| 1 | M | 37.5 | Very low | 34.6 | Very low | 240 Ų | 240 | 179.1 Ų | 179.1 | 100% | 1.182 | 88% | 0.879 | S | S | * | * | | | | 0 | 162.8 | 0 | -89.8 | 174.8 | 161.2 | 0 | 0 | 109.5 | | |
| 2 | S | 34.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 179.8 Ų | 179.8 | 83% | 0.825 | 87% | 0.874 | S | S | * | * | | | trans | -51.7 | 126.1 | -165.3 | -39 | 0 | 0 | 0 | 0 | 116.6 | | |
| 3 | F | 28.7 | Very low | 34.9 | Very low | 207 Ų | 207 | 175.9 Ų | 175.9 | 91% | 0.908 | 87% | 0.871 | S | S | * | * | | | trans | -71.4 | 122.1 | 154.1 | -85.4 | -99.6 | 0 | 0 | 0 | 108.8 | | |
| 4 | N | 37.6 | Very low | 34.9 | Very low | 150 Ų | 150 | 173.4 Ų | 173.4 | 80% | 0.802 | 87% | 0.87 | S | S | * | * | | | trans | -105 | 90.6 | 179.7 | -154.7 | -8.5 | 0 | 0 | 0 | 111.8 | N6 | N4-N6 PolarHBondContact O-N 3.13Å; N4-N6 VanDerWaalsContact O-N 3.16Å |
| 5 | K | 33.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 166.2 Ų | 166.2 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | | | trans | -69.4 | 98.1 | 174.4 | -66 | 174.7 | 177.4 | 177.5 | 0 | 110.3 | | |
| 6 | N | 37.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 169.7 Ų | 169.7 | 78% | 0.775 | 86% | 0.858 | S | S | * | * | | | trans | -172 | 65.3 | 160.9 | -102.9 | -38.8 | 0 | 0 | 0 | 115.5 | N4 | N4-N6 PolarHBondContact O-N 3.13Å; N4-N6 VanDerWaalsContact O-N 3.16Å |
| 7 | I | 36.7 | Very low | 34.1 | Very low | 178 Ų | 178 | 172.4 Ų | 172.4 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | | | trans | -132.9 | 77.7 | 164.1 | -50.5 | -179.2 | 0 | 0 | 0 | 110 | | |
| 8 | S | 33 | Very low | 34.2 | Very low | 115 Ų | 115 | 171.2 Ų | 171.2 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | | | trans | -147.8 | 55.6 | 176.6 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 9 | K | 35.1 | Very low | 34.2 | Very low | 190 Ų | 190 | 167 Ų | 167 | 83% | 0.826 | 85% | 0.852 | S | S | * | * | | | trans | -141.9 | 17.6 | -178.7 | -74.7 | -162 | 175.5 | -179 | 0 | 116.4 | | |
| 10 | F | 34.9 | Very low | 34 | Very low | 203 Ų | 203 | 165 Ų | 165 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | | | trans | -140.2 | 79.3 | 175.9 | -80 | -73.3 | 0 | 0 | 0 | 114.4 | | |
| 11 | Y | 31.9 | Very low | 34 | Very low | 232 Ų | 232 | 165 Ų | 165 | 91% | 0.91 | 85% | 0.847 | S | S | * | * | | | trans | -159.6 | 125.2 | 140.3 | -120.7 | -79 | 0 | 0 | 0 | 109.7 | | |
| 12 | K | 35 | Very low | 33.8 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 119.1 | 171 | -74.6 | -176 | 177.3 | -179.4 | 0 | 109.1 | V14 | K12-V14 PolarHBondContact O-N 3.17Š|
| 13 | P | 37.9 | Very low | 33.6 | Very low | 130 Ų | 130 | 160 Ų | 160 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.2 | 161.6 | 23 | -16.1 | 0 | 0 | 0 | 108.5 | | |
| 14 | V | 35.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 158 Ų | 158 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 128.4 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 109 | K12 | K12-V14 PolarHBondContact O-N 3.17Š|
| 15 | G | 29.2 | Very low | 33.4 | Very low | 65 Ų | 65 | 160.4 Ų | 160.4 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | | | trans | 97.6 | 50.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 16 | Y | 32.2 | Very low | 33.5 | Very low | 222 Ų | 222 | 156.5 Ų | 156.5 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | | | trans | -114.1 | 119.4 | 151.2 | -88 | -89.1 | 0 | 0 | 0 | 110.3 | I18 | Y16-I18 PolarHBondContact O-N 2.8Š|
| 17 | K | 30.6 | Very low | 33 | Very low | 216 Ų | 216 | 155.6 Ų | 155.6 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | | | trans | -84.2 | 101.9 | 168.8 | -76 | -177.2 | 175.3 | -179 | 0 | 108.5 | | |
| 18 | I | 35.7 | Very low | 33 | Very low | 150 Ų | 150 | 155.7 Ų | 155.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 126.2 | 159.9 | -59.2 | 177.2 | 0 | 0 | 0 | 106 | Y16 | Y16-I18 PolarHBondContact O-N 2.8Š|
| 19 | A | 32.9 | Very low | 33 | Very low | 92 Ų | 92 | 157.1 Ų | 157.1 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 129.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 20 | P | 31.1 | Very low | 33 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 117.1 | 175 | 33.5 | -28.8 | 0 | 0 | 0 | 110.3 | | |
| 21 | E | 34 | Very low | 32.9 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -147.7 | 152.5 | 166.4 | -144.7 | 172.1 | -175.3 | 0 | 0 | 112 | | |
| 22 | M | 33.8 | Very low | 33 | Very low | 165 Ų | 165 | 144 Ų | 144 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | 62.9 | 69.7 | 171.8 | -46 | -166 | -164.8 | 0 | 0 | 115.8 | | |
