OE2-NZ 3.1Å; K1561-D1563 PolarHBondContact O-N 2.87Å; K1561-T1564 PolarHBondContact O-N 3.17Å; K1561-T1564 VanDerWaalsContact O-N 3.15Å; K1561-T1564 PolarHBondContact O-OG1 2.85Å |
| 1562 | H | 48.7 | Very low | 76.7 | Confident | 173 Ų | 173 | 49.9 Ų | 49.9 | 80% | 0.801 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35 | 123.1 | -168.6 | -52.1 | -60.8 | 0 | 0 | 0 | 113.1 | T1564 | H1562-T1564 PolarHBondContact O-N 3.17Š|
| 1563 | D | 50.6 | Low | 76.4 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 17.1 | 173.8 | -41.9 | -43.9 | 0 | 0 | 0 | 117.5 | K1561 F1565 R1667 | K1561-D1563 PolarHBondContact O-N 2.87Å; D1563-F1565 VanDerWaalsContact C-N 3.34Å; D1563-F1565 PolarHBondContact O-N 2.94Å; D1563-F1565 VanDerWaalsContact O-N 3.11Å; D1563-R1667 PolarHBondContact O-NH1 3.03Å |
| 1564 | T | 62 | Low | 76.2 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | trans | -81.7 | 70.6 | 167.5 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | Q1408 S1412 P1559 K1561 H1562 L1566 | Q1408-T1564 HydrophobicContact CB-CG2 4.38Å; S1412-T1564 VanDerWaalsContact CB-CG2 3.49Å; P1559-T1564 PolarHBondContact O-OG1 2.87Å; P1559-T1564 VanDerWaalsContact O-OG1 3.13Å; K1561-T1564 PolarHBondContact O-N 3.17Å; K1561-T1564 VanDerWaalsContact O-N 3.15Å; K1561-T1564 PolarHBondContact O-OG1 2.85Å; H1562-T1564 PolarHBondContact O-N 3.17Å; T1564-L1566 VanDerWaalsContact C-N 3.34Å; T1564-L1566 PolarHBondContact O-N 3.42Å | ||
| 1565 | F | 65 | Low | 76 | Confident | 161 Ų | 161 | 57.7 Ų | 57.7 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | trans | -67.8 | 86.9 | 169.4 | -66.9 | -83 | 0 | 0 | 0 | 111.9 | Q1408 D1563 T1567 | Q1408-F1565 PolarHBondContact NE2-O 3.13Å; Q1408-F1565 VanDerWaalsContact NE2-O 3.17Å; Q1408-F1565 VanDerWaalsContact OE1-C 3.28Å; Q1408-F1565 PolarHBondContact OE1-O 3.47Å; Q1408-F1565 VanDerWaalsContact OE1-O 3.04Å; D1563-F1565 VanDerWaalsContact C-N 3.34Å; D1563-F1565 PolarHBondContact O-N 2.94Å; D1563-F1565 VanDerWaalsContact O-N 3.11Å; F1565-T1567 PolarHBondContact O-N 2.58Å | ||
| 1566 | L | 76 | Confident | 75.9 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | trans | -61.3 | 125.9 | 170.3 | -61.3 | -172.9 | 0 | 0 | 0 | 110.3 | D1405 Q1408 L1409 P1559 T1564 S1568 A1573 | D1405-L1566 HydrophobicContact CB-CD2 3.95Å; Q1408-L1566 HydrophobicContact CB-CD2 4.12Å; L1409-L1566 HydrophobicContact CD2-CD1 4.26Å; L1409-L1566 HydrophobicContact CD2-CD2 4.02Å; L1409-L1566 HydrophobicContact CG-CD2 4.11Å; P1559-L1566 HydrophobicContact CB-CD1 3.74Å; P1559-L1566 HydrophobicContact CB-CG 4.25Å; T1564-L1566 VanDerWaalsContact C-N 3.34Å; T1564-L1566 PolarHBondContact O-N 3.42Å; L1566-S1568 VanDerWaalsContact C-N 3.35Å; L1566-S1568 PolarHBondContact O-N 2.9Å; L1566-A1573 HydrophobicContact CD1-CB 3.72Å | ||
| 1567 | T | 65.8 | Low | 75.8 | Confident | 91 Ų | 91 | 59 Ų | 59 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -72.2 | -23.8 | -166.8 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | E1404 D1405 F1565 | E1404-T1567 HydrophobicContact CB-CG2 4.34Å; E1404-T1567 HydrophobicContact CG-CG2 3.75Å; D1405-T1567 WeakPolarHBondContact OD1-CB 3.4Å; D1405-T1567 PolarHBondContact OD1-N 3.44Å; D1405-T1567 PolarHBondContact OD1-OG1 3.02Å; F1565-T1567 PolarHBondContact O-N 2.58Å |
| 1568 | S | 64.9 | Low | 75.8 | Confident | 75 Ų | 75 | 61 Ų | 61 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -147 | -28.3 | -178.5 | 60.6 | 0 | 0 | 0 | 0 | 115 | D1405 L1566 | D1405-S1568 PolarHBondContact OD2-N 3.2Å; L1566-S1568 VanDerWaalsContact C-N 3.35Å; L1566-S1568 PolarHBondContact O-N 2.9Å |
| 1569 | N | 72.8 | Confident | 76.1 | Confident | 47 Ų | 47 | 65 Ų | 65 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | trans | -120.4 | 30.9 | -160 | -95.1 | -70.9 | 0 | 0 | 0 | 116.1 | L1401 D1405 S1571 Y1572 A1573 | L1401-N1569 HydrophobicContact CD2-CB 3.57Å; D1405-N1569 PolarHBondContact OD2-N 3.15Å; N1569-S1571 VanDerWaalsContact C-N 3.29Å; N1569-S1571 PolarHBondContact O-N 3.32Å; N1569-Y1572 WeakPolarHBondContact O-CB 3.22Å; N1569-Y1572 PolarHBondContact O-N 3.4Å; N1569-Y1572 WeakPolarHBondContact OD1-CB 3.22Å; N1569-A1573 PolarHBondContact O-N 2.77Å | ||
| 1570 | L | 84 | Confident | 77.2 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -50.4 | -46.1 | 173.1 | 177.5 | 60.5 | 0 | 0 | 0 | 112.9 | I279 P1559 Y1572 A1573 L1574 | I279-L1570 HydrophobicContact CD1-CD2 4.28Å; I279-L1570 HydrophobicContact CD1-CG 4.29Å; P1559-L1570 HydrophobicContact CB-CD1 3.55Å; P1559-L1570 HydrophobicContact CG-CD1 3.51Å; L1570-Y1572 VanDerWaalsContact C-N 3.31Å; L1570-Y1572 PolarHBondContact O-N 2.85Å; L1570-A1573 PolarHBondContact O-N 3.35Å; L1570-L1574 HydrophobicContact CD1-CD1 3.99Å; L1570-L1574 HydrophobicContact CD1-CG 4.21Å; L1570-L1574 HydrophobicContact CG-CD1 4.11Å; L1570-L1574 WeakPolarHBondContact O-CG 3.47Å; L1570-L1574 PolarHBondContact O-N 3.11Å |
| 1571 | S | 83.9 | Confident | 78.2 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 178 | -169 | 0 | 0 | 0 | 0 | 112.7 | N1569 K1575 | N1569-S1571 VanDerWaalsContact C-N 3.29Å; N1569-S1571 PolarHBondContact O-N 3.32Å; S1571-K1575 VanDerWaalsContact O-CB 3.23Å; S1571-K1575 WeakPolarHBondContact O-CB 3.42Å; S1571-K1575 PolarHBondContact O-N 2.87Å |
| 1572 | Y | 87.5 | Confident | 79.3 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.1 | -41.8 | -179.8 | 179.3 | -100.4 | 0 | 0 | 0 | 111.8 | S1397 V1400 L1401 N1569 L1570 K1575 I1576 | S1397-Y1572 WeakPolarHBondContact O-CE1 3.44Å; S1397-Y1572 PolarHBondContact O-OH 3.42Å; V1400-Y1572 HydrophobicContact CB-CE1 4.2Å; V1400-Y1572 WeakPolarHBondContact CB-OH 3.3Å; V1400-Y1572 HydrophobicContact CG1-CE1 4.4Å; V1400-Y1572 HydrophobicContact CG1-CE2 4.43Å; L1401-Y1572 HydrophobicContact CD2-CD1 3.79Å; L1401-Y1572 HydrophobicContact CD2-CE1 4.19Å; L1401-Y1572 HydrophobicContact CG-CD1 4.32Å; L1401-Y1572 HydrophobicContact CG-CE1 4.23Å; N1569-Y1572 WeakPolarHBondContact O-CB 3.22Å; N1569-Y1572 PolarHBondContact O-N 3.4Å; N1569-Y1572 WeakPolarHBondContact OD1-CB 3.22Å; L1570-Y1572 VanDerWaalsContact C-N 3.31Å; L1570-Y1572 PolarHBondContact O-N 2.85Å; Y1572-K1575 PolarHBondContact O-N 3.34Å; Y1572-I1576 HydrophobicContact CD1-CD1 3.68Å; Y1572-I1576 HydrophobicContact CE1-CD1 3.29Å; Y1572-I1576 HydrophobicContact CE1-CG1 4.44Å; Y1572-I1576 HydrophobicContact CE2-CD1 4.35Å; Y1572-I1576 HydrophobicContact CG-CD1 4.36Å; Y1572-I1576 WeakPolarHBondContact O-CG1 3.43Å; Y1572-I1576 PolarHBondContact O-N 3.37Å |
| 1573 | A | 86.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1557 P1559 L1566 N1569 L1570 K1575 I1576 Q1577 | F1557-A1573 HydrophobicContact CD1-CB 4.43Å; P1559-A1573 HydrophobicContact CG-CB 4.37Å; L1566-A1573 HydrophobicContact CD1-CB 3.72Å; N1569-A1573 PolarHBondContact O-N 2.77Å; L1570-A1573 PolarHBondContact O-N 3.35Å; A1573-K1575 VanDerWaalsContact C-N 3.31Å; A1573-K1575 PolarHBondContact O-N 2.8Å; A1573-I1576 PolarHBondContact O-N 2.87Å; A1573-I1576 VanDerWaalsContact O-N 3.13Å; A1573-Q1577 PolarHBondContact O-N 3.25Å |
| 1574 | L | 88.4 | Confident | 83.6 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 175.3 | -69 | 171.6 | 0 | 0 | 0 | 112.4 | I279 P1559 L1570 I1576 Q1577 G1578 | I279-L1574 HydrophobicContact CG1-CD1 4.34Å; P1559-L1574 HydrophobicContact CG-CD2 3.7Å; P1559-L1574 HydrophobicContact CG-CG 3.95Å; L1570-L1574 HydrophobicContact CD1-CD1 3.99Å; L1570-L1574 HydrophobicContact CD1-CG 4.21Å; L1570-L1574 HydrophobicContact CG-CD1 4.11Å; L1570-L1574 WeakPolarHBondContact O-CG 3.47Å; L1570-L1574 PolarHBondContact O-N 3.11Å; L1574-I1576 VanDerWaalsContact C-N 3.34Å; L1574-I1576 PolarHBondContact O-N 2.94Å; L1574-Q1577 PolarHBondContact O-N 3.06Å; L1574-G1578 PolarHBondContact O-N 2.9Å |
| 1575 | K | 89.2 | Confident | 84.9 | Confident | 142 Ų | 142 | 60.8 Ų | 60.8 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.8 | -33.6 | 175.4 | -175.2 | 176.7 | -177.1 | 177.9 | 0 | 112.6 | S1571 Y1572 A1573 K1579 | S1571-K1575 VanDerWaalsContact O-CB 3.23Å; S1571-K1575 WeakPolarHBondContact O-CB 3.42Å; S1571-K1575 PolarHBondContact O-N 2.87Å; Y1572-K1575 PolarHBondContact O-N 3.34Å; A1573-K1575 VanDerWaalsContact C-N 3.31Å; A1573-K1575 PolarHBondContact O-N 2.8Å; K1575-K1579 WeakPolarHBondContact O-CG 3.03Å; K1575-K1579 PolarHBondContact O-N 3.15Å |
| 1576 | I | 89.6 | Confident | 86.1 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.5 | -48.3 | 172.8 | -69.5 | 163.3 | 0 | 0 | 0 | 110.4 | S1397 F1557 Y1572 A1573 L1574 G1578 K1579 F1580 | S1397-I1576 WeakPolarHBondContact O-CD1 3.48Å; F1557-I1576 HydrophobicContact CB-CG2 4.35Å; F1557-I1576 HydrophobicContact CD1-CB 4Å; F1557-I1576 HydrophobicContact CD1-CD1 4Å; F1557-I1576 HydrophobicContact CD1-CG2 3.82Å; F1557-I1576 HydrophobicContact CD2-CG2 3.78Å; F1557-I1576 HydrophobicContact CE1-CB 4.28Å; F1557-I1576 HydrophobicContact CE1-CD1 3.52Å; F1557-I1576 HydrophobicContact CE1-CG2 3.97Å; F1557-I1576 HydrophobicContact CE2-CG2 3.95Å; F1557-I1576 HydrophobicContact CG-CB 4.26Å; F1557-I1576 HydrophobicContact CG-CG2 3.71Å; F1557-I1576 HydrophobicContact CZ-CD1 4.1Å; F1557-I1576 HydrophobicContact CZ-CG2 4.03Å; Y1572-I1576 HydrophobicContact CD1-CD1 3.68Å; Y1572-I1576 HydrophobicContact CE1-CD1 3.29Å; Y1572-I1576 HydrophobicContact CE1-CG1 4.44Å; Y1572-I1576 HydrophobicContact CE2-CD1 4.35Å; Y1572-I1576 HydrophobicContact CG-CD1 4.36Å; Y1572-I1576 WeakPolarHBondContact O-CG1 3.43Å; Y1572-I1576 PolarHBondContact O-N 3.37Å; A1573-I1576 PolarHBondContact O-N 2.87Å; A1573-I1576 VanDerWaalsContact O-N 3.13Å; L1574-I1576 VanDerWaalsContact C-N 3.34Å; L1574-I1576 PolarHBondContact O-N 2.94Å; I1576-G1578 VanDerWaalsContact C-N 3.3Å; I1576-G1578 PolarHBondContact O-N 3.06Å; I1576-K1579 WeakPolarHBondContact O-CB 3.21Å; I1576-K1579 PolarHBondContact O-N 3.08Å; I1576-F1580 HydrophobicContact CG2-CD2 3.82Å; I1576-F1580 HydrophobicContact CG2-CE2 3.7Å; I1576-F1580 WeakPolarHBondContact O-CD2 3.11Å; I1576-F1580 PolarHBondContact O-N 3.4Å |
| 1577 | Q | 89.8 | Confident | 86.7 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.1 | -47.6 | 177.8 | -155.7 | -172.1 | 29 | 0 | 0 | 110.8 | I1554 F1557 A1573 L1574 K1579 F1580 C1581 | I1554-Q1577 HydrophobicContact CG2-CG 4.39Å; I1554-Q1577 PolarHBondContact O-NE2 3.48Å; F1557-Q1577 HydrophobicContact CB-CB 4.24Å; F1557-Q1577 WeakPolarHBondContact O-CB 3.27Å; F1557-Q1577 VanDerWaalsContact O-CG 3.32Å; F1557-Q1577 WeakPolarHBondContact O-CG 3.4Å; F1557-Q1577 PolarHBondContact O-NE2 2.87Å; A1573-Q1577 PolarHBondContact O-N 3.25Å; L1574-Q1577 PolarHBondContact O-N 3.06Å; Q1577-K1579 VanDerWaalsContact C-N 3.32Å; Q1577-K1579 PolarHBondContact O-N 3.31Å; Q1577-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 VanDerWaalsContact O-N 3.08Å; Q1577-C1581 PolarHBondContact O-N 3.02Å; Q1577-C1581 PolarHBondContact O-SG 3.4Å; Q1577-C1581 VanDerWaalsContact O-SG 3.33Å |
| 1578 | G | 89.8 | Confident | 87.8 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -35.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1574 I1576 H1582 | L1574-G1578 PolarHBondContact O-N 2.9Å; I1576-G1578 VanDerWaalsContact C-N 3.3Å; I1576-G1578 PolarHBondContact O-N 3.06Å; G1578-H1582 WeakPolarHBondContact O-CB 3.18Å; G1578-H1582 PolarHBondContact O-N 3.15Å |
| 1579 | K | 93.3 | Very high | 88.8 | Confident | 133 Ų | 133 | 59.7 Ų | 59.7 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 172.5 | -74.7 | 175.4 | 177.2 | -172.6 | 0 | 111.8 | K1575 I1576 Q1577 H1582 F1583 | K1575-K1579 WeakPolarHBondContact O-CG 3.03Å; K1575-K1579 PolarHBondContact O-N 3.15Å; I1576-K1579 WeakPolarHBondContact O-CB 3.21Å; I1576-K1579 PolarHBondContact O-N 3.08Å; Q1577-K1579 VanDerWaalsContact C-N 3.32Å; Q1577-K1579 PolarHBondContact O-N 3.31Å; K1579-H1582 PolarHBondContact O-N 2.98Å; K1579-F1583 PolarHBondContact O-N 2.73Å |
| 1580 | F | 93.7 | Very high | 89.4 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.3 | -38 | 179.6 | -75.1 | -71.9 | 0 | 0 | 0 | 112.5 | F1553 I1554 I1576 Q1577 F1583 L1584 | F1553-F1580 HydrophobicContact CB-CB 4.24Å; F1553-F1580 HydrophobicContact CB-CD1 3.83Å; F1553-F1580 HydrophobicContact CB-CD2 3.61Å; F1553-F1580 HydrophobicContact CB-CE1 4.04Å; F1553-F1580 HydrophobicContact CB-CE2 3.82Å; F1553-F1580 HydrophobicContact CB-CG 3.62Å; F1553-F1580 HydrophobicContact CB-CZ 4.03Å; F1553-F1580 AromaticContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CE1 4.12Å; F1553-F1580 AromaticContact CD1-CE2 3.28Å; F1553-F1580 HydrophobicContact CD1-CE2 3.28Å; F1553-F1580 AromaticContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD2-CD1 4.04Å; F1553-F1580 AromaticContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE1 3.48Å; F1553-F1580 VanDerWaalsContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE2 4.19Å; F1553-F1580 AromaticContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CE1-CE1 4.45Å; F1553-F1580 AromaticContact CE1-CE2 3.79Å; F1553-F1580 HydrophobicContact CE1-CE2 3.79Å; F1553-F1580 AromaticContact CE1-CZ 3.56Å; F1553-F1580 HydrophobicContact CE1-CZ 3.56Å; F1553-F1580 AromaticContact CE2-CE1 3.89Å; F1553-F1580 HydrophobicContact CE2-CE1 3.89Å; F1553-F1580 AromaticContact CE2-CZ 3.77Å; F1553-F1580 HydrophobicContact CE2-CZ 3.77Å; F1553-F1580 AromaticContact CG-CD1 3.97Å; F1553-F1580 HydrophobicContact CG-CD1 3.97Å; F1553-F1580 AromaticContact CG-CD2 3.89Å; F1553-F1580 HydrophobicContact CG-CD2 3.89Å; F1553-F1580 AromaticContact CG-CE1 3.63Å; F1553-F1580 HydrophobicContact CG-CE1 3.63Å; F1553-F1580 AromaticContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CG 4.09Å; F1553-F1580 AromaticContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CZ-CE1 4.37Å; F1553-F1580 HydrophobicContact CZ-CE2 4.46Å; F1553-F1580 AromaticContact CZ-CZ 3.78Å; F1553-F1580 HydrophobicContact CZ-CZ 3.78Å; I1554-F1580 HydrophobicContact CD1-CB 4.41Å; I1554-F1580 HydrophobicContact CG1-CB 3.87Å; I1576-F1580 HydrophobicContact CG2-CD2 3.82Å; I1576-F1580 HydrophobicContact CG2-CE2 3.7Å; I1576-F1580 WeakPolarHBondContact O-CD2 3.11Å; I1576-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 VanDerWaalsContact O-N 3.08Å; F1580-F1583 PolarHBondContact O-N 3Å; F1580-L1584 WeakPolarHBondContact O-CB 3.37Å; F1580-L1584 PolarHBondContact O-N 3.44Å |
| 1581 | C | 92.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -47.8 | 168.3 | -70 | 0 | 0 | 0 | 0 | 111.6 | Q1577 F1583 L1584 L1585 Y1621 | Q1577-C1581 PolarHBondContact O-N 3.02Å; Q1577-C1581 PolarHBondContact O-SG 3.4Å; Q1577-C1581 VanDerWaalsContact O-SG 3.33Å; C1581-F1583 PolarHBondContact O-N 2.99Å; C1581-L1584 PolarHBondContact O-N 3.36Å; C1581-L1585 WeakPolarHBondContact O-CB 3.23Å; C1581-L1585 PolarHBondContact O-N 3.44Å; C1581-Y1621 WeakPolarHBondContact CB-OH 3.44Å; C1581-Y1621 WeakPolarHBondContact O-CE2 3.07Å |
| 1582 | H | 91.8 | Very high | 89.4 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 57% | 0.569 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 175.8 | -179.4 | 91.7 | 0 | 0 | 0 | 112.5 | G1578 K1579 L1585 K1586 | G1578-H1582 WeakPolarHBondContact O-CB 3.18Å; G1578-H1582 PolarHBondContact O-N 3.15Å; K1579-H1582 PolarHBondContact O-N 2.98Å; H1582-L1585 PolarHBondContact O-N 2.96Å; H1582-K1586 WeakPolarHBondContact O-CB 3.28Å; H1582-K1586 PolarHBondContact O-N 3.09Å |
| 1583 | F | 93.9 | Very high | 89 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.9 | -173.4 | -78.2 | 0 | 0 | 0 | 111.6 | K1546 C1550 K1579 F1580 C1581 K1586 R1587 | K1546-F1583 HydrophobicContact CB-CE1 4.46Å; C1550-F1583 WeakPolarHBondContact SG-CD1 3.46Å; K1579-F1583 PolarHBondContact O-N 2.73Å; F1580-F1583 PolarHBondContact O-N 3Å; C1581-F1583 PolarHBondContact O-N 2.99Å; F1583-K1586 CarbonylContact O-C 2.87Å; F1583-K1586 PolarHBondContact O-N 3.39Å; F1583-R1587 WeakPolarHBondContact O-CB 3.4Å; F1583-R1587 PolarHBondContact O-N 2.97Å |
| 1584 | L | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.1 | -177 | 62.5 | 0 | 0 | 0 | 111.3 | E1547 C1550 L1551 I1554 F1580 C1581 K1586 R1587 S1588 Y1621 I1624 L1625 | E1547-L1584 HydrophobicContact CB-CD1 3.89Å; E1547-L1584 HydrophobicContact CG-CD1 3.98Å; C1550-L1584 HydrophobicContact CB-CB 4.22Å; C1550-L1584 HydrophobicContact CB-CD1 4.37Å; L1551-L1584 HydrophobicContact CD2-CD2 3.93Å; I1554-L1584 HydrophobicContact CD1-CB 4.48Å; I1554-L1584 HydrophobicContact CD1-CD2 3.79Å; F1580-L1584 WeakPolarHBondContact O-CB 3.37Å; F1580-L1584 PolarHBondContact O-N 3.44Å; C1581-L1584 PolarHBondContact O-N 3.36Å; L1584-K1586 PolarHBondContact O-N 3.05Å; L1584-R1587 PolarHBondContact O-N 3.04Å; L1584-R1587 VanDerWaalsContact O-N 3.09Å; L1584-S1588 PolarHBondContact O-N 3.24Å; L1584-Y1621 HydrophobicContact CB-CE2 4.25Å; L1584-Y1621 HydrophobicContact CD2-CD2 4.38Å; L1584-Y1621 HydrophobicContact CD2-CE2 4.22Å; L1584-Y1621 HydrophobicContact CG-CD2 4.15Å; L1584-Y1621 HydrophobicContact CG-CE2 4.24Å; L1584-I1624 HydrophobicContact CD1-CG2 4.33Å; L1584-I1624 HydrophobicContact CD2-CG2 3.94Å; L1584-L1625 HydrophobicContact CD2-CD2 4.13Å |
| 1585 | L | 90.7 | Very high | 87.8 | Confident | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172.8 | -178.8 | 64.4 | 0 | 0 | 0 | 111.9 | C1581 H1582 R1587 S1588 R1589 V1617 Y1621 | C1581-L1585 WeakPolarHBondContact O-CB 3.23Å; C1581-L1585 PolarHBondContact O-N 3.44Å; H1582-L1585 PolarHBondContact O-N 2.96Å; L1585-R1587 PolarHBondContact O-N 2.82Å; L1585-S1588 PolarHBondContact O-N 3.27Å; L1585-R1589 VanDerWaalsContact O-CG 3.3Å; L1585-R1589 WeakPolarHBondContact O-CG 3.39Å; L1585-R1589 PolarHBondContact O-N 3.08Å; L1585-V1617 HydrophobicContact CD1-CG1 3.75Å; L1585-Y1621 HydrophobicContact CB-CD2 3.79Å; L1585-Y1621 HydrophobicContact CB-CE2 3.85Å; L1585-Y1621 HydrophobicContact CB-CG 4.37Å; L1585-Y1621 HydrophobicContact CD1-CD1 4.17Å; L1585-Y1621 HydrophobicContact CD1-CD2 4.08Å; L1585-Y1621 HydrophobicContact CD1-CG 3.78Å |
| 1586 | K | 89.6 | Confident | 86.7 | Confident | 139 Ų | 139 | 67.3 Ų | 67.3 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -27.6 | 174.8 | -172.5 | 173.2 | -177.8 | 174.3 | 0 | 112.2 | H1582 F1583 L1584 R1590 | H1582-K1586 WeakPolarHBondContact O-CB 3.28Å; H1582-K1586 PolarHBondContact O-N 3.09Å; F1583-K1586 CarbonylContact O-C 2.87Å; F1583-K1586 PolarHBondContact O-N 3.39Å; L1584-K1586 PolarHBondContact O-N 3.05Å; K1586-R1590 PolarHBondContact O-N 3.29Å |
| 1587 | R | 89 | Confident | 85.4 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -79.8 | -44.5 | 176.6 | -161.6 | 152.1 | -174.3 | 72.8 | 10.9 | 112.3 | D1544 E1547 F1583 L1584 L1585 R1589 R1590 F1591 | D1544-R1587 VanDerWaalsContact CG-NE 3.3Å; D1544-R1587 VanDerWaalsContact CG-NH2 3.32Å; D1544-R1587 IonicContact OD1-CZ 3.86Å; D1544-R1587 IonicContact OD1-NE 2.68Å; D1544-R1587 PolarHBondContact OD1-NE 3.41Å; D1544-R1587 IonicContact OD1-NH2 3.42Å; D1544-R1587 PolarHBondContact OD1-NH2 2.77Å; D1544-R1587 IonicContact OD2-CZ 2.63Å; D1544-R1587 IonicContact OD2-NE 3.84Å; D1544-R1587 PolarHBondContact OD2-NE 3.43Å; D1544-R1587 IonicContact OD2-NH2 2.66Å; D1544-R1587 PolarHBondContact OD2-NH2 3.17Å; E1547-R1587 HydrophobicContact CG-CB 4.25Å; E1547-R1587 HydrophobicContact CG-CG 3.74Å; E1547-R1587 WeakPolarHBondContact OE1-CG 3.45Å; F1583-R1587 WeakPolarHBondContact O-CB 3.4Å; F1583-R1587 PolarHBondContact O-N 2.97Å; L1584-R1587 PolarHBondContact O-N 3.04Å; L1584-R1587 VanDerWaalsContact O-N 3.09Å; L1585-R1587 PolarHBondContact O-N 2.82Å; R1587-R1589 VanDerWaalsContact C-N 3.27Å; R1587-R1589 PolarHBondContact O-N 3.28Å; R1587-R1590 WeakPolarHBondContact O-CA 3.27Å; R1587-R1590 PolarHBondContact O-N 3.1Å; R1587-F1591 PolarHBondContact O-N 2.91Å |
| 1588 | S | 88.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56 | -39.5 | 168.5 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | L1584 L1585 R1590 F1591 L1592 R1620 | L1584-S1588 PolarHBondContact O-N 3.24Å; L1585-S1588 PolarHBondContact O-N 3.27Å; S1588-R1590 VanDerWaalsContact C-N 3.31Å; S1588-R1590 PolarHBondContact O-N 3.42Å; S1588-F1591 PolarHBondContact O-N 3.32Å; S1588-L1592 PolarHBondContact O-N 3.49Å; S1588-L1592 VanDerWaalsContact O-N 3.1Å; S1588-R1620 PolarHBondContact OG-NH1 3.01Å |
| 1589 | R | 86.4 | Confident | 81.8 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | 170.9 | -76.7 | 172.5 | -178 | -155.9 | -5.1 | 113.5 | L1585 R1587 R1593 V1617 | L1585-R1589 VanDerWaalsContact O-CG 3.3Å; L1585-R1589 WeakPolarHBondContact O-CG 3.39Å; L1585-R1589 PolarHBondContact O-N 3.08Å; R1587-R1589 VanDerWaalsContact C-N 3.27Å; R1587-R1589 PolarHBondContact O-N 3.28Å; R1589-R1593 VanDerWaalsContact O-CG 3.26Å; R1589-R1593 WeakPolarHBondContact O-CG 3.47Å; R1589-R1593 PolarHBondContact O-N 2.94Å; R1589-V1617 HydrophobicContact CB-CG2 4.25Å; R1589-V1617 HydrophobicContact CG-CB 4.16Å; R1589-V1617 HydrophobicContact CG-CG1 3.38Å; R1589-V1617 HydrophobicContact CG-CG2 3.65Å |
| 1590 | R | 86.1 | Confident | 79.4 | Confident | 162 Ų | 162 | 76.5 Ų | 76.5 | 61% | 0.611 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -78 | -36.5 | 178.4 | -173.6 | 172.3 | 179 | 166.1 | 0.8 | 112.1 | K1586 R1587 S1588 L1594 | K1586-R1590 PolarHBondContact O-N 3.29Å; R1587-R1590 WeakPolarHBondContact O-CA 3.27Å; R1587-R1590 PolarHBondContact O-N 3.1Å; S1588-R1590 VanDerWaalsContact C-N 3.31Å; S1588-R1590 PolarHBondContact O-N 3.42Å; R1590-L1594 HydrophobicContact CG-CD1 4.09Å; R1590-L1594 WeakPolarHBondContact O-CG 3.48Å; R1590-L1594 PolarHBondContact O-N 2.75Å; R1590-L1594 VanDerWaalsContact O-N 3.09Å |
| 1591 | F | 84.9 | Confident | 76.9 | Confident | 47 Ų | 47 | 80 Ų | 80 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 178.1 | -177.3 | -93.8 | 0 | 0 | 0 | 111.6 | Q1542 R1587 S1588 R1593 L1594 I1595 R1620 | Q1542-F1591 HydrophobicContact CB-CE2 4.21Å; Q1542-F1591 HydrophobicContact CB-CZ 3.99Å; R1587-F1591 PolarHBondContact O-N 2.91Å; S1588-F1591 PolarHBondContact O-N 3.32Å; F1591-R1593 PolarHBondContact O-N 2.84Å; F1591-L1594 PolarHBondContact O-N 2.86Å; F1591-I1595 HydrophobicContact CD1-CD1 3.84Å; F1591-I1595 HydrophobicContact CE1-CD1 3.33Å; F1591-I1595 HydrophobicContact CE1-CG1 4.43Å; F1591-I1595 HydrophobicContact CZ-CD1 3.85Å; F1591-I1595 PolarHBondContact O-N 2.94Å; F1591-I1595 VanDerWaalsContact O-N 3.12Å; F1591-R1620 VanDerWaalsContact CD1-NE 3.25Å |
| 1592 | L | 82.2 | Confident | 74.2 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 179.5 | -72.4 | 164.7 | 0 | 0 | 0 | 113.1 | S1588 I1595 N1596 L1616 V1617 R1620 | S1588-L1592 PolarHBondContact O-N 3.49Å; S1588-L1592 VanDerWaalsContact O-N 3.1Å; L1592-I1595 PolarHBondContact O-N 3.26Å; L1592-N1596 PolarHBondContact O-N 3.33Å; L1592-N1596 PolarHBondContact O-OD1 2.84Å; L1592-L1616 HydrophobicContact CD1-CB 3.98Å; L1592-L1616 WeakPolarHBondContact CD1-O 3.46Å; L1592-L1616 HydrophobicContact CD2-CB 4.46Å; L1592-V1617 HydrophobicContact CB-CG2 4.5Å; L1592-V1617 HydrophobicContact CD1-CB 4.36Å; L1592-V1617 HydrophobicContact CD1-CG2 3.66Å; L1592-R1620 HydrophobicContact CD1-CB 4.08Å |
| 1593 | R | 80.1 | Confident | 71.4 | Confident | 133 Ų | 133 | 87.9 Ų | 87.9 | 50% | 0.502 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 170.6 | -77.8 | 177 | -177.1 | -165.8 | -2.8 | 112.4 | R1589 F1591 I1595 N1596 E1597 N1613 | R1589-R1593 VanDerWaalsContact O-CG 3.26Å; R1589-R1593 WeakPolarHBondContact O-CG 3.47Å; R1589-R1593 PolarHBondContact O-N 2.94Å; F1591-R1593 PolarHBondContact O-N 2.84Å; R1593-I1595 VanDerWaalsContact C-N 3.27Å; R1593-I1595 PolarHBondContact O-N 3.48Å; R1593-N1596 PolarHBondContact O-N 2.81Å; R1593-N1596 VanDerWaalsContact O-N 3.13Å; R1593-E1597 WeakPolarHBondContact O-CB 3.09Å; R1593-E1597 VanDerWaalsContact O-CG 3.23Å; R1593-E1597 WeakPolarHBondContact O-CG 3.42Å; R1593-E1597 PolarHBondContact O-N 3.05Å; R1593-N1613 PolarHBondContact N-OD1 3.27Å |
| 1594 | L | 77.9 | Confident | 68.6 | Low | 89 Ų | 89 | 90 Ų | 90 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 178.6 | -71.8 | 166 | 0 | 0 | 0 | 112.6 | R1590 F1591 S1598 | R1590-L1594 HydrophobicContact CG-CD1 4.09Å; R1590-L1594 WeakPolarHBondContact O-CG 3.48Å; R1590-L1594 PolarHBondContact O-N 2.75Å; R1590-L1594 VanDerWaalsContact O-N 3.09Å; F1591-L1594 PolarHBondContact O-N 2.86Å; L1594-S1598 PolarHBondContact O-N 3.22Å; L1594-S1598 VanDerWaalsContact O-N 3.13Å; L1594-S1598 PolarHBondContact O-OG 2.88Å |
| 1595 | I | 72.4 | Confident | 65.8 | Low | 70 Ų | 70 | 97 Ų | 97 | 36% | 0.359 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.1 | -51.2 | 171.7 | -71.5 | 174.6 | 0 | 0 | 0 | 110.2 | F1591 L1592 R1593 E1597 S1598 S1599 | F1591-I1595 HydrophobicContact CD1-CD1 3.84Å; F1591-I1595 HydrophobicContact CE1-CD1 3.33Å; F1591-I1595 HydrophobicContact CE1-CG1 4.43Å; F1591-I1595 HydrophobicContact CZ-CD1 3.85Å; F1591-I1595 PolarHBondContact O-N 2.94Å; F1591-I1595 VanDerWaalsContact O-N 3.12Å; L1592-I1595 PolarHBondContact O-N 3.26Å; R1593-I1595 VanDerWaalsContact C-N 3.27Å; R1593-I1595 PolarHBondContact O-N 3.48Å; I1595-E1597 PolarHBondContact O-N 2.96Å; I1595-S1598 WeakPolarHBondContact O-CA 3.33Å; I1595-S1598 PolarHBondContact O-N 2.88Å; I1595-S1598 PolarHBondContact O-OG 3.47Å; I1595-S1599 PolarHBondContact O-N 2.98Å; I1595-S1599 PolarHBondContact O-OG 3.37Å; I1595-S1599 VanDerWaalsContact O-OG 3.08Å |
| 1596 | N | 65.6 | Low | 63.4 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 23% | 0.225 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | -179.7 | -72.8 | 26.6 | 0 | 0 | 0 | 112.5 | L1592 R1593 S1598 S1599 E1600 N1613 | L1592-N1596 PolarHBondContact O-N 3.33Å; L1592-N1596 PolarHBondContact O-OD1 2.84Å; R1593-N1596 PolarHBondContact O-N 2.81Å; R1593-N1596 VanDerWaalsContact O-N 3.13Å; N1596-S1598 PolarHBondContact O-N 3.19Å; N1596-S1599 WeakPolarHBondContact O-CA 3.32Å; N1596-S1599 WeakPolarHBondContact O-CB 3.32Å; N1596-S1599 PolarHBondContact O-N 2.98Å; N1596-E1600 PolarHBondContact O-N 3.01Å; N1596-N1613 PolarHBondContact ND2-ND2 3.28Å; N1596-N1613 VanDerWaalsContact ND2-ND2 3.15Å |
| 1597 | E | 61.8 | Low | 61 | Low | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -32 | 172.7 | -72 | 162 | -155.1 | 0 | 0 | 111.8 | R1593 I1595 | R1593-E1597 WeakPolarHBondContact O-CB 3.09Å; R1593-E1597 VanDerWaalsContact O-CG 3.23Å; R1593-E1597 WeakPolarHBondContact O-CG 3.42Å; R1593-E1597 PolarHBondContact O-N 3.05Å; I1595-E1597 PolarHBondContact O-N 2.96Å |
| 1598 | S | 54.7 | Low | 58.8 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.2 | -24 | 172.1 | 74.6 | 0 | 0 | 0 | 0 | 114 | L1594 I1595 N1596 | L1594-S1598 PolarHBondContact O-N 3.22Å; L1594-S1598 VanDerWaalsContact O-N 3.13Å; L1594-S1598 PolarHBondContact O-OG 2.88Å; I1595-S1598 WeakPolarHBondContact O-CA 3.33Å; I1595-S1598 PolarHBondContact O-N 2.88Å; I1595-S1598 PolarHBondContact O-OG 3.47Å; N1596-S1598 PolarHBondContact O-N 3.19Å |
| 1599 | S | 49.1 | Very low | 57 | Low | 74 Ų | 74 | 108.9 Ų | 108.9 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -83.6 | -27.4 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | I1595 N1596 S1601 Q1602 | I1595-S1599 PolarHBondContact O-N 2.98Å; I1595-S1599 PolarHBondContact O-OG 3.37Å; I1595-S1599 VanDerWaalsContact O-OG 3.08Å; N1596-S1599 WeakPolarHBondContact O-CA 3.32Å; N1596-S1599 WeakPolarHBondContact O-CB 3.32Å; N1596-S1599 PolarHBondContact O-N 2.98Å; S1599-S1601 PolarHBondContact O-N 3.17Å; S1599-Q1602 PolarHBondContact O-N 3.36Å |
| 1600 | E | 43 | Very low | 55.4 | Low | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 2 | 179.6 | -76.4 | -178.6 | 157.1 | 0 | 0 | 114.4 | N1596 Q1602 | N1596-E1600 PolarHBondContact O-N 3.01Å; E1600-Q1602 PolarHBondContact O-N 3.49Å |
| 1601 | S | 42 | Very low | 53.8 | Low | 110 Ų | 110 | 105.5 Ų | 105.5 | 77% | 0.769 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -3 | 169.9 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | S1599 | S1599-S1601 PolarHBondContact O-N 3.17Š|
| 1602 | Q | 34 | Very low | 52.3 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -121.7 | 144.9 | 167.8 | -63.2 | -165.2 | -1.3 | 0 | 0 | 111.2 | F1194 S1599 E1600 | F1194-Q1602 VanDerWaalsContact CE1-NE2 3.3Å; S1599-Q1602 PolarHBondContact O-N 3.36Å; E1600-Q1602 PolarHBondContact O-N 3.49Å |
| 1603 | K | 34.8 | Very low | 51.2 | Low | 195 Ų | 195 | 107.7 Ų | 107.7 | 85% | 0.848 | 55% | 0.546 | S | S | * | . | trans | -85.9 | 139.5 | -159.4 | -88.6 | -174.6 | 174 | -177.7 | 0 | 114.7 | ||||
| 1604 | L | 34 | Very low | 50.2 | Low | 136 Ų | 136 | 105.9 Ų | 105.9 | 71% | 0.712 | 55% | 0.55 | S | S | * | . | trans | 53 | 120.1 | 156.5 | -76.9 | 79.4 | 0 | 0 | 0 | 115.3 | ||||
| 1605 | D | 36.1 | Very low | 49.5 | Very low | 148 Ų | 148 | 106.9 Ų | 106.9 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | -143.8 | 172.6 | 78.1 | -140.5 | -25.9 | 0 | 0 | 0 | 115.1 | R1607 | D1605-R1607 PolarHBondContact O-N 2.93Š| |||
| 1606 | H | 39 | Very low | 49.5 | Very low | 175 Ų | 175 | 107 Ų | 107 | 81% | 0.81 | 56% | 0.556 | S | S | * | * | trans | -74.1 | 93.7 | -168.3 | -75.8 | -92.2 | 0 | 0 | 0 | 114.6 | ||||
| 1607 | R | 39.4 | Very low | 49.7 | Very low | 206 Ų | 206 | 105.2 Ų | 105.2 | 78% | 0.777 | 55% | 0.546 | S | S | * | . | trans | -143.8 | 139.7 | 154.5 | -155.4 | 170.5 | -170.6 | 162.5 | 5.7 | 111.7 | D1605 P1609 | D1605-R1607 PolarHBondContact O-N 2.93Å; R1607-P1609 WeakPolarHBondContact O-CD 3.45Å | ||
| 1608 | S | 43.5 | Very low | 50.1 | Low | 54 Ų | 54 | 103.4 Ų | 103.4 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | trans | -57.4 | 115.4 | -175.5 | 177.9 | 0 | 0 | 0 | 0 | 112 | N1610 E1611 | S1608-N1610 PolarHBondContact O-N 3.43Å; S1608-N1610 VanDerWaalsContact O-N 3.09Å; S1608-E1611 PolarHBondContact O-N 3.21Å; S1608-E1611 VanDerWaalsContact O-N 3.1Å | ||
| 1609 | P | 49.2 | Very low | 51.2 | Low | 58 Ų | 58 | 103.5 Ų | 103.5 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -14.6 | -178.2 | 25.3 | -33.3 | 0 | 0 | 0 | 112.8 | R1607 N1613 | R1607-P1609 WeakPolarHBondContact O-CD 3.45Å; P1609-N1613 WeakPolarHBondContact O-CB 3.35Å; P1609-N1613 PolarHBondContact O-N 2.77Å; P1609-N1613 PolarHBondContact O-ND2 3.09Å |
| 1610 | N | 53 | Low | 53 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.5 | -31.9 | 174 | -76.8 | -49.6 | 0 | 0 | 0 | 113.3 | S1608 T1614 | S1608-N1610 PolarHBondContact O-N 3.43Å; S1608-N1610 VanDerWaalsContact O-N 3.09Å; N1610-T1614 WeakPolarHBondContact O-CB 3.49Å; N1610-T1614 PolarHBondContact O-N 3.06Å; N1610-T1614 PolarHBondContact O-OG1 3.06Å |
| 1611 | E | 52.4 | Low | 55.3 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.2 | -50.1 | -179.7 | -67.8 | -175.7 | 156 | 0 | 0 | 111.3 | S1608 N1613 T1614 I1615 | S1608-E1611 PolarHBondContact O-N 3.21Å; S1608-E1611 VanDerWaalsContact O-N 3.1Å; E1611-N1613 VanDerWaalsContact C-N 3.33Å; E1611-N1613 PolarHBondContact O-N 3.06Å; E1611-T1614 WeakPolarHBondContact O-CA 3.44Å; E1611-T1614 WeakPolarHBondContact O-CB 3.33Å; E1611-T1614 PolarHBondContact O-N 3.08Å; E1611-I1615 PolarHBondContact O-N 3.34Å; E1611-I1615 VanDerWaalsContact O-N 3.08Å |
| 1612 | L | 53.3 | Low | 57.4 | Low | 95 Ų | 95 | 92.6 Ų | 92.6 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | -179.2 | -169.9 | 63.4 | 0 | 0 | 0 | 111.4 | T1614 I1615 L1616 | L1612-T1614 VanDerWaalsContact C-N 3.26Å; L1612-T1614 PolarHBondContact O-N 2.81Å; L1612-I1615 PolarHBondContact O-N 2.62Å; L1612-L1616 HydrophobicContact CD1-CD1 3.66Å; L1612-L1616 HydrophobicContact CG-CD1 3.87Å; L1612-L1616 VanDerWaalsContact O-CD1 3.26Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.35Å; L1612-L1616 PolarHBondContact O-N 3.49Å |
| 1613 | N | 59.8 | Low | 59.9 | Low | 15 Ų | 15 | 90.4 Ų | 90.4 | 8% | 0.08 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -56.8 | -38.5 | 169.4 | -94.7 | -67.5 | 0 | 0 | 0 | 112.6 | R1593 N1596 P1609 E1611 I1615 V1617 | R1593-N1613 PolarHBondContact N-OD1 3.27Å; N1596-N1613 PolarHBondContact ND2-ND2 3.28Å; N1596-N1613 VanDerWaalsContact ND2-ND2 3.15Å; P1609-N1613 WeakPolarHBondContact O-CB 3.35Å; P1609-N1613 PolarHBondContact O-N 2.77Å; P1609-N1613 PolarHBondContact O-ND2 3.09Å; E1611-N1613 VanDerWaalsContact C-N 3.33Å; E1611-N1613 PolarHBondContact O-N 3.06Å; N1613-I1615 VanDerWaalsContact C-N 3.3Å; N1613-I1615 PolarHBondContact O-N 3.19Å; N1613-V1617 VanDerWaalsContact O-CB 3.24Å; N1613-V1617 WeakPolarHBondContact O-CB 3.44Å; N1613-V1617 WeakPolarHBondContact O-CG2 3.11Å; N1613-V1617 PolarHBondContact O-N 2.9Å |
| 1614 | T | 60.2 | Low | 62.6 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.5 | -25.6 | -179.5 | -60 | 0 | 0 | 0 | 0 | 112.3 | N1610 E1611 L1612 P1618 | N1610-T1614 WeakPolarHBondContact O-CB 3.49Å; N1610-T1614 PolarHBondContact O-N 3.06Å; N1610-T1614 PolarHBondContact O-OG1 3.06Å; E1611-T1614 WeakPolarHBondContact O-CA 3.44Å; E1611-T1614 WeakPolarHBondContact O-CB 3.33Å; E1611-T1614 PolarHBondContact O-N 3.08Å; L1612-T1614 VanDerWaalsContact C-N 3.26Å; L1612-T1614 PolarHBondContact O-N 2.81Å; T1614-P1618 WeakPolarHBondContact O-CD 3.41Å |
| 1615 | I | 62.2 | Low | 65.2 | Low | 111 Ų | 111 | 76.9 Ų | 76.9 | 57% | 0.569 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -83.2 | -43.2 | 177.5 | -63.7 | 167.8 | 0 | 0 | 0 | 112.2 | E1611 L1612 N1613 V1617 P1618 | E1611-I1615 PolarHBondContact O-N 3.34Å; E1611-I1615 VanDerWaalsContact O-N 3.08Å; L1612-I1615 PolarHBondContact O-N 2.62Å; N1613-I1615 VanDerWaalsContact C-N 3.3Å; N1613-I1615 PolarHBondContact O-N 3.19Å; I1615-V1617 VanDerWaalsContact C-N 3.32Å; I1615-V1617 PolarHBondContact O-N 3.45Å; I1615-P1618 WeakPolarHBondContact O-CD 3.25Å |
| 1616 | L | 73 | Confident | 67.6 | Low | 73 Ų | 73 | 75.7 Ų | 75.7 | 38% | 0.382 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.6 | -18.2 | 179.3 | -81.2 | 84 | 0 | 0 | 0 | 113.7 | L1592 L1612 D1619 R1620 | L1592-L1616 HydrophobicContact CD1-CB 3.98Å; L1592-L1616 WeakPolarHBondContact CD1-O 3.46Å; L1592-L1616 HydrophobicContact CD2-CB 4.46Å; L1612-L1616 HydrophobicContact CD1-CD1 3.66Å; L1612-L1616 HydrophobicContact CG-CD1 3.87Å; L1612-L1616 VanDerWaalsContact O-CD1 3.26Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.35Å; L1612-L1616 PolarHBondContact O-N 3.49Å; L1616-D1619 PolarHBondContact O-N 3.18Å; L1616-R1620 PolarHBondContact O-N 2.88Å |
| 1617 | V | 70.2 | Confident | 70 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.9 | -49.1 | -178.7 | 151.1 | 0 | 0 | 0 | 0 | 113.9 | L1585 R1589 L1592 N1613 I1615 D1619 Y1621 | L1585-V1617 HydrophobicContact CD1-CG1 3.75Å; R1589-V1617 HydrophobicContact CB-CG2 4.25Å; R1589-V1617 HydrophobicContact CG-CB 4.16Å; R1589-V1617 HydrophobicContact CG-CG1 3.38Å; R1589-V1617 HydrophobicContact CG-CG2 3.65Å; L1592-V1617 HydrophobicContact CB-CG2 4.5Å; L1592-V1617 HydrophobicContact CD1-CB 4.36Å; L1592-V1617 HydrophobicContact CD1-CG2 3.66Å; N1613-V1617 VanDerWaalsContact O-CB 3.24Å; N1613-V1617 WeakPolarHBondContact O-CB 3.44Å; N1613-V1617 WeakPolarHBondContact O-CG2 3.11Å; N1613-V1617 PolarHBondContact O-N 2.9Å; I1615-V1617 VanDerWaalsContact C-N 3.32Å; I1615-V1617 PolarHBondContact O-N 3.45Å; V1617-D1619 PolarHBondContact O-N 2.91Å; V1617-Y1621 VanDerWaalsContact O-CB 3.27Å; V1617-Y1621 WeakPolarHBondContact O-CB 3.48Å; V1617-Y1621 PolarHBondContact O-N 3.27Å; V1617-Y1621 VanDerWaalsContact O-N 3.14Å |
| 1618 | P | 69.5 | Low | 72.4 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 170.4 | -26.3 | 35.3 | 0 | 0 | 0 | 112.4 | T1614 I1615 G1622 | T1614-P1618 WeakPolarHBondContact O-CD 3.41Å; I1615-P1618 WeakPolarHBondContact O-CD 3.25Å; P1618-G1622 PolarHBondContact O-N 3.31Å |
| 1619 | D | 78.6 | Confident | 74.4 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.4 | -56.6 | -179.8 | -176.4 | 31.1 | 0 | 0 | 0 | 112.1 | L1616 V1617 Y1621 G1622 Q1623 | L1616-D1619 PolarHBondContact O-N 3.18Å; V1617-D1619 PolarHBondContact O-N 2.91Å; D1619-Y1621 VanDerWaalsContact C-N 3.26Å; D1619-Y1621 PolarHBondContact O-N 3.44Å; D1619-G1622 CarbonylContact O-C 3.59Å; D1619-G1622 WeakPolarHBondContact O-CA 3.43Å; D1619-G1622 PolarHBondContact O-N 2.88Å; D1619-Q1623 WeakPolarHBondContact O-CG 3.49Å; D1619-Q1623 PolarHBondContact O-N 2.71Å; D1619-Q1623 PolarHBondContact OD1-NE2 2.85Å; D1619-Q1623 PolarHBondContact OD2-NE2 2.93Å |
| 1620 | R | 87 | Confident | 76.2 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 175.4 | -176.1 | 179.3 | -177.4 | -94.5 | 6 | 112.1 | L1541 E1547 S1588 F1591 L1592 L1616 I1624 | L1541-R1620 PolarHBondContact O-NH2 2.8Å; E1547-R1620 IonicContact OE1-CZ 2.64Å; E1547-R1620 IonicContact OE1-NH1 3.94Å; E1547-R1620 PolarHBondContact OE1-NH1 2.71Å; E1547-R1620 IonicContact OE1-NH2 3.57Å; E1547-R1620 IonicContact OE2-CZ 3.67Å; E1547-R1620 IonicContact OE2-NH1 2.69Å; E1547-R1620 PolarHBondContact OE2-NH1 3.18Å; E1547-R1620 IonicContact OE2-NH2 2.71Å; E1547-R1620 PolarHBondContact OE2-NH2 3.19Å; S1588-R1620 PolarHBondContact OG-NH1 3.01Å; F1591-R1620 VanDerWaalsContact CD1-NE 3.25Å; L1592-R1620 HydrophobicContact CD1-CB 4.08Å; L1616-R1620 PolarHBondContact O-N 2.88Å; R1620-I1624 HydrophobicContact CG-CD1 3.91Å; R1620-I1624 WeakPolarHBondContact O-CB 3.21Å; R1620-I1624 VanDerWaalsContact O-CG1 3.24Å; R1620-I1624 WeakPolarHBondContact O-CG1 3.47Å; R1620-I1624 PolarHBondContact O-N 3.15Å; R1620-I1624 VanDerWaalsContact O-N 3.09Å |
| 1621 | Y | 90 | Very high | 78 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 175.9 | 172.7 | -98.2 | 0 | 0 | 0 | 112.2 | C1581 L1584 L1585 V1617 D1619 L1625 | C1581-Y1621 WeakPolarHBondContact CB-OH 3.44Å; C1581-Y1621 WeakPolarHBondContact O-CE2 3.07Å; L1584-Y1621 HydrophobicContact CB-CE2 4.25Å; L1584-Y1621 HydrophobicContact CD2-CD2 4.38Å; L1584-Y1621 HydrophobicContact CD2-CE2 4.22Å; L1584-Y1621 HydrophobicContact CG-CD2 4.15Å; L1584-Y1621 HydrophobicContact CG-CE2 4.24Å; L1585-Y1621 HydrophobicContact CB-CD2 3.79Å; L1585-Y1621 HydrophobicContact CB-CE2 3.85Å; L1585-Y1621 HydrophobicContact CB-CG 4.37Å; L1585-Y1621 HydrophobicContact CD1-CD1 4.17Å; L1585-Y1621 HydrophobicContact CD1-CD2 4.08Å; L1585-Y1621 HydrophobicContact CD1-CG 3.78Å; V1617-Y1621 VanDerWaalsContact O-CB 3.27Å; V1617-Y1621 WeakPolarHBondContact O-CB 3.48Å; V1617-Y1621 PolarHBondContact O-N 3.27Å; V1617-Y1621 VanDerWaalsContact O-N 3.14Å; D1619-Y1621 VanDerWaalsContact C-N 3.26Å; D1619-Y1621 PolarHBondContact O-N 3.44Å; Y1621-L1625 HydrophobicContact CD1-CD1 4.28Å; Y1621-L1625 HydrophobicContact CE1-CD1 3.61Å; Y1621-L1625 HydrophobicContact CE2-CD1 4.02Å; Y1621-L1625 VanDerWaalsContact CZ-CD1 3.46Å; Y1621-L1625 WeakPolarHBondContact O-CG 3.09Å; Y1621-L1625 PolarHBondContact O-N 3.3Å |
| 1622 | G | 86.7 | Confident | 79.8 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -50.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1618 D1619 I1624 L1625 L1626 | P1618-G1622 PolarHBondContact O-N 3.31Å; D1619-G1622 CarbonylContact O-C 3.59Å; D1619-G1622 WeakPolarHBondContact O-CA 3.43Å; D1619-G1622 PolarHBondContact O-N 2.88Å; G1622-I1624 VanDerWaalsContact C-N 3.35Å; G1622-I1624 PolarHBondContact O-N 3.47Å; G1622-L1625 CarbonylContact O-C 3.53Å; G1622-L1625 PolarHBondContact O-N 2.81Å; G1622-L1626 WeakPolarHBondContact O-CG 3.47Å; G1622-L1626 PolarHBondContact O-N 3.2Å |
| 1623 | Q | 86.2 | Confident | 81.4 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.2 | -50.8 | 175.2 | -68.6 | 169.9 | 20.6 | 0 | 0 | 111.4 | L1541 D1619 L1625 L1626 E1627 | L1541-Q1623 HydrophobicContact CD2-CB 4.15Å; D1619-Q1623 WeakPolarHBondContact O-CG 3.49Å; D1619-Q1623 PolarHBondContact O-N 2.71Å; D1619-Q1623 PolarHBondContact OD1-NE2 2.85Å; D1619-Q1623 PolarHBondContact OD2-NE2 2.93Å; Q1623-L1625 PolarHBondContact O-N 2.72Å; Q1623-L1626 PolarHBondContact O-N 2.91Å; Q1623-L1626 VanDerWaalsContact O-N 3.14Å; Q1623-E1627 PolarHBondContact O-N 3.5Å |
| 1624 | I | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -32 | 178.2 | -73.8 | 172 | 0 | 0 | 0 | 113 | L1541 L1543 L1551 L1584 R1620 G1622 | L1541-I1624 HydrophobicContact CD1-CG1 4.02Å; L1543-I1624 HydrophobicContact CD1-CD1 4.31Å; L1543-I1624 HydrophobicContact CD1-CG1 4.14Å; L1543-I1624 HydrophobicContact CD2-CG1 4.5Å; L1543-I1624 HydrophobicContact CD2-CG2 4.15Å; L1543-I1624 HydrophobicContact CG-CD1 4.24Å; L1543-I1624 HydrophobicContact CG-CG1 4.43Å; L1551-I1624 HydrophobicContact CD1-CG2 4.24Å; L1551-I1624 HydrophobicContact CD2-CG2 3.86Å; L1551-I1624 HydrophobicContact CG-CG2 4.43Å; L1584-I1624 HydrophobicContact CD1-CG2 4.33Å; L1584-I1624 HydrophobicContact CD2-CG2 3.94Å; R1620-I1624 HydrophobicContact CG-CD1 3.91Å; R1620-I1624 WeakPolarHBondContact O-CB 3.21Å; R1620-I1624 VanDerWaalsContact O-CG1 3.24Å; R1620-I1624 WeakPolarHBondContact O-CG1 3.47Å; R1620-I1624 PolarHBondContact O-N 3.15Å; R1620-I1624 VanDerWaalsContact O-N 3.09Å; G1622-I1624 VanDerWaalsContact C-N 3.35Å; G1622-I1624 PolarHBondContact O-N 3.47Å |
| 1625 | L | 89.4 | Confident | 84 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -85.7 | -27.8 | 176.8 | -69.8 | -177.7 | 0 | 0 | 0 | 113.7 | L1551 I1554 L1584 Y1621 G1622 Q1623 E1627 L1628 | L1551-L1625 HydrophobicContact CD2-CD2 4.23Å; I1554-L1625 HydrophobicContact CD1-CD2 4.4Å; I1554-L1625 HydrophobicContact CG2-CD2 4.46Å; L1584-L1625 HydrophobicContact CD2-CD2 4.13Å; Y1621-L1625 HydrophobicContact CD1-CD1 4.28Å; Y1621-L1625 HydrophobicContact CE1-CD1 3.61Å; Y1621-L1625 HydrophobicContact CE2-CD1 4.02Å; Y1621-L1625 VanDerWaalsContact CZ-CD1 3.46Å; Y1621-L1625 WeakPolarHBondContact O-CG 3.09Å; Y1621-L1625 PolarHBondContact O-N 3.3Å; G1622-L1625 CarbonylContact O-C 3.53Å; G1622-L1625 PolarHBondContact O-N 2.81Å; Q1623-L1625 PolarHBondContact O-N 2.72Å; L1625-E1627 VanDerWaalsContact C-N 3.32Å; L1625-E1627 PolarHBondContact O-N 3.24Å; L1625-L1628 HydrophobicContact CD2-CD1 3.82Å; L1625-L1628 WeakPolarHBondContact O-CB 3.41Å; L1625-L1628 PolarHBondContact O-N 3.38Å |
| 1626 | L | 87.4 | Confident | 85.2 | Confident | 123 Ų | 123 | 48.3 Ų | 48.3 | 64% | 0.644 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | 176.4 | -75.5 | 166.2 | 0 | 0 | 0 | 111.3 | G1622 Q1623 L1628 A1629 | G1622-L1626 WeakPolarHBondContact O-CG 3.47Å; G1622-L1626 PolarHBondContact O-N 3.2Å; Q1623-L1626 PolarHBondContact O-N 2.91Å; Q1623-L1626 VanDerWaalsContact O-N 3.14Å; L1626-L1628 PolarHBondContact O-N 2.89Å; L1626-L1628 VanDerWaalsContact O-N 3.09Å; L1626-A1629 VanDerWaalsContact O-CB 3.31Å; L1626-A1629 WeakPolarHBondContact O-CB 3.45Å; L1626-A1629 PolarHBondContact O-N 3.43Å |
| 1627 | E | 89.2 | Confident | 85.8 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -21.5 | 176.5 | -61.4 | -52.5 | 120.6 | 0 | 0 | 114 | L1534 I1537 F1538 L1541 Q1623 L1625 A1629 E1630 I1631 | L1534-E1627 HydrophobicContact CD1-CB 4.35Å; I1537-E1627 WeakPolarHBondContact CD1-OE2 3.41Å; I1537-E1627 VanDerWaalsContact CG2-CD 3.45Å; I1537-E1627 HydrophobicContact CG2-CG 3.83Å; F1538-E1627 HydrophobicContact CE2-CB 3.59Å; F1538-E1627 HydrophobicContact CE2-CG 4.09Å; F1538-E1627 HydrophobicContact CZ-CB 3.77Å; F1538-E1627 HydrophobicContact CZ-CG 4.43Å; L1541-E1627 HydrophobicContact CD1-CG 4.41Å; Q1623-E1627 PolarHBondContact O-N 3.5Å; L1625-E1627 VanDerWaalsContact C-N 3.32Å; L1625-E1627 PolarHBondContact O-N 3.24Å; E1627-A1629 PolarHBondContact O-N 3.47Å; E1627-E1630 PolarHBondContact O-N 3.43Å; E1627-I1631 PolarHBondContact O-N 3.01Å; E1627-I1631 VanDerWaalsContact O-N 3.07Å |
| 1628 | L | 88.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -22.9 | 174.1 | -64.7 | 179.8 | 0 | 0 | 0 | 112.6 | L1420 L1551 I1554 V1555 L1625 L1626 I1631 K1632 | L1420-L1628 HydrophobicContact CD1-CD2 4.45Å; L1551-L1628 HydrophobicContact CB-CD2 4.49Å; L1551-L1628 HydrophobicContact CD2-CD1 4.14Å; L1551-L1628 HydrophobicContact CD2-CD2 4.15Å; L1551-L1628 HydrophobicContact CD2-CG 4.32Å; I1554-L1628 HydrophobicContact CG2-CD1 4.25Å; V1555-L1628 HydrophobicContact CG2-CD1 4.3Å; V1555-L1628 HydrophobicContact CG2-CD2 3.79Å; L1625-L1628 HydrophobicContact CD2-CD1 3.82Å; L1625-L1628 WeakPolarHBondContact O-CB 3.41Å; L1625-L1628 PolarHBondContact O-N 3.38Å; L1626-L1628 PolarHBondContact O-N 2.89Å; L1626-L1628 VanDerWaalsContact O-N 3.09Å; L1628-I1631 HydrophobicContact CD2-CD1 4.05Å; L1628-K1632 WeakPolarHBondContact O-CB 3.49Å; L1628-K1632 PolarHBondContact O-N 2.78Å |
| 1629 | A | 86.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.6 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1626 E1627 K1632 F1633 | L1626-A1629 VanDerWaalsContact O-CB 3.31Å; L1626-A1629 WeakPolarHBondContact O-CB 3.45Å; L1626-A1629 PolarHBondContact O-N 3.43Å; E1627-A1629 PolarHBondContact O-N 3.47Å; A1629-K1632 WeakPolarHBondContact O-CB 3.3Å; A1629-K1632 PolarHBondContact O-N 2.9Å; A1629-F1633 PolarHBondContact O-N 2.93Å |
| 1630 | E | 86.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -76.3 | -34.4 | 176.8 | -72.7 | -70.1 | -175.6 | 0 | 0 | 111.8 | K1530 L1534 E1627 K1632 F1633 L1634 | K1530-E1630 IonicContact NZ-OE1 2.62Å; K1530-E1630 PolarHBondContact NZ-OE1 3.48Å; K1530-E1630 IonicContact NZ-OE2 3.95Å; K1530-E1630 PolarHBondContact NZ-OE2 2.95Å; L1534-E1630 HydrophobicContact CD1-CB 3.43Å; L1534-E1630 VanDerWaalsContact CD1-CB 3.43Å; E1627-E1630 PolarHBondContact O-N 3.43Å; E1630-K1632 VanDerWaalsContact C-N 3.32Å; E1630-K1632 PolarHBondContact O-N 3.11Å; E1630-F1633 PolarHBondContact O-N 3.26Å; E1630-L1634 WeakPolarHBondContact O-CB 3.3Å; E1630-L1634 WeakPolarHBondContact O-CG 3.38Å; E1630-L1634 PolarHBondContact O-N 3.09Å |
| 1631 | I | 90.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -45.6 | 167.2 | -74.4 | 160.5 | 0 | 0 | 0 | 110.8 | E1416 L1419 L1420 I1423 L1534 F1538 E1627 L1628 F1633 L1634 A1635 | E1416-I1631 HydrophobicContact CB-CG2 3.99Å; E1416-I1631 HydrophobicContact CG-CG2 4.04Å; L1419-I1631 HydrophobicContact CD2-CG2 4.39Å; L1420-I1631 HydrophobicContact CD2-CD1 3.69Å; L1420-I1631 HydrophobicContact CG-CD1 4.14Å; L1420-I1631 HydrophobicContact CG-CG2 4.39Å; I1423-I1631 HydrophobicContact CD1-CD1 4.03Å; I1423-I1631 HydrophobicContact CD1-CG1 3.79Å; L1534-I1631 HydrophobicContact CD1-CG1 3.99Å; L1534-I1631 HydrophobicContact CD2-CD1 4.38Å; L1534-I1631 HydrophobicContact CD2-CG1 3.88Å; F1538-I1631 HydrophobicContact CE2-CD1 3.68Å; F1538-I1631 HydrophobicContact CZ-CD1 3.59Å; E1627-I1631 PolarHBondContact O-N 3.01Å; E1627-I1631 VanDerWaalsContact O-N 3.07Å; L1628-I1631 HydrophobicContact CD2-CD1 4.05Å; I1631-F1633 PolarHBondContact O-N 2.9Å; I1631-L1634 PolarHBondContact O-N 3.38Å; I1631-A1635 WeakPolarHBondContact O-CB 3.27Å; I1631-A1635 PolarHBondContact O-N 2.96Å |
| 1632 | K | 89.2 | Confident | 87.4 | Confident | 80 Ų | 80 | 40.2 Ų | 40.2 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61 | -41.1 | 175 | 171.7 | 174.6 | 178.8 | -175 | 0 | 112.5 | E1416 L1628 A1629 E1630 F1636 | E1416-K1632 VanDerWaalsContact OE1-CA 3.28Å; E1416-K1632 WeakPolarHBondContact OE1-CA 3.3Å; E1416-K1632 VanDerWaalsContact OE1-CB 3.24Å; E1416-K1632 WeakPolarHBondContact OE1-CB 3.26Å; E1416-K1632 VanDerWaalsContact OE1-CG 3.29Å; E1416-K1632 WeakPolarHBondContact OE1-CG 3.28Å; L1628-K1632 WeakPolarHBondContact O-CB 3.49Å; L1628-K1632 PolarHBondContact O-N 2.78Å; A1629-K1632 WeakPolarHBondContact O-CB 3.3Å; A1629-K1632 PolarHBondContact O-N 2.9Å; E1630-K1632 VanDerWaalsContact C-N 3.32Å; E1630-K1632 PolarHBondContact O-N 3.11Å; K1632-F1636 WeakPolarHBondContact O-CB 3.2Å; K1632-F1636 PolarHBondContact O-N 3.06Å |
| 1633 | F | 87.2 | Confident | 87.5 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -50.9 | 176.5 | 177.2 | -106.8 | 0 | 0 | 0 | 111.9 | L1527 K1530 A1629 E1630 I1631 A1635 F1636 Q1637 | L1527-F1633 HydrophobicContact CD2-CD1 4.31Å; L1527-F1633 HydrophobicContact CD2-CE1 3.48Å; L1527-F1633 VanDerWaalsContact CD2-CE1 3.48Å; L1527-F1633 HydrophobicContact CD2-CZ 4.03Å; K1530-F1633 HydrophobicContact CD-CD1 3.83Å; K1530-F1633 HydrophobicContact CD-CE1 3.5Å; A1629-F1633 PolarHBondContact O-N 2.93Å; E1630-F1633 PolarHBondContact O-N 3.26Å; I1631-F1633 PolarHBondContact O-N 2.9Å; F1633-A1635 PolarHBondContact O-N 3.43Å; F1633-F1636 PolarHBondContact O-N 3.15Å; F1633-Q1637 HydrophobicContact CE1-CG 4.42Å; F1633-Q1637 HydrophobicContact CE2-CG 4.29Å; F1633-Q1637 HydrophobicContact CZ-CG 4.19Å; F1633-Q1637 VanDerWaalsContact O-CG 3.32Å; F1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; F1633-Q1637 PolarHBondContact O-N 2.79Å; F1633-Q1637 VanDerWaalsContact O-N 3.08Å |
| 1634 | L | 86.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 178.7 | -70.6 | 168.6 | 0 | 0 | 0 | 112.1 | L1419 L1527 K1530 L1531 E1630 I1631 Q1637 L1638 | L1419-L1634 HydrophobicContact CD2-CB 3.52Å; L1419-L1634 HydrophobicContact CD2-CD1 4.39Å; L1527-L1634 HydrophobicContact CD2-CD2 4.12Å; K1530-L1634 HydrophobicContact CB-CD2 4.3Å; L1531-L1634 HydrophobicContact CB-CD1 4.38Å; L1531-L1634 HydrophobicContact CD1-CD1 4.03Å; E1630-L1634 WeakPolarHBondContact O-CB 3.3Å; E1630-L1634 WeakPolarHBondContact O-CG 3.38Å; E1630-L1634 PolarHBondContact O-N 3.09Å; I1631-L1634 PolarHBondContact O-N 3.38Å; L1634-Q1637 PolarHBondContact O-N 3.12Å; L1634-L1638 PolarHBondContact O-N 3.34Å |
| 1635 | A | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1416 L1419 I1631 F1633 Q1637 L1638 E1639 | E1416-A1635 HydrophobicContact CB-CB 4.31Å; E1416-A1635 HydrophobicContact CG-CB 3.42Å; E1416-A1635 VanDerWaalsContact CG-CB 3.42Å; L1419-A1635 HydrophobicContact CD2-CB 4.48Å; I1631-A1635 WeakPolarHBondContact O-CB 3.27Å; I1631-A1635 PolarHBondContact O-N 2.96Å; F1633-A1635 PolarHBondContact O-N 3.43Å; A1635-Q1637 VanDerWaalsContact C-N 3.3Å; A1635-Q1637 PolarHBondContact O-N 3.39Å; A1635-L1638 PolarHBondContact O-N 2.7Å; A1635-E1639 WeakPolarHBondContact O-CG 3.42Å; A1635-E1639 PolarHBondContact O-N 2.87Å |
| 1636 | F | 87.3 | Confident | 87 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 43% | 0.434 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.3 | -37 | 173.2 | 174.2 | -111.8 | 0 | 0 | 0 | 112.3 | K1632 F1633 E1639 N1640 | K1632-F1636 WeakPolarHBondContact O-CB 3.2Å; K1632-F1636 PolarHBondContact O-N 3.06Å; F1633-F1636 PolarHBondContact O-N 3.15Å; F1636-E1639 PolarHBondContact O-N 2.96Å; F1636-N1640 WeakPolarHBondContact CD1-ND2 3.26Å; F1636-N1640 WeakPolarHBondContact CE1-ND2 3.4Å; F1636-N1640 VanDerWaalsContact CZ-ND2 3.33Å; F1636-N1640 WeakPolarHBondContact CZ-ND2 3.29Å; F1636-N1640 VanDerWaalsContact O-CG 3.26Å; F1636-N1640 PolarHBondContact O-N 2.83Å; F1636-N1640 PolarHBondContact O-ND2 3.07Å |
| 1637 | Q | 84.8 | Confident | 86.9 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 23% | 0.234 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.1 | -37 | 177.3 | -63.8 | -72.5 | 59 | 0 | 0 | 112.4 | L1527 F1633 L1634 A1635 N1640 F1641 | L1527-Q1637 HydrophobicContact CD2-CB 4.26Å; L1527-Q1637 HydrophobicContact CD2-CG 3.91Å; F1633-Q1637 HydrophobicContact CE1-CG 4.42Å; F1633-Q1637 HydrophobicContact CE2-CG 4.29Å; F1633-Q1637 HydrophobicContact CZ-CG 4.19Å; F1633-Q1637 VanDerWaalsContact O-CG 3.32Å; F1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; F1633-Q1637 PolarHBondContact O-N 2.79Å; F1633-Q1637 VanDerWaalsContact O-N 3.08Å; L1634-Q1637 PolarHBondContact O-N 3.12Å; A1635-Q1637 VanDerWaalsContact C-N 3.3Å; A1635-Q1637 PolarHBondContact O-N 3.39Å; Q1637-N1640 PolarHBondContact O-N 2.78Å; Q1637-N1640 PolarHBondContact OE1-ND2 3.28Å; Q1637-F1641 WeakPolarHBondContact O-CB 3.36Å; Q1637-F1641 PolarHBondContact O-N 2.64Å |
| 1638 | L | 84.9 | Confident | 86.7 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 169.3 | 178.7 | 61.5 | 0 | 0 | 0 | 111.5 | L1509 L1510 L1634 A1635 F1641 L1642 | L1509-L1638 HydrophobicContact CD2-CD1 4.36Å; L1510-L1638 HydrophobicContact CD2-CD1 4.49Å; L1634-L1638 PolarHBondContact O-N 3.34Å; A1635-L1638 PolarHBondContact O-N 2.7Å; L1638-F1641 PolarHBondContact O-N 2.93Å; L1638-L1642 HydrophobicContact CD1-CD1 3.96Å; L1638-L1642 HydrophobicContact CD1-CG 4.23Å; L1638-L1642 HydrophobicContact CG-CD1 3.96Å; L1638-L1642 WeakPolarHBondContact O-CB 3.3Å; L1638-L1642 VanDerWaalsContact O-CG 3.26Å; L1638-L1642 WeakPolarHBondContact O-CG 3.35Å; L1638-L1642 PolarHBondContact O-N 2.67Å |
| 1639 | E | 87.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 174.7 | -74.7 | 174 | -156.9 | 0 | 0 | 113.3 | W1414 S1415 A1635 F1636 F1641 L1642 L1643 L1661 K1664 R1665 | W1414-E1639 HydrophobicContact CH2-CG 4.41Å; W1414-E1639 HydrophobicContact CZ2-CG 4.03Å; S1415-E1639 WeakPolarHBondContact CB-OE1 3.38Å; S1415-E1639 PolarHBondContact OG-OE1 3.27Å; A1635-E1639 WeakPolarHBondContact O-CG 3.42Å; A1635-E1639 PolarHBondContact O-N 2.87Å; F1636-E1639 PolarHBondContact O-N 2.96Å; E1639-F1641 VanDerWaalsContact C-N 3.31Å; E1639-F1641 PolarHBondContact O-N 3.45Å; E1639-L1642 PolarHBondContact O-N 2.86Å; E1639-L1643 VanDerWaalsContact O-CB 3.25Å; E1639-L1643 WeakPolarHBondContact O-CB 3.06Å; E1639-L1643 PolarHBondContact O-N 2.93Å; E1639-L1661 HydrophobicContact CB-CD2 4.44Å; E1639-L1661 HydrophobicContact CG-CD2 4.46Å; E1639-K1664 WeakPolarHBondContact OE1-CE 3.15Å; E1639-K1664 IonicContact OE1-NZ 2.86Å; E1639-K1664 PolarHBondContact OE1-NZ 3.23Å; E1639-K1664 WeakPolarHBondContact OE2-CD 3.43Å; E1639-K1664 IonicContact OE2-NZ 2.59Å; E1639-R1665 IonicContact OE2-NH2 3.98Å |
| 1640 | N | 85.8 | Confident | 86.2 | Confident | 33 Ų | 33 | 49 Ų | 49 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 175.5 | -75.5 | -28.5 | 0 | 0 | 0 | 110.4 | F1636 Q1637 L1643 I1644 R1665 | F1636-N1640 WeakPolarHBondContact CD1-ND2 3.26Å; F1636-N1640 WeakPolarHBondContact CE1-ND2 3.4Å; F1636-N1640 VanDerWaalsContact CZ-ND2 3.33Å; F1636-N1640 WeakPolarHBondContact CZ-ND2 3.29Å; F1636-N1640 VanDerWaalsContact O-CG 3.26Å; F1636-N1640 PolarHBondContact O-N 2.83Å; F1636-N1640 PolarHBondContact O-ND2 3.07Å; Q1637-N1640 PolarHBondContact O-N 2.78Å; Q1637-N1640 PolarHBondContact OE1-ND2 3.28Å; N1640-L1643 PolarHBondContact O-N 2.91Å; N1640-I1644 WeakPolarHBondContact O-CD1 3.48Å; N1640-I1644 VanDerWaalsContact O-CG1 3.29Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.25Å; N1640-I1644 PolarHBondContact O-N 2.78Å; N1640-R1665 VanDerWaalsContact OD1-CZ 3.26Å; N1640-R1665 PolarHBondContact OD1-NH1 3.49Å; N1640-R1665 PolarHBondContact OD1-NH2 2.65Å |
| 1641 | F | 84.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -51.6 | 178.9 | 174.1 | -94.4 | 0 | 0 | 0 | 112 | L1374 L1513 Q1637 L1638 E1639 L1643 I1644 R1645 | L1374-F1641 HydrophobicContact CD1-CE1 3.89Å; L1374-F1641 HydrophobicContact CD1-CZ 4.31Å; L1513-F1641 HydrophobicContact CB-CD1 4.22Å; L1513-F1641 HydrophobicContact CB-CD2 3.94Å; L1513-F1641 HydrophobicContact CB-CE1 3.91Å; L1513-F1641 HydrophobicContact CB-CE2 3.6Å; L1513-F1641 HydrophobicContact CB-CG 4.26Å; L1513-F1641 HydrophobicContact CB-CZ 3.61Å; L1513-F1641 HydrophobicContact CD1-CD1 4.38Å; L1513-F1641 HydrophobicContact CD1-CE1 3.4Å; L1513-F1641 HydrophobicContact CD1-CE2 4.14Å; L1513-F1641 HydrophobicContact CD1-CZ 3.27Å; L1513-F1641 HydrophobicContact CD2-CE2 4.15Å; L1513-F1641 HydrophobicContact CD2-CZ 3.93Å; L1513-F1641 HydrophobicContact CG-CE1 4.18Å; L1513-F1641 HydrophobicContact CG-CE2 4.15Å; L1513-F1641 HydrophobicContact CG-CZ 3.76Å; L1513-F1641 WeakPolarHBondContact O-CD2 3.33Å; Q1637-F1641 WeakPolarHBondContact O-CB 3.36Å; Q1637-F1641 PolarHBondContact O-N 2.64Å; L1638-F1641 PolarHBondContact O-N 2.93Å; E1639-F1641 VanDerWaalsContact C-N 3.31Å; E1639-F1641 PolarHBondContact O-N 3.45Å; F1641-L1643 VanDerWaalsContact C-N 3.34Å; F1641-L1643 PolarHBondContact O-N 3.37Å; F1641-I1644 PolarHBondContact O-N 2.79Å; F1641-R1645 HydrophobicContact CE1-CG 3.76Å; F1641-R1645 HydrophobicContact CE2-CG 3.83Å; F1641-R1645 HydrophobicContact CZ-CG 3.27Å; F1641-R1645 PolarHBondContact O-N 3.46Å; F1641-R1645 VanDerWaalsContact O-N 3.11Å |
| 1642 | L | 87.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | -179.8 | -68.3 | 166.9 | 0 | 0 | 0 | 111.7 | L1377 L1381 W1414 L1638 E1639 I1644 R1645 Y1646 I1651 L1657 L1661 | L1377-L1642 HydrophobicContact CD2-CD2 4.16Å; L1381-L1642 HydrophobicContact CD1-CD1 3.55Å; L1381-L1642 HydrophobicContact CD1-CD2 4.1Å; L1381-L1642 HydrophobicContact CD1-CG 4.47Å; W1414-L1642 HydrophobicContact CH2-CD1 4.2Å; L1638-L1642 HydrophobicContact CD1-CD1 3.96Å; L1638-L1642 HydrophobicContact CD1-CG 4.23Å; L1638-L1642 HydrophobicContact CG-CD1 3.96Å; L1638-L1642 WeakPolarHBondContact O-CB 3.3Å; L1638-L1642 VanDerWaalsContact O-CG 3.26Å; L1638-L1642 WeakPolarHBondContact O-CG 3.35Å; L1638-L1642 PolarHBondContact O-N 2.67Å; E1639-L1642 PolarHBondContact O-N 2.86Å; L1642-I1644 PolarHBondContact O-N 3.32Å; L1642-R1645 PolarHBondContact O-N 3.24Å; L1642-Y1646 WeakPolarHBondContact O-CB 3.5Å; L1642-Y1646 PolarHBondContact O-N 3.04Å; L1642-I1651 HydrophobicContact CB-CD1 4.17Å; L1642-I1651 HydrophobicContact CD2-CD1 3.99Å; L1642-I1651 VanDerWaalsContact O-CD1 3.27Å; L1642-I1651 WeakPolarHBondContact O-CD1 3.42Å; L1642-L1657 HydrophobicContact CD1-CD1 4.46Å; L1642-L1661 HydrophobicContact CB-CD1 3.86Å; L1642-L1661 HydrophobicContact CB-CD2 3.88Å |
| 1643 | L | 88.2 | Confident | 84.4 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 177 | -173.9 | 71.4 | 0 | 0 | 0 | 112.7 | E1639 N1640 F1641 Y1646 R1647 L1662 | E1639-L1643 VanDerWaalsContact O-CB 3.25Å; E1639-L1643 WeakPolarHBondContact O-CB 3.06Å; E1639-L1643 PolarHBondContact O-N 2.93Å; N1640-L1643 PolarHBondContact O-N 2.91Å; F1641-L1643 VanDerWaalsContact C-N 3.34Å; F1641-L1643 PolarHBondContact O-N 3.37Å; L1643-Y1646 PolarHBondContact O-N 3.24Å; L1643-R1647 WeakPolarHBondContact O-CG 3.15Å; L1643-R1647 PolarHBondContact O-N 3.22Å; L1643-L1662 HydrophobicContact CD1-CD2 4.18Å |
| 1644 | I | 83.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173.3 | -69.8 | 162.4 | 0 | 0 | 0 | 109.7 | N1640 F1641 L1642 Y1646 R1647 L1648 | N1640-I1644 WeakPolarHBondContact O-CD1 3.48Å; N1640-I1644 VanDerWaalsContact O-CG1 3.29Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.25Å; N1640-I1644 PolarHBondContact O-N 2.78Å; F1641-I1644 PolarHBondContact O-N 2.79Å; L1642-I1644 PolarHBondContact O-N 3.32Å; I1644-Y1646 PolarHBondContact O-N 3.41Å; I1644-R1647 PolarHBondContact O-N 3.24Å; I1644-L1648 HydrophobicContact CG2-CD1 4.1Å; I1644-L1648 WeakPolarHBondContact O-CG 3.32Å; I1644-L1648 PolarHBondContact O-N 3.5Å |
| 1645 | R | 85.2 | Confident | 83.8 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 177.3 | -63.9 | -58.5 | 177.3 | 110.9 | -3.8 | 113.3 | D1371 L1374 F1641 L1642 L1648 G1649 K1650 I1651 | D1371-R1645 IonicContact OD1-NH1 3.59Å; L1374-R1645 HydrophobicContact CD1-CB 4.43Å; L1374-R1645 HydrophobicContact CD1-CG 4.27Å; L1374-R1645 HydrophobicContact CD2-CB 3.89Å; L1374-R1645 HydrophobicContact CD2-CG 3.76Å; F1641-R1645 HydrophobicContact CE1-CG 3.76Å; F1641-R1645 HydrophobicContact CE2-CG 3.83Å; F1641-R1645 HydrophobicContact CZ-CG 3.27Å; F1641-R1645 PolarHBondContact O-N 3.46Å; F1641-R1645 VanDerWaalsContact O-N 3.11Å; L1642-R1645 PolarHBondContact O-N 3.24Å; R1645-L1648 CarbonylContact O-C 3.58Å; R1645-L1648 PolarHBondContact O-N 3.05Å; R1645-G1649 PolarHBondContact O-N 2.98Å; R1645-K1650 HydrophobicContact CB-CB 4.36Å; R1645-K1650 WeakPolarHBondContact O-CB 3.47Å; R1645-K1650 PolarHBondContact O-N 3.23Å; R1645-I1651 HydrophobicContact CB-CD1 4.19Å; R1645-I1651 HydrophobicContact CB-CG1 4.18Å |
| 1646 | Y | 87.9 | Confident | 83.8 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 169.2 | 177.7 | -86.1 | 0 | 0 | 0 | 111.5 | L1642 L1643 I1644 L1648 G1649 I1651 L1662 | L1642-Y1646 WeakPolarHBondContact O-CB 3.5Å; L1642-Y1646 PolarHBondContact O-N 3.04Å; L1643-Y1646 PolarHBondContact O-N 3.24Å; I1644-Y1646 PolarHBondContact O-N 3.41Å; Y1646-L1648 PolarHBondContact O-N 3.16Å; Y1646-G1649 PolarHBondContact O-N 3.27Å; Y1646-I1651 HydrophobicContact CD2-CB 4.29Å; Y1646-I1651 HydrophobicContact CD2-CG2 4.48Å; Y1646-L1662 HydrophobicContact CD1-CD2 4.31Å; Y1646-L1662 HydrophobicContact CE1-CD1 4.14Å; Y1646-L1662 HydrophobicContact CE1-CD2 3.97Å; Y1646-L1662 HydrophobicContact CE1-CG 4.44Å; Y1646-L1662 HydrophobicContact CE2-CD1 4.41Å |
| 1647 | R | 84.8 | Confident | 83.9 | Confident | 175 Ų | 175 | 47.9 Ų | 47.9 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62 | -27.5 | 177.4 | -74.4 | 175 | 174 | -172.7 | -3.5 | 113.4 | L1643 I1644 G1649 | L1643-R1647 WeakPolarHBondContact O-CG 3.15Å; L1643-R1647 PolarHBondContact O-N 3.22Å; I1644-R1647 PolarHBondContact O-N 3.24Å; R1647-G1649 VanDerWaalsContact C-N 3.27Å; R1647-G1649 PolarHBondContact O-N 2.93Å |
| 1648 | L | 85.3 | Confident | 84.1 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 60% | 0.602 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.4 | 173 | -66.1 | 170.4 | 0 | 0 | 0 | 113.7 | I1644 R1645 Y1646 K1650 | I1644-L1648 HydrophobicContact CG2-CD1 4.1Å; I1644-L1648 WeakPolarHBondContact O-CG 3.32Å; I1644-L1648 PolarHBondContact O-N 3.5Å; R1645-L1648 CarbonylContact O-C 3.58Å; R1645-L1648 PolarHBondContact O-N 3.05Å; Y1646-L1648 PolarHBondContact O-N 3.16Å; L1648-K1650 HydrophobicContact CB-CG 4.35Å; L1648-K1650 PolarHBondContact O-N 3.33Å |
| 1649 | G | 82.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 9.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | R1645 Y1646 R1647 I1651 | R1645-G1649 PolarHBondContact O-N 2.98Å; Y1646-G1649 PolarHBondContact O-N 3.27Å; R1647-G1649 VanDerWaalsContact C-N 3.27Å; R1647-G1649 PolarHBondContact O-N 2.93Å; G1649-I1651 VanDerWaalsContact C-N 3.33Å |
| 1650 | K | 82.1 | Confident | 84.4 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | trans | -87 | -0.3 | -176.8 | -62.5 | -167 | 165.7 | -165.7 | 0 | 114.2 | D1371 L1374 R1645 L1648 | D1371-K1650 WeakPolarHBondContact OD1-CD 3.4Å; D1371-K1650 IonicContact OD1-NZ 2.89Å; D1371-K1650 PolarHBondContact OD1-NZ 3.39Å; D1371-K1650 IonicContact OD2-NZ 1.91Å; D1371-K1650 PolarHBondContact OD2-NZ 3.47Å; L1374-K1650 HydrophobicContact CD2-CB 3.83Å; L1374-K1650 HydrophobicContact CD2-CD 4.35Å; R1645-K1650 HydrophobicContact CB-CB 4.36Å; R1645-K1650 WeakPolarHBondContact O-CB 3.47Å; R1645-K1650 PolarHBondContact O-N 3.23Å; L1648-K1650 HydrophobicContact CB-CG 4.35Å; L1648-K1650 PolarHBondContact O-N 3.33Å | ||
| 1651 | I | 83.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -124.5 | 132.6 | 170.7 | -54 | -173 | 0 | 0 | 0 | 106.3 | L1642 R1645 Y1646 G1649 N1653 L1657 | L1642-I1651 HydrophobicContact CB-CD1 4.17Å; L1642-I1651 HydrophobicContact CD2-CD1 3.99Å; L1642-I1651 VanDerWaalsContact O-CD1 3.27Å; L1642-I1651 WeakPolarHBondContact O-CD1 3.42Å; R1645-I1651 HydrophobicContact CB-CD1 4.19Å; R1645-I1651 HydrophobicContact CB-CG1 4.18Å; Y1646-I1651 HydrophobicContact CD2-CB 4.29Å; Y1646-I1651 HydrophobicContact CD2-CG2 4.48Å; G1649-I1651 VanDerWaalsContact C-N 3.33Å; I1651-N1653 PolarHBondContact O-N 3.23Å; I1651-L1657 HydrophobicContact CG2-CD2 4.38Å |
| 1652 | P | 76 | Confident | 84.6 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -58.8 | 126.8 | -178.5 | 21.5 | -32.3 | 0 | 0 | 0 | 111.8 | E1654 S1655 | P1652-E1654 PolarHBondContact O-N 3.24Å; P1652-S1655 PolarHBondContact O-OG 3.09Å | ||
| 1653 | N | 68 | Low | 84.2 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -57.2 | -7 | -172.3 | -72.5 | -9.2 | 0 | 0 | 0 | 116.5 | I1651 | I1651-N1653 PolarHBondContact O-N 3.23Š|
| 1654 | E | 76.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -147.8 | 60.7 | -167.4 | -142.9 | 178.7 | -52.6 | 0 | 0 | 107.7 | R182 P1652 S1658 | R182-E1654 WeakPolarHBondContact CB-O 3.35Å; R182-E1654 VanDerWaalsContact CD-O 3.3Å; R182-E1654 WeakPolarHBondContact CD-O 3.42Å; R182-E1654 HydrophobicContact CG-CB 4.28Å; R182-E1654 HydrophobicContact CG-CG 3.96Å; R182-E1654 WeakPolarHBondContact CG-OE2 3.43Å; R182-E1654 IonicContact CZ-OE1 3.7Å; R182-E1654 IonicContact CZ-OE2 2.67Å; R182-E1654 IonicContact NE-OE1 2.78Å; R182-E1654 IonicContact NE-OE2 2.79Å; R182-E1654 PolarHBondContact NE-OE2 3.49Å; R182-E1654 IonicContact NH2-OE1 3.91Å; R182-E1654 PolarHBondContact NH2-OE1 2.95Å; R182-E1654 IonicContact NH2-OE2 2.64Å; R182-E1654 PolarHBondContact NH2-OE2 3.45Å; P1652-E1654 PolarHBondContact O-N 3.24Å; E1654-S1658 PolarHBondContact N-OG 3.27Å |
| 1655 | S | 85.7 | Confident | 82 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -122 | 157.9 | 178 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | E1382 P1652 L1657 S1658 E1659 | E1382-S1655 WeakPolarHBondContact OE1-CB 3.39Å; P1652-S1655 PolarHBondContact O-OG 3.09Å; S1655-L1657 PolarHBondContact O-N 2.92Å; S1655-S1658 PolarHBondContact N-OG 3.06Å; S1655-S1658 PolarHBondContact O-N 3.09Å; S1655-S1658 PolarHBondContact O-OG 3.23Å; S1655-S1658 WeakPolarHBondContact OG-CB 3.09Å; S1655-S1658 PolarHBondContact OG-N 2.91Å; S1655-S1658 PolarHBondContact OG-OG 3.39Å; S1655-E1659 PolarHBondContact O-N 3.34Å |
| 1656 | L | 88.3 | Confident | 80.2 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -36.4 | 172.1 | -178.3 | 61.6 | 0 | 0 | 0 | 111 | L1385 F1386 E1659 M1660 | L1385-L1656 HydrophobicContact CB-CD2 3.78Å; L1385-L1656 HydrophobicContact CB-CG 4.27Å; L1385-L1656 HydrophobicContact CD1-CG 4.44Å; F1386-L1656 HydrophobicContact CD1-CD2 4.16Å; F1386-L1656 HydrophobicContact CD2-CD2 3.91Å; F1386-L1656 HydrophobicContact CE1-CD2 3.94Å; F1386-L1656 HydrophobicContact CE2-CB 4.22Å; F1386-L1656 HydrophobicContact CE2-CD2 3.66Å; F1386-L1656 HydrophobicContact CG-CD2 4.12Å; F1386-L1656 HydrophobicContact CZ-CB 4.3Å; F1386-L1656 HydrophobicContact CZ-CD2 3.64Å; L1656-E1659 PolarHBondContact O-N 3.14Å; L1656-M1660 HydrophobicContact CD1-CE 3.78Å; L1656-M1660 HydrophobicContact CD1-CG 4.44Å; L1656-M1660 WeakPolarHBondContact O-CB 3.49Å; L1656-M1660 WeakPolarHBondContact O-CG 3.19Å; L1656-M1660 PolarHBondContact O-N 2.78Å |
| 1657 | L | 90.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.5 | -177.1 | 59.7 | 0 | 0 | 0 | 112.2 | C1378 L1381 E1382 L1385 W1414 L1642 I1651 S1655 M1660 L1661 | C1378-L1657 HydrophobicContact CB-CD2 4.03Å; L1381-L1657 HydrophobicContact CB-CD1 4.14Å; L1381-L1657 HydrophobicContact CB-CD2 4.08Å; L1381-L1657 HydrophobicContact CD1-CD1 4.32Å; L1381-L1657 HydrophobicContact CD1-CD2 4.29Å; E1382-L1657 HydrophobicContact CG-CB 3.79Å; L1385-L1657 HydrophobicContact CD1-CB 4.17Å; L1385-L1657 HydrophobicContact CD1-CD1 3.84Å; W1414-L1657 HydrophobicContact CH2-CD1 3.8Å; W1414-L1657 HydrophobicContact CZ3-CD1 4.08Å; L1642-L1657 HydrophobicContact CD1-CD1 4.46Å; I1651-L1657 HydrophobicContact CG2-CD2 4.38Å; S1655-L1657 PolarHBondContact O-N 2.92Å; L1657-M1660 PolarHBondContact O-N 2.81Å; L1657-L1661 HydrophobicContact CD1-CD1 4.19Å; L1657-L1661 HydrophobicContact CD1-CG 4.43Å; L1657-L1661 HydrophobicContact CG-CD1 3.96Å; L1657-L1661 WeakPolarHBondContact O-CB 3.48Å; L1657-L1661 WeakPolarHBondContact O-CD1 3.37Å; L1657-L1661 VanDerWaalsContact O-CG 3.27Å; L1657-L1661 WeakPolarHBondContact O-CG 3.35Å; L1657-L1661 PolarHBondContact O-N 3.5Å |
| 1658 | S | 88.9 | Confident | 75.4 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 175 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | E1654 S1655 M1660 L1661 L1662 | E1654-S1658 PolarHBondContact N-OG 3.27Å; S1655-S1658 PolarHBondContact N-OG 3.06Å; S1655-S1658 PolarHBondContact O-N 3.09Å; S1655-S1658 PolarHBondContact O-OG 3.23Å; S1655-S1658 WeakPolarHBondContact OG-CB 3.09Å; S1655-S1658 PolarHBondContact OG-N 2.91Å; S1655-S1658 PolarHBondContact OG-OG 3.39Å; S1658-M1660 VanDerWaalsContact C-N 3.29Å; S1658-M1660 PolarHBondContact O-N 3.22Å; S1658-L1661 PolarHBondContact O-N 3.45Å; S1658-L1662 WeakPolarHBondContact O-CB 3.36Å; S1658-L1662 VanDerWaalsContact O-CG 3.28Å; S1658-L1662 WeakPolarHBondContact O-CG 3.26Å; S1658-L1662 PolarHBondContact O-N 3.22Å |
| 1659 | E | 88.2 | Confident | 72.5 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 173.1 | -70.6 | -170 | -150.1 | 0 | 0 | 110.6 | G181 S1655 L1656 T1663 | G181-E1659 PolarHBondContact N-OE1 2.93Å; S1655-E1659 PolarHBondContact O-N 3.34Å; L1656-E1659 PolarHBondContact O-N 3.14Å; E1659-T1663 WeakPolarHBondContact O-CB 3.43Å; E1659-T1663 VanDerWaalsContact O-CG2 3.23Å; E1659-T1663 WeakPolarHBondContact O-CG2 3.37Å; E1659-T1663 PolarHBondContact O-N 3.15Å; E1659-T1663 VanDerWaalsContact O-N 3.15Å; E1659-T1663 PolarHBondContact O-OG1 2.65Å |
| 1660 | M | 89 | Confident | 69.8 | Low | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.3 | -29.2 | 179.1 | -68.2 | -68.2 | 157.4 | 0 | 0 | 114.7 | L1385 L1410 N1411 W1414 L1656 L1657 S1658 | L1385-M1660 HydrophobicContact CD1-CB 4.31Å; L1385-M1660 HydrophobicContact CD1-CG 4.02Å; L1385-M1660 HydrophobicContact CD2-CG 4.05Å; L1410-M1660 HydrophobicContact CD1-SD 4.41Å; L1410-M1660 HydrophobicContact CD2-CE 3.43Å; L1410-M1660 VanDerWaalsContact CD2-CE 3.43Å; L1410-M1660 HydrophobicContact CD2-SD 4.14Å; L1410-M1660 HydrophobicContact CG-CE 3.9Å; L1410-M1660 HydrophobicContact CG-SD 3.89Å; N1411-M1660 PolarHBondContact OD1-SD 2.91Å; W1414-M1660 HydrophobicContact CD2-CB 4.42Å; W1414-M1660 HydrophobicContact CZ2-CB 4.37Å; W1414-M1660 PolarHBondContact NE1-O 2.89Å; L1656-M1660 HydrophobicContact CD1-CE 3.78Å; L1656-M1660 HydrophobicContact CD1-CG 4.44Å; L1656-M1660 WeakPolarHBondContact O-CB 3.49Å; L1656-M1660 WeakPolarHBondContact O-CG 3.19Å; L1656-M1660 PolarHBondContact O-N 2.78Å; L1657-M1660 PolarHBondContact O-N 2.81Å; S1658-M1660 VanDerWaalsContact C-N 3.29Å; S1658-M1660 PolarHBondContact O-N 3.22Å |
| 1661 | L | 89.1 | Confident | 67.1 | Low | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -77.5 | -39.3 | 175.7 | -75.9 | 163.1 | 0 | 0 | 0 | 112.2 | W1414 E1639 L1642 L1657 S1658 | W1414-L1661 HydrophobicContact CH2-CD2 4.08Å; W1414-L1661 HydrophobicContact CH2-CG 4.41Å; W1414-L1661 HydrophobicContact CZ2-CD2 3.81Å; W1414-L1661 HydrophobicContact CZ2-CG 4.09Å; E1639-L1661 HydrophobicContact CB-CD2 4.44Å; E1639-L1661 HydrophobicContact CG-CD2 4.46Å; L1642-L1661 HydrophobicContact CB-CD1 3.86Å; L1642-L1661 HydrophobicContact CB-CD2 3.88Å; L1657-L1661 HydrophobicContact CD1-CD1 4.19Å; L1657-L1661 HydrophobicContact CD1-CG 4.43Å; L1657-L1661 HydrophobicContact CG-CD1 3.96Å; L1657-L1661 WeakPolarHBondContact O-CB 3.48Å; L1657-L1661 WeakPolarHBondContact O-CD1 3.37Å; L1657-L1661 VanDerWaalsContact O-CG 3.27Å; L1657-L1661 WeakPolarHBondContact O-CG 3.35Å; L1657-L1661 PolarHBondContact O-N 3.5Å; S1658-L1661 PolarHBondContact O-N 3.45Å |
| 1662 | L | 85.3 | Confident | 64.6 | Low | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -82 | -44.3 | -173.5 | -66.8 | 174.6 | 0 | 0 | 0 | 113.2 | L1643 Y1646 S1658 K1664 R1665 S1666 | L1643-L1662 HydrophobicContact CD1-CD2 4.18Å; Y1646-L1662 HydrophobicContact CD1-CD2 4.31Å; Y1646-L1662 HydrophobicContact CE1-CD1 4.14Å; Y1646-L1662 HydrophobicContact CE1-CD2 3.97Å; Y1646-L1662 HydrophobicContact CE1-CG 4.44Å; Y1646-L1662 HydrophobicContact CE2-CD1 4.41Å; S1658-L1662 WeakPolarHBondContact O-CB 3.36Å; S1658-L1662 VanDerWaalsContact O-CG 3.28Å; S1658-L1662 WeakPolarHBondContact O-CG 3.26Å; S1658-L1662 PolarHBondContact O-N 3.22Å; L1662-K1664 PolarHBondContact O-N 3.35Å; L1662-K1664 VanDerWaalsContact O-N 3.09Å; L1662-R1665 PolarHBondContact O-N 3.42Å; L1662-S1666 PolarHBondContact O-N 3.39Å |
| 1663 | T | 78.6 | Confident | 62.3 | Low | 46 Ų | 46 | 69.7 Ų | 69.7 | 28% | 0.282 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.7 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | N1411 E1659 S1666 | N1411-T1663 PolarHBondContact ND2-OG1 2.92Å; E1659-T1663 WeakPolarHBondContact O-CB 3.43Å; E1659-T1663 VanDerWaalsContact O-CG2 3.23Å; E1659-T1663 WeakPolarHBondContact O-CG2 3.37Å; E1659-T1663 PolarHBondContact O-N 3.15Å; E1659-T1663 VanDerWaalsContact O-N 3.15Å; E1659-T1663 PolarHBondContact O-OG1 2.65Å; T1663-S1666 PolarHBondContact O-OG 2.98Å |
| 1664 | K | 65.8 | Low | 60.5 | Low | 46 Ų | 46 | 70.2 Ų | 70.2 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.6 | -179.2 | -152.4 | 169.9 | -171.4 | 149.2 | 0 | 113.7 | N1411 S1412 S1415 E1639 L1662 | N1411-K1664 WeakPolarHBondContact O-CD 3.09Å; N1411-K1664 WeakPolarHBondContact O-CE 3.43Å; N1411-K1664 PolarHBondContact O-NZ 3.25Å; S1412-K1664 VanDerWaalsContact O-CE 3.32Å; S1412-K1664 WeakPolarHBondContact O-CE 3.26Å; S1412-K1664 PolarHBondContact O-NZ 2.91Å; S1415-K1664 PolarHBondContact OG-NZ 3.05Å; E1639-K1664 WeakPolarHBondContact OE1-CE 3.15Å; E1639-K1664 IonicContact OE1-NZ 2.86Å; E1639-K1664 PolarHBondContact OE1-NZ 3.23Å; E1639-K1664 WeakPolarHBondContact OE2-CD 3.43Å; E1639-K1664 IonicContact OE2-NZ 2.59Å; L1662-K1664 PolarHBondContact O-N 3.35Å; L1662-K1664 VanDerWaalsContact O-N 3.09Å |
| 1665 | R | 61.4 | Low | 58.3 | Low | 74 Ų | 74 | 69.1 Ų | 69.1 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -8.9 | -176 | -60.3 | -169.8 | -169.1 | -157.2 | -3.4 | 114.2 | E1639 N1640 L1662 R1667 V1668 | E1639-R1665 IonicContact OE2-NH2 3.98Å; N1640-R1665 VanDerWaalsContact OD1-CZ 3.26Å; N1640-R1665 PolarHBondContact OD1-NH1 3.49Å; N1640-R1665 PolarHBondContact OD1-NH2 2.65Å; L1662-R1665 PolarHBondContact O-N 3.42Å; R1665-R1667 PolarHBondContact O-N 3.42Å; R1665-R1667 VanDerWaalsContact O-N 3.17Å; R1665-V1668 PolarHBondContact O-N 2.96Å |
| 1666 | S | 46.9 | Very low | 55.4 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -3.7 | 170.5 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | L1662 T1663 | L1662-S1666 PolarHBondContact O-N 3.39Å; T1663-S1666 PolarHBondContact O-OG 2.98Å |
| 1667 | R | 39.5 | Very low | 52.5 | Low | 105 Ų | 105 | 83.7 Ų | 83.7 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -19.3 | 174.2 | -66.6 | -172 | 176.6 | -157.8 | -7.3 | 113.8 | E1404 Q1408 D1563 R1665 | E1404-R1667 IonicContact OE1-NH2 3.87Å; Q1408-R1667 VanDerWaalsContact CD-NH1 3.3Å; D1563-R1667 PolarHBondContact O-NH1 3.03Å; R1665-R1667 PolarHBondContact O-N 3.42Å; R1665-R1667 VanDerWaalsContact O-N 3.17Å |
| 1668 | V | 32.1 | Very low | 49.5 | Very low | 96 Ų | 96 | 90 Ų | 90 | 58% | 0.582 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -77.7 | 122.3 | 165.9 | -178.6 | 0 | 0 | 0 | 0 | 107 | R1665 L1670 | R1665-V1668 PolarHBondContact O-N 2.96Å; V1668-L1670 PolarHBondContact O-N 3.24Å |
| 1669 | S | 23.8 | Very low | 46.8 | Very low | 120 Ų | 120 | 95.8 Ų | 95.8 | 84% | 0.839 | 53% | 0.532 | S | S | * | . | trans | -63 | 100.9 | -169.1 | 29 | 0 | 0 | 0 | 0 | 113 | ||||
| 1670 | L | 26.1 | Very low | 43.9 | Very low | 145 Ų | 145 | 102.3 Ų | 102.3 | 76% | 0.759 | 57% | 0.565 | S | S | * | * | trans | -105.5 | 132.5 | 165 | -83.6 | 161.4 | 0 | 0 | 0 | 108.9 | V1668 | V1668-L1670 PolarHBondContact O-N 3.24Š| ||
| 1671 | P | 26.3 | Very low | 40.9 | Very low | 114 Ų | 114 | 108.1 Ų | 108.1 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | trans | -71.6 | 132.6 | -178.1 | 28.7 | -33.9 | 0 | 0 | 0 | 112 | ||||
| 1672 | V | 30.1 | Very low | 38.1 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | trans | 40.7 | 116.5 | 146 | -171.7 | 0 | 0 | 0 | 0 | 118.4 | F565 T566 | F565-V1672 HydrophobicContact CE1-CG1 3.92Å; T566-V1672 HydrophobicContact CG2-CG2 4.23Å | ||
| 1673 | Q | 27.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -67 | 145.5 | 166.9 | -68.6 | -171.1 | -22 | 0 | 0 | 112.9 | ||
| 1674 | P | 29.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.2 | 144.6 | 32.7 | -29.4 | 0 | 0 | 0 | 109.8 | ||
| 1675 | S | 30.2 | Very low | 31.2 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -81.8 | 157.1 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1676 | Y | 25.9 | Very low | 29.6 | Very low | 213 Ų | 213 | 129 Ų | 129 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.5 | 176.8 | -83.6 | -106.8 | 0 | 0 | 0 | 113.2 | ||
| 1677 | C | 27.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | -128 | 125.9 | 148.1 | -84.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1678 | N | 27.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -77.1 | 163.3 | 169.3 | -62.9 | -17.5 | 0 | 0 | 0 | 109.9 | ||||
| 1679 | P | 33.4 | Very low | 28.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | -108.1 | 143.9 | 127.3 | -12.6 | 30.2 | 0 | 0 | 0 | 111.8 | |||||
| 1680 | M | 25.7 | Very low | 28.7 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 93% | 0.931 | 76% | 0.755 | S | S | * | * | trans | -91 | 168.1 | 160.1 | -106.9 | -176.9 | 163.4 | 0 | 0 | 110.2 | ||||
| 1681 | T | 27.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -114.7 | 128.6 | -159.7 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1682 | S | 29.8 | Very low | 28.8 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -162.8 | 100.8 | 155.6 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1683 | S | 26.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 81.5 | 99.2 | 74.9 | -73.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1684 | M | 28.4 | Very low | 28.5 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -157.3 | 124.4 | 144.1 | -99 | -58.3 | 176.2 | 0 | 0 | 111.8 | ||||
| 1685 | K | 30.4 | Very low | 28.3 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 32 | 106.3 | 149.5 | -68.3 | 174.6 | -178.3 | 172.2 | 0 | 123.3 | ||||
| 1686 | S | 26.7 | Very low | 28.1 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 66.8 | 150.3 | 127.9 | 49.9 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1687 | P | 40 | Very low | 28.3 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -107.3 | -173.8 | -173.5 | 44.6 | -36.6 | 0 | 0 | 0 | 114.1 | ||||
| 1688 | P | 32.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | -147.5 | 169.2 | 95.9 | 41.9 | -27.1 | 0 | 0 | 0 | 116.8 | |||||
| 1689 | S | 23.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 30.9 | 139.7 | 146.1 | 61.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1690 | T | 27.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | cis | 178.7 | 165.9 | -0.2 | 28.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1691 | T | 28.6 | Very low | 27.9 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | cis | -166.8 | 156.2 | 1.2 | 12.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1692 | S | 25.9 | Very low | 27.8 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | 69.3 | 142.3 | 162.8 | -140.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1693 | S | 28.8 | Very low | 27.5 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | cis | -160.2 | 172.3 | -3.2 | 12.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1694 | Y | 23.1 | Very low | 27.5 | Very low | 209 Ų | 209 | 126.3 Ų | 126.3 | 82% | 0.82 | 71% | 0.71 | S | S | * | * | trans | -34.2 | 159.1 | 166.7 | -68.9 | -98.9 | 0 | 0 | 0 | 116 | ||||
| 1695 | V | 25.8 | Very low | 27.4 | Very low | 83 Ų | 83 | 125 Ų | 125 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | cis | -150.4 | 173 | 49.3 | -166.3 | 0 | 0 | 0 | 0 | 114.1 | N1361 A1363 | N1361-V1695 HydrophobicContact CB-CB 4.47Å; A1363-V1695 HydrophobicContact CB-CG1 3.94Å | ||
| 1696 | I | 25.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 122 Ų | 122 | 46% | 0.456 | 70% | 0.703 | S | S | . | * | trans | -88.6 | 143.9 | -178.9 | -69.6 | 153.8 | 0 | 0 | 0 | 110.8 | N1361 A1363 | N1361-I1696 PolarHBondContact OD1-O 3.33Å; A1363-I1696 HydrophobicContact CB-CB 4.04Å; A1363-I1696 HydrophobicContact CB-CD1 4.16Å; A1363-I1696 HydrophobicContact CB-CG2 4.3Å | ||
| 1697 | P | 31.3 | Very low | 27.3 | Very low | 61 Ų | 61 | 123.9 Ų | 123.9 | 40% | 0.396 | 70% | 0.704 | S | S | . | * | -161.8 | 159.5 | 86.1 | 43.7 | -21.5 | 0 | 0 | 0 | 122.6 | |||||
| 1698 | T | 26 | Very low | 26.6 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | 43 | 147.2 | 144.1 | 56.3 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1699 | C | 23.9 | Very low | 26.4 | Very low | 118 Ų | 118 | 126 Ų | 126 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | -77 | 174.2 | 170.8 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1700 | Q | 26.6 | Very low | 26.7 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | cis | -163.7 | 166.2 | 39 | -161.5 | 168.9 | -82.8 | 0 | 0 | 116 | ||||
| 1701 | F | 27.6 | Very low | 26.6 | Very low | 170 Ų | 170 | 128 Ų | 128 | 75% | 0.746 | 70% | 0.702 | S | S | * | * | trans | -56.4 | 156.3 | -176.7 | -81.8 | -94.6 | 0 | 0 | 0 | 119.6 | Y1703 | F1701-Y1703 AromaticContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CE2 4.12Å; F1701-Y1703 AromaticContact CE1-CD2 3.97Å; F1701-Y1703 HydrophobicContact CE1-CD2 3.97Å; F1701-Y1703 AromaticContact CE1-CE2 3.83Å; F1701-Y1703 HydrophobicContact CE1-CE2 3.83Å | ||
| 1702 | A | 25.4 | Very low | 26.6 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | trans | -133.2 | 159.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1703 | Y | 24.5 | Very low | 26.5 | Very low | 201 Ų | 201 | 128.2 Ų | 128.2 | 79% | 0.788 | 70% | 0.7 | S | S | * | * | trans | -152 | 133.3 | -167.6 | -132.6 | -67.9 | 0 | 0 | 0 | 111.5 | F1701 | F1701-Y1703 AromaticContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CE2 4.12Å; F1701-Y1703 AromaticContact CE1-CD2 3.97Å; F1701-Y1703 HydrophobicContact CE1-CD2 3.97Å; F1701-Y1703 AromaticContact CE1-CE2 3.83Å; F1701-Y1703 HydrophobicContact CE1-CE2 3.83Å | ||
| 1704 | T | 26.8 | Very low | 26.6 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | 174.2 | 154.9 | 161.9 | 38.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1705 | N | 26.4 | Very low | 26.8 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | cis | -158.6 | 126.8 | -21.2 | -107.5 | -11.6 | 0 | 0 | 0 | 106.9 | ||||
| 1706 | V | 26.1 | Very low | 26.8 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | 64.6 | 106.9 | 95 | 178.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1707 | N | 27.5 | Very low | 26.8 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | 162.7 | 152.1 | 134.5 | -87.5 | -40.4 | 0 | 0 | 0 | 111.9 | ||||
| 1708 | S | 26.2 | Very low | 26.7 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -177.2 | 165.7 | -30.6 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1709 | K | 27.6 | Very low | 26.6 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | trans | 68.8 | 151.3 | 164.6 | -92 | 171.8 | 179.7 | 173.4 | 0 | 116.9 | ||||
| 1710 | V | 29.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | cis | -139.4 | 137.2 | 6.3 | -161.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1711 | I | 24.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | 56.6 | 142.2 | 70 | -72.6 | 160.6 | 0 | 0 | 0 | 112.3 | |||||
| 1712 | P | 29.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | cis | -131.7 | 174.8 | 18.3 | 27.7 | -2.9 | 0 | 0 | 0 | 119.5 | ||||
| 1713 | T | 24 | Very low | 26.7 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -48.6 | 154.6 | 170.3 | 53.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1714 | S | 30.3 | Very low | 26.8 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | 176.9 | 161.7 | 126.6 | 34.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1715 | S | 26.9 | Very low | 26.8 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | -178.1 | 135.2 | -51.7 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1716 | L | 25.6 | Very low | 26.8 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | trans | 65.5 | 159.6 | 165.9 | -93.7 | 63.3 | 0 | 0 | 0 | 116.1 | ||||
| 1717 | S | 25.1 | Very low | 26.8 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | cis | -159.9 | 178.3 | -6.6 | 54 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1718 | T | 31.1 | Very low | 26.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | trans | 71.3 | 123.6 | 147.9 | 39.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1719 | D | 22.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | trans | -85.5 | -156.5 | 169.6 | -46.8 | -86.3 | 0 | 0 | 0 | 111.9 | ||||
| 1720 | A | 29.6 | Very low | 26.5 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | trans | 83.1 | 90.4 | -178 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1721 | D | 27.1 | Very low | 26.6 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 57% | 0.567 | 72% | 0.724 | S | S | * | * | 64.8 | 109.2 | 127.6 | -78.8 | -78.1 | 0 | 0 | 0 | 124.6 | S556 | S556-D1721 PolarHBondContact OG-OD2 3.44Š| |||
| 1722 | C | 24.3 | Very low | 26.8 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | 67.2 | 119.5 | 114.7 | -77.2 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1723 | R | 24.8 | Very low | 27 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 101.1 | 120.9 | 137 | -75.2 | -179 | 179.1 | -169.5 | 1.3 | 120.8 | ||||
| 1724 | L | 26.1 | Very low | 27.3 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | trans | 78.6 | 119.3 | 145.5 | -67.2 | 166.4 | 0 | 0 | 0 | 119 | ||||
| 1725 | S | 26.6 | Very low | 27.4 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -58.7 | 143.6 | 162.9 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1726 | D | 27.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -151.4 | 143.5 | 133.3 | -137.9 | -12.8 | 0 | 0 | 0 | 109.5 | ||||
| 1727 | E | 25.5 | Very low | 27.8 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | -71.5 | 160 | 164.4 | -74.8 | -162.8 | 108.8 | 0 | 0 | 109.5 | ||||
| 1728 | V | 26.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | 169.4 | 99.9 | 119.8 | 155.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1729 | I | 24.8 | Very low | 27.7 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 61% | 0.605 | 68% | 0.678 | S | S | * | * | 57.2 | 137.4 | 122.1 | -63.7 | 169 | 0 | 0 | 0 | 119.1 | |||||
| 1730 | K | 25.9 | Very low | 28.1 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 73% | 0.726 | 68% | 0.677 | S | S | * | * | trans | 78.5 | 150.1 | 166 | -73 | 157.2 | -169.9 | 167.5 | 0 | 116.4 | ||||
| 1731 | H | 31.2 | Very low | 28.2 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | cis | -153.2 | 146.3 | 2.3 | -120.9 | -44.5 | 0 | 0 | 0 | 110.7 | ||||
| 1732 | T | 28.5 | Very low | 28.5 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | 63.2 | 147.9 | 151.2 | 53.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1733 | N | 33.8 | Very low | 29.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | cis | -149.9 | 146.1 | 5.3 | -109.8 | -13.3 | 0 | 0 | 0 | 109.1 | ||||
| 1734 | Q | 30.8 | Very low | 30 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | 53.7 | 139.9 | 102 | -54.8 | 176.9 | 1.9 | 0 | 0 | 115.7 | |||||
| 1735 | A | 31.7 | Very low | 30.4 | Very low | 81 Ų | 81 | 123 Ų | 123 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | cis | -156.9 | 148.7 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1736 | S | 30 | Very low | 30.7 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | 74.8 | 164.9 | 83.4 | 95.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1737 | S | 31.9 | Very low | 31 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 46% | 0.462 | 69% | 0.689 | S | S | . | * | cis | -117.7 | -132.5 | 9.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | T849 S850 | T849-S1737 VanDerWaalsContact CB-C 3.4Å; T849-S1737 WeakPolarHBondContact CB-O 3.07Å; T849-S1737 PolarHBondContact OG1-OG 2.9Å; S850-S1737 VanDerWaalsContact CA-O 3.26Å; S850-S1737 WeakPolarHBondContact CA-O 3.06Å; S850-S1737 WeakPolarHBondContact CB-O 3.26Å | ||
| 1738 | L | 27.1 | Very low | 31.3 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | cis | 153.7 | 54.7 | -3.2 | -61.1 | 112.9 | 0 | 0 | 0 | 117.5 | S848 T849 | S848-L1738 CarbonylContact O-C 3.17Å; T849-L1738 VanDerWaalsContact CB-N 3.3Å; T849-L1738 WeakPolarHBondContact OG1-CA 3.46Å; T849-L1738 PolarHBondContact OG1-N 3.37Å | ||
| 1739 | C | 26.2 | Very low | 31.4 | Very low | 60 Ų | 60 | 119.4 Ų | 119.4 | 41% | 0.405 | 69% | 0.692 | S | S | . | * | trans | -80 | 144.1 | -166.5 | -106.4 | 0 | 0 | 0 | 0 | 122.2 | S848 T849 S850 | S848-C1739 WeakPolarHBondContact O-CA 3.4Å; S848-C1739 PolarHBondContact O-N 3.02Å; T849-C1739 WeakPolarHBondContact CA-SG 2.84Å; T849-C1739 PolarHBondContact N-SG 3.41Å; T849-C1739 VanDerWaalsContact N-SG 3.44Å; S850-C1739 PolarHBondContact N-SG 2.75Å | ||
| 1740 | T | 30.9 | Very low | 31.6 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 56% | 0.564 | 70% | 0.702 | S | S | * | * | trans | -166.9 | 168.7 | 165.3 | 41.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1741 | N | 30.9 | Very low | 31.9 | Very low | 144 Ų | 144 | 121 Ų | 121 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | 178 | 120.5 | -55.6 | -96.4 | -17 | 0 | 0 | 0 | 116.2 | |||||
| 1742 | N | 34.4 | Very low | 31.8 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | 52.6 | -171.4 | 143 | -121.6 | -5.9 | 0 | 0 | 0 | 121 | ||||
| 1743 | P | 44.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 60% | 0.597 | 72% | 0.717 | S | S | * | * | cis | -142 | -171 | -5.1 | 44 | -23.8 | 0 | 0 | 0 | 119.3 | ||||
| 1744 | N | 35.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 82 | 154.3 | 150.9 | -68.4 | -11.6 | 0 | 0 | 0 | 123.3 | ||||
| 1745 | S | 34.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | cis | 179.7 | 141.6 | -27.7 | 59.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1746 | G | 33.1 | Very low | 31.6 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | 90.6 | 163 | 143 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1747 | T | 34.4 | Very low | 31.4 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | cis | -170.7 | 162.1 | -13.5 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1748 | T | 31.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 104.4 | 154.1 | 145.7 | -30.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1749 | M | 27.9 | Very low | 31.6 | Very low | 165 Ų | 165 | 125 Ų | 125 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 179.7 | 168.5 | -65 | -109.4 | -79.7 | -167 | 0 | 0 | 114.9 | |||||
| 1750 | M | 29.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | trans | 80.5 | 161.8 | 164.2 | -36.9 | -164.1 | -157.7 | 0 | 0 | 119.8 | ||||
| 1751 | I | 33.1 | Very low | 31.8 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -140.2 | 161.1 | 14.1 | -56.9 | 168.9 | 0 | 0 | 0 | 112.8 | ||||
| 1752 | N | 27.8 | Very low | 31.9 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -61 | 177.8 | 175.1 | -47.4 | -37 | 0 | 0 | 0 | 116.1 | ||||
| 1753 | T | 32.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | -164.2 | 179.5 | 65.7 | 47.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1754 | T | 28.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -97.4 | 158.1 | -168.1 | 52.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1755 | G | 31.9 | Very low | 30.4 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -165.5 | 157.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1756 | S | 27.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -156.4 | 171.7 | -170.1 | 64 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1757 | L | 27 | Very low | 30.2 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 85.5 | 135.8 | 170.8 | -93.1 | 73.6 | 0 | 0 | 0 | 119.6 | ||||
| 1758 | S | 26.9 | Very low | 29.8 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -32.2 | 136.1 | 168.1 | 52.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1759 | T | 35.3 | Very low | 30 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | -169.1 | 150.5 | 116.7 | 15 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1760 | T | 32.4 | Very low | 29.8 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -70.8 | 137.8 | 169.3 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1761 | P | 30.5 | Very low | 29.5 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | -133.9 | 166.6 | 95.7 | 13.9 | 7.6 | 0 | 0 | 0 | 114.2 | |||||
| 1762 | F | 31.3 | Very low | 29.2 | Very low | 199 Ų | 199 | 129.2 Ų | 129.2 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 11.7 | 118.8 | 147 | -60.2 | -110 | 0 | 0 | 0 | 116.2 | ||
| 1763 | T | 30.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | cis | -137.9 | 116.3 | 34.9 | 51.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1764 | S | 26.1 | Very low | 29.1 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -69.6 | 157.3 | 146 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1765 | P | 27.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | -133.3 | 154.4 | 72.8 | 16.3 | 6.4 | 0 | 0 | 0 | 114 | |||||
| 1766 | I | 27.2 | Very low | 29.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | cis | 55.9 | 122.2 | -1.5 | -48.1 | 175.8 | 0 | 0 | 0 | 114.8 | ||||
| 1767 | P | 36.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | cis | -114.9 | -145.3 | 24.3 | 20.1 | 6.1 | 0 | 0 | 0 | 110.3 | ||||
| 1768 | S | 26.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | cis | -158 | 160.2 | 12.6 | -37.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1769 | T | 34.7 | Very low | 29.7 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | trans | -102.2 | 153.8 | 162 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1770 | F | 23.7 | Very low | 29.7 | Very low | 199 Ų | 199 | 121.1 Ų | 121.1 | 87% | 0.873 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 63.8 | 152.1 | 170.9 | -80.8 | -88.1 | 0 | 0 | 0 | 117.9 | ||
| 1771 | S | 23.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | trans | 30.9 | 119.3 | 155.2 | -58.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1772 | L | 26.1 | Very low | 29.8 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | 67.7 | 123.9 | 134.2 | -64.2 | 169.1 | 0 | 0 | 0 | 120.9 | ||||
| 1773 | T | 28.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | 66.5 | 149.3 | 147 | 60.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1774 | S | 30.3 | Very low | 29.6 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 51% | 0.51 | 67% | 0.67 | S | S | . | * | cis | -171.8 | 141 | -19.9 | -95.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1775 | L | 28.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | trans | 60.7 | 168.4 | 152.7 | -60.3 | 164 | 0 | 0 | 0 | 117.4 | I1781 | L1775-I1781 HydrophobicContact CD2-CD1 4.36Å; L1775-I1781 HydrophobicContact CD2-CG1 4.02Å | ||
| 1776 | H | 33 | Very low | 29.8 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | cis | -134.2 | 131.8 | -5.2 | -119.4 | -90.8 | 0 | 0 | 0 | 105.5 | ||||
| 1777 | L | 29.6 | Very low | 29.7 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 38% | 0.377 | 68% | 0.684 | S | S | . | * | 70.8 | 162.9 | 85.9 | -110.4 | 72.2 | 0 | 0 | 0 | 115.4 | T1779 I1781 | L1777-T1779 HydrophobicContact CD2-CG2 3.88Å; L1777-T1779 HydrophobicContact CG-CG2 4.5Å; L1777-I1781 HydrophobicContact CD1-CB 4.44Å; L1777-I1781 HydrophobicContact CD1-CD1 4.47Å; L1777-I1781 HydrophobicContact CD1-CG1 3.87Å; L1777-I1781 HydrophobicContact CD2-CB 4.38Å; L1777-I1781 HydrophobicContact CD2-CD1 3.52Å; L1777-I1781 HydrophobicContact CD2-CG1 3.79Å; L1777-I1781 HydrophobicContact CG-CG1 4.49Å | |||
| 1778 | P | 30.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | S | Bend | cis | -91.4 | 160.5 | 19.1 | 37.3 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 1779 | T | 32.4 | Very low | 29.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 71% | 0.712 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -163.5 | 125 | -16.3 | 23.8 | 0 | 0 | 0 | 0 | 104.1 | L1777 | L1777-T1779 HydrophobicContact CD2-CG2 3.88Å; L1777-T1779 HydrophobicContact CG-CG2 4.5Å |
| 1780 | S | 36.8 | Very low | 28.8 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | cis | -145.8 | 136.7 | 14.9 | -70.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1781 | I | 34.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 124 Ų | 124 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | 73 | 128.2 | 84.2 | -98.2 | 172.3 | 0 | 0 | 0 | 112.7 | L1775 L1777 | L1775-I1781 HydrophobicContact CD2-CD1 4.36Å; L1775-I1781 HydrophobicContact CD2-CG1 4.02Å; L1777-I1781 HydrophobicContact CD1-CB 4.44Å; L1777-I1781 HydrophobicContact CD1-CD1 4.47Å; L1777-I1781 HydrophobicContact CD1-CG1 3.87Å; L1777-I1781 HydrophobicContact CD2-CB 4.38Å; L1777-I1781 HydrophobicContact CD2-CD1 3.52Å; L1777-I1781 HydrophobicContact CD2-CG1 3.79Å; L1777-I1781 HydrophobicContact CG-CG1 4.49Å | |||
| 1782 | P | 28.9 | Very low | 29 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | -146.9 | -166.7 | -79.1 | 38.3 | -17.7 | 0 | 0 | 0 | 115.9 | |||||
| 1783 | H | 32.3 | Very low | 29 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 59% | 0.593 | 68% | 0.681 | S | S | * | * | trans | 82.3 | 129.4 | 141.6 | -99 | -75.8 | 0 | 0 | 0 | 121.7 | ||||
| 1784 | L | 26.2 | Very low | 28.9 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | trans | -74.2 | 156.1 | 164.3 | -52.8 | 72.6 | 0 | 0 | 0 | 110.8 | ||||
| 1785 | N | 28.6 | Very low | 28.7 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | -155 | 168.8 | 119.2 | -128.4 | -25.8 | 0 | 0 | 0 | 115.7 | |||||
| 1786 | N | 28.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | -85.2 | 150.7 | -171.5 | -167.4 | -8.4 | 0 | 0 | 0 | 113.1 | ||||
| 1787 | R | 25.6 | Very low | 28.4 | Very low | 221 Ų | 221 | 125.2 Ų | 125.2 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 72.1 | 139.7 | 174.7 | -56.5 | 178.8 | 172.6 | 169.5 | -4.6 | 118 | ||
| 1788 | N | 24.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 64.4 | 129.4 | 169.1 | -61.1 | -3.1 | 0 | 0 | 0 | 118.1 | ||
| 1789 | N | 26.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | 58 | 146.7 | 148.7 | -58.3 | -2.7 | 0 | 0 | 0 | 121.1 | ||||
| 1790 | N | 27.3 | Very low | 28 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 73.5 | 132.8 | 172.5 | -49.5 | -23 | 0 | 0 | 0 | 114.5 | ||||
| 1791 | C | 24.3 | Very low | 27.8 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | cis | 102 | 129.4 | 22 | -68 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1792 | S | 26.1 | Very low | 27.4 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 70.4 | 159.8 | 159.8 | -57 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1793 | N | 26.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | cis | -171.7 | 147.3 | -30.5 | -98.7 | -11.3 | 0 | 0 | 0 | 108.4 | ||||
| 1794 | N | 26.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 53.8 | 173.3 | 149.6 | -53.8 | -6 | 0 | 0 | 0 | 118.9 | ||||
| 1795 | D | 25.4 | Very low | 27.2 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | cis | -106.5 | -169.7 | -12.1 | -55.2 | -72.5 | 0 | 0 | 0 | 109.2 | ||||
| 1796 | A | 28.6 | Very low | 27 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | cis | -162.4 | 164.5 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1797 | S | 26.9 | Very low | 26.8 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -172.2 | 146.4 | -24.9 | 57.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1798 | L | 27.3 | Very low | 26.7 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | 65.9 | 153.3 | 167.4 | -49.7 | 159.8 | 0 | 0 | 0 | 114.9 | ||||
| 1799 | L | 28.2 | Very low | 26.7 | Very low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | cis | -150 | 141.3 | 2.2 | -162.7 | 72.6 | 0 | 0 | 0 | 110.5 | ||||
| 1800 | K | 28.5 | Very low | 26.7 | Very low | 174 Ų | 174 | 124 Ų | 124 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 21.7 | 119.3 | 154.4 | -60.1 | 172.5 | -178.7 | -177.7 | 0 | 119.6 | ||||
| 1801 | N | 32.2 | Very low | 26.5 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | -165.3 | 165.4 | 95.3 | -98.2 | -13.5 | 0 | 0 | 0 | 111.3 | |||||
| 1802 | I | 25.8 | Very low | 26.5 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | trans | -126.9 | 129.8 | -172 | -59.6 | 167 | 0 | 0 | 0 | 107.9 | ||||
| 1803 | D | 24.5 | Very low | 26.5 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | 173.6 | 117.6 | 131.7 | -94.3 | -25.8 | 0 | 0 | 0 | 110.9 | ||||
| 1804 | S | 31.4 | Very low | 26.3 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -159.3 | 128.2 | 162.3 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1805 | Q | 28.3 | Very low | 26.2 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -72.7 | 171.6 | 169.4 | -56 | -179.7 | -22.6 | 0 | 0 | 109.3 | ||||
| 1806 | L | 24.9 | Very low | 26.1 | Very low | 89 Ų | 89 | 129 Ų | 129 | 47% | 0.466 | 72% | 0.715 | S | S | . | * | cis | -164 | 168.8 | 28.2 | -162.3 | 50 | 0 | 0 | 0 | 109.2 | V596 | V596-L1806 VanDerWaalsContact C-CD1 3.42Å; V596-L1806 WeakPolarHBondContact O-CD1 3.45Å; V596-L1806 WeakPolarHBondContact O-CG 3.4Å | ||
| 1807 | S | 22.5 | Very low | 26.1 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | trans | 81.6 | 151.7 | -178.1 | -156.8 | 0 | 0 | 0 | 0 | 119.1 | V596 | V596-S1807 WeakPolarHBondContact O-CA 3.48Å; V596-S1807 PolarHBondContact O-N 2.68Å | ||
| 1808 | C | 23.3 | Very low | 25.9 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 49% | 0.486 | 72% | 0.722 | S | S | . | * | trans | -92.5 | -178.8 | -165.8 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | Q1357 | Q1357-C1808 PolarHBondContact NE2-O 2.98Š| ||
| 1809 | T | 25.3 | Very low | 26.3 | Very low | 84 Ų | 84 | 130 Ų | 130 | 52% | 0.515 | 72% | 0.715 | S | S | . | * | cis | -147.9 | 157.3 | 26.3 | 47.8 | 0 | 0 | 0 | 0 | 115.4 | E1360 | E1360-T1809 WeakPolarHBondContact OE1-CG2 3.41Å; E1360-T1809 PolarHBondContact OE1-OG1 2.77Å | ||
| 1810 | A | 26.8 | Very low | 26.1 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 72% | 0.724 | S | S | * | * | trans | 85.6 | 156 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1811 | F | 24 | Very low | 25.8 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | trans | 69.4 | 134.9 | 175.9 | -69.4 | -111.1 | 0 | 0 | 0 | 115.1 | ||||
| 1812 | L | 24.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | cis | -154.4 | 173.4 | 14.4 | -121.1 | 163.7 | 0 | 0 | 0 | 115.3 | ||||
| 1813 | N | 24.9 | Very low | 25.8 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -49.6 | 168.2 | 162.2 | -52.6 | -41.5 | 0 | 0 | 0 | 112.8 | ||||
| 1814 | S | 24 | Very low | 25.8 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | cis | -164.4 | 162 | 31.7 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1815 | Y | 23.3 | Very low | 25.5 | Very low | 211 Ų | 211 | 125.5 Ų | 125.5 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | 5.1 | 130.5 | 143.7 | -60.3 | -92.9 | 0 | 0 | 0 | 117.1 | ||||
| 1816 | T | 23.2 | Very low | 25.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | cis | -159.4 | 164.6 | 49 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1817 | N | 28.1 | Very low | 25.2 | Very low | 148 Ų | 148 | 125 Ų | 125 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | cis | -151.6 | 157.1 | 33.7 | -90.9 | -62.4 | 0 | 0 | 0 | 112.5 | ||||
| 1818 | S | 23 | Very low | 25.5 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -106.3 | -165.5 | 153.5 | -33.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1819 | P | 35.7 | Very low | 25.5 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | cis | -126.5 | -173.9 | -34.6 | 37.9 | -23.6 | 0 | 0 | 0 | 111 | ||||
| 1820 | L | 24.6 | Very low | 25.6 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | -163.3 | 142 | 127.7 | -111.2 | 163.2 | 0 | 0 | 0 | 112.7 | |||||
| 1821 | Y | 22.7 | Very low | 25.5 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -71.4 | 163.5 | 163.6 | -87.2 | -126.1 | 0 | 0 | 0 | 109 | ||||
| 1822 | T | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | -162.2 | 163.2 | 57.6 | 42.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1823 | P | 33.5 | Very low | 25.5 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -107.2 | 159.1 | 172.8 | 39.7 | -32.4 | 0 | 0 | 0 | 114.7 | ||||
| 1824 | T | 24.3 | Very low | 25.4 | Very low | 93 Ų | 93 | 136 Ų | 136 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | trans | -156.4 | 174.9 | 152.6 | 5.6 | 0 | 0 | 0 | 0 | 112.5 | E1280 | E1280-T1824 HydrophobicContact CG-CG2 4.39Å; E1280-T1824 WeakPolarHBondContact CG-OG1 3.41Å; E1280-T1824 WeakPolarHBondContact OE1-CB 3.13Å; E1280-T1824 PolarHBondContact OE1-OG1 3.44Å | ||
| 1825 | N | 24.9 | Very low | 25.4 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -98 | 165.1 | -176.6 | -64.9 | -56.4 | 0 | 0 | 0 | 110.9 | ||||
| 1826 | T | 25 | Very low | 25.4 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 59% | 0.589 | 73% | 0.726 | S | S | * | * | -167.1 | 151 | 52.9 | 49.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1827 | N | 23.7 | Very low | 25.5 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | 45.4 | 113.2 | 140.5 | -60.7 | -8.8 | 0 | 0 | 0 | 123.1 | ||||
| 1828 | Q | 26.8 | Very low | 25.4 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | -163.8 | 128.2 | 124 | -101.8 | 173.7 | 2.4 | 0 | 0 | 107.5 | |||||
| 1829 | L | 23.3 | Very low | 25.7 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | 48.9 | 109.4 | 85.6 | -63.2 | 166.5 | 0 | 0 | 0 | 111.1 | Y1831 | L1829-Y1831 HydrophobicContact CD2-CD2 4.01Å; L1829-Y1831 HydrophobicContact CD2-CE2 4.31Å | |||
| 1830 | V | 28.8 | Very low | 25.2 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | -136.5 | 134.7 | 58.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1831 | Y | 24.6 | Very low | 25.4 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | 94.9 | 149 | 53.7 | -123.3 | -90 | 0 | 0 | 0 | 115.6 | L1829 | L1829-Y1831 HydrophobicContact CD2-CD2 4.01Å; L1829-Y1831 HydrophobicContact CD2-CE2 4.31Å | |||
| 1832 | N | 23.3 | Very low | 25.4 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | trans | -60.1 | 160.4 | 179 | -59.2 | -67.1 | 0 | 0 | 0 | 112.6 | ||||
| 1833 | H | 25.5 | Very low | 25.5 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 70% | 0.704 | 70% | 0.702 | S | S | * | * | -165.6 | 153.8 | 76.9 | -115.9 | -86.3 | 0 | 0 | 0 | 116.7 | F1835 | H1833-F1835 AromaticContact CE1-CE2 3.9Å; H1833-F1835 AromaticContact ND1-CD2 3.8Å; H1833-F1835 AromaticContact ND1-CE2 3.87Å | |||
| 1834 | C | 21.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 75% | 0.75 | 71% | 0.705 | S | S | * | * | trans | -99.3 | 145.3 | 151.8 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1835 | F | 23.6 | Very low | 25.1 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | trans | -164.7 | 134.7 | 141.6 | -87.7 | -79.5 | 0 | 0 | 0 | 104.6 | H1833 | H1833-F1835 AromaticContact CE1-CE2 3.9Å; H1833-F1835 AromaticContact ND1-CD2 3.8Å; H1833-F1835 AromaticContact ND1-CE2 3.87Å | ||
| 1836 | I | 24.2 | Very low | 25.1 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | 65.8 | 122.9 | 63.9 | -69.1 | 168.5 | 0 | 0 | 0 | 109.2 | |||||
| 1837 | N | 24.8 | Very low | 25.2 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -161.5 | -170.4 | 20.1 | -144.4 | 40.6 | 0 | 0 | 0 | 114.1 | ||||
| 1838 | N | 25.9 | Very low | 25.2 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | 73.1 | 139.9 | 159.6 | -72.4 | 46.6 | 0 | 0 | 0 | 118.3 | ||||
| 1839 | D | 29.1 | Very low | 25.2 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | cis | -150.8 | 162.6 | -8.3 | -85.2 | -33.5 | 0 | 0 | 0 | 112.1 | ||||
| 1840 | D | 25.8 | Very low | 25.2 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 3 | 154.2 | 156 | -69.4 | -41.4 | 0 | 0 | 0 | 122.9 | ||||
| 1841 | H | 28.2 | Very low | 25 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | cis | -155.3 | 144.1 | 9.2 | -107.5 | -6.6 | 0 | 0 | 0 | 108.5 | ||||
| 1842 | V | 23.5 | Very low | 25 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | 62.7 | 123.6 | 85 | 145.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1843 | I | 24.8 | Very low | 25 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | cis | -161.4 | 168.9 | 17.4 | 27 | 167.1 | 0 | 0 | 0 | 116.1 | ||||
| 1844 | T | 24.8 | Very low | 25.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 74.3 | 106.8 | 147.6 | 40.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1845 | A | 24.7 | Very low | 25.2 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | 68.2 | 132.4 | 109.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1846 | N | 25 | Very low | 25.2 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | 52.3 | 115.9 | 150.6 | -64.3 | 6.6 | 0 | 0 | 0 | 121.4 | ||||
| 1847 | N | 26.7 | Very low | 25.4 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | -169.3 | 172.1 | 101.9 | -102.9 | -33.6 | 0 | 0 | 0 | 114.6 | |||||
| 1848 | I | 24.3 | Very low | 25.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -88.5 | 145.1 | -176.9 | -69.8 | 166.7 | 0 | 0 | 0 | 111.8 | ||||
| 1849 | N | 27 | Very low | 25.4 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 4.7 | 124.6 | 161.5 | -55.9 | -23 | 0 | 0 | 0 | 118.9 | ||||
| 1850 | R | 23.7 | Very low | 25.4 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | -177.6 | 139.2 | 125.2 | -103.8 | -165.8 | 167.8 | 161.8 | -5.2 | 113.2 | |||||
| 1851 | F | 24.3 | Very low | 25.7 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | 57.4 | 128.6 | 155.7 | -71.2 | -117.1 | 0 | 0 | 0 | 117.5 | A574 | A574-F1851 VanDerWaalsContact O-CZ 3.28Å; A574-F1851 WeakPolarHBondContact O-CZ 3.39Å | ||
| 1852 | N | 23.4 | Very low | 25.7 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | cis | 65.9 | 127.6 | 45.6 | -86.5 | 18.8 | 0 | 0 | 0 | 116.7 | ||||
| 1853 | E | 24.4 | Very low | 26 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 93.2 | 161.9 | -60.3 | -167.4 | 148.9 | 0 | 0 | 120.3 | ||||
| 1854 | Q | 27.8 | Very low | 26.3 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | -152.5 | 92.9 | 124.7 | -102.9 | 169.7 | 17.1 | 0 | 0 | 106.3 | |||||
| 1855 | L | 24.1 | Very low | 26.3 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 50.4 | 109.2 | 77.4 | -86.5 | 172.9 | 0 | 0 | 0 | 115.3 | |||||
| 1856 | H | 23.9 | Very low | 26.8 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 48.2 | 102.1 | 138.4 | -101.9 | -103.7 | 0 | 0 | 0 | 119.5 | ||||
| 1857 | E | 27.8 | Very low | 27 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | -175 | 158.9 | 118.9 | -101.6 | -177.1 | 176.2 | 0 | 0 | 110.1 | |||||
| 1858 | S | 26.1 | Very low | 27.2 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | -163.7 | 151.6 | -52.6 | 57 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1859 | L | 24.5 | Very low | 27.5 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 40.6 | 107.2 | 155.9 | -86.8 | 61.1 | 0 | 0 | 0 | 120.8 | ||||
| 1860 | S | 29.3 | Very low | 27.8 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | -172.5 | 143.5 | 120.2 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1861 | T | 31.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | cis | -154.5 | 127 | -10.9 | 10.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1862 | V | 28.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | 70.6 | 91.6 | 99.6 | 167.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1863 | T | 28.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | 97.7 | 159.2 | 111.8 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1864 | T | 32 | Very low | 29.1 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | -156.7 | 144.5 | 9.4 | -9.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1865 | M | 25.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | 55.1 | 148 | 55.1 | -82.3 | -82.5 | 107.9 | 0 | 0 | 113.8 | |||||
| 1866 | P | 34.8 | Very low | 29.6 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | cis | -141.6 | -159.7 | 17.9 | 42.7 | -21.9 | 0 | 0 | 0 | 115.8 | ||||
| 1867 | A | 28.9 | Very low | 29.8 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | trans | 81.9 | 138.5 | 150 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1868 | T | 30.7 | Very low | 29.9 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | cis | -160 | 150.3 | -2 | 5.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1869 | T | 30.7 | Very low | 29.9 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 63.6 | 144.7 | 154.5 | 53 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1870 | T | 33.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | cis | -138.6 | 139.1 | 16.3 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1871 | T | 32.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 18.1 | 142 | 140.9 | 58.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1872 | T | 32.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -167.2 | 139 | 6.5 | 12.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 1873 | L | 26.9 | Very low | 29.8 | Very low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | 62.2 | 133.2 | 51 | -117.9 | 77.4 | 0 | 0 | 0 | 113.3 | |||||
| 1874 | V | 30.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | cis | -147.8 | 146.7 | 11.7 | -144 | 0 | 0 | 0 | 0 | 108 | ||||
| 1875 | N | 31.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | 163.3 | 154.9 | 93.5 | -89.1 | -38 | 0 | 0 | 0 | 108.4 | |||||
| 1876 | H | 30.3 | Very low | 30 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | cis | -169.6 | 121.7 | -34.8 | -141.4 | -71.9 | 0 | 0 | 0 | 108.1 | ||||
| 1877 | T | 29.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 59.3 | 148.7 | 162.7 | 39.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1878 | S | 29.1 | Very low | 29.8 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -139.8 | 165.7 | 12.5 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1879 | I | 26.3 | Very low | 29.7 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -118.2 | 120.1 | -176.9 | -65.5 | 169.6 | 0 | 0 | 0 | 108.8 | ||||
| 1880 | L | 23.3 | Very low | 29.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -171.4 | 88.4 | 160.1 | -118.1 | 173.7 | 0 | 0 | 0 | 111.9 | ||||
| 1881 | S | 30.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | 174.1 | 0 | 155.6 | 59.4 | 0 | 0 | 0 | 0 | 112 | Y606 | Y606-S1881 WeakPolarHBondContact CE1-OXT 3.46Š|
Retrieved 1,881 of 1,881 residues in 263.4 ms
(Link to these results)