| 23 | A | 29.8 | Very low | 32.9 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | | | trans | -79.8 | 163.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 24 | L | 31.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 71.7 | 136.6 | 179.6 | -46.7 | 165.4 | 0 | 0 | 0 | 112.1 | | |
| 25 | R | 30.8 | Very low | 32.6 | Very low | 200 Ų | 200 | 138 Ų | 138 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | cis | -141.8 | 157.7 | 34.2 | -101.3 | -172.5 | 165.4 | -85.9 | -2.9 | 115.1 | | |
| 26 | D | 34.4 | Very low | 33 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | | | trans | 57 | 88.8 | 144.4 | -48.5 | -11.5 | 0 | 0 | 0 | 117.9 | | |
| 27 | C | 26.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | -74.4 | 139 | 144.9 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 28 | E | 38.3 | Very low | 33.4 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | | | trans | -123.9 | 151.7 | 160.5 | -83.3 | -75.7 | 154.8 | 0 | 0 | 107.2 | | |
| 29 | D | 33 | Very low | 33.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | -84.5 | 159.4 | -147.6 | -84.2 | -46.4 | 0 | 0 | 0 | 116.7 | | |
| 30 | P | 33.8 | Very low | 33.3 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | | | trans | -70.7 | 158.8 | 165.8 | 33.8 | -36.7 | 0 | 0 | 0 | 111.5 | | |
| 31 | L | 34.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | | | trans | 172.6 | 125.4 | 145.9 | -99.7 | 164.4 | 0 | 0 | 0 | 110.1 | E598 | L31-E598 WeakPolarHBondContact CD2-OE2 3.43Å; L31-E598 WeakPolarHBondContact CG-OE2 3.46Å |
| 32 | N | 34 | Very low | 33.7 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | | | | 147.1 | 112.9 | 116.9 | -167.9 | 21.4 | 0 | 0 | 0 | 113.4 | | |
| 33 | P | 31.9 | Very low | 33.8 | Very low | 52 Ų | 52 | 139.1 Ų | 139.1 | 34% | 0.338 | 75% | 0.746 | S | S | . | * | | | trans | -71.9 | 172.4 | 174.5 | 22.1 | -27.5 | 0 | 0 | 0 | 114.2 | D597 | P33-D597 WeakPolarHBondContact CA-OD2 3.39Å; P33-D597 HydrophobicContact CB-CB 4.41Å; P33-D597 WeakPolarHBondContact CB-OD2 3.49Å; P33-D597 VanDerWaalsContact CD-OD2 3.27Å; P33-D597 WeakPolarHBondContact CD-OD2 3.24Å; P33-D597 HydrophobicContact CG-CB 4.21Å; P33-D597 VanDerWaalsContact N-OD2 3.13Å |
| 34 | N | 31.7 | Very low | 34.1 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | 63.8 | 82 | 158.5 | -62.2 | -42 | 0 | 0 | 0 | 118.2 | | |
| 35 | S | 35.2 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | | | trans | -146.9 | 63 | 153.6 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | G37 | S35-G37 PolarHBondContact O-N 3.39Š|
| 36 | R | 37.8 | Very low | 34.8 | Very low | 259 Ų | 259 | 135.1 Ų | 135.1 | 98% | 0.977 | 73% | 0.734 | S | S | * | * | | | trans | -76 | 105.7 | 154 | -89.3 | -164.2 | 178.4 | -158.7 | 1.1 | 108.6 | | |
| 37 | G | 34.9 | Very low | 34.8 | Very low | 58 Ų | 58 | 135.6 Ų | 135.6 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | | | trans | -72.9 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | S35 | S35-G37 PolarHBondContact O-N 3.39Š|
| 38 | F | 35.1 | Very low | 35.1 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | | | trans | 82.1 | 70.9 | 164.2 | -51.8 | -68.9 | 0 | 0 | 0 | 119.1 | | |
| 39 | S | 30.6 | Very low | 34.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | -46 | 154.2 | 120 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 40 | S | 35.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | cis | -154.9 | 164.7 | 15.8 | -16.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 41 | D | 34.5 | Very low | 34.7 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | | -175.7 | 159.2 | 73.6 | -146.7 | 26.3 | 0 | 0 | 0 | 110.9 | | |
| 42 | P | 39.1 | Very low | 34.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | | | trans | -113.2 | 161.1 | -178 | 39.6 | -30.4 | 0 | 0 | 0 | 114.1 | | |
| 43 | R | 36.8 | Very low | 34.7 | Very low | 247 Ų | 247 | 134.1 Ų | 134.1 | 93% | 0.932 | 75% | 0.748 | S | S | * | * | | | trans | -178.1 | 152.1 | 135.1 | -100.9 | 151.1 | -174.2 | -173.7 | 2.4 | 114.6 | | |
| 44 | S | 35.2 | Very low | 34.7 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -84.3 | -162.3 | 164.3 | 63.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 45 | P | 44.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | | | cis | -145.8 | -167 | 13.7 | 22.9 | 7.5 | 0 | 0 | 0 | 116.6 | | |
| 46 | F | 33.1 | Very low | 35 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | | | trans | 95.6 | 113.6 | 145.3 | -73.4 | -50.3 | 0 | 0 | 0 | 122.1 | | |
| 47 | N | 35.1 | Very low | 35 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | | 98.7 | 117.9 | 119.3 | -80.2 | -26.8 | 0 | 0 | 0 | 121.7 | | |
| 48 | R | 33.2 | Very low | 35.1 | Very low | 204 Ų | 204 | 132 Ų | 132 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | | 80.7 | 119.8 | 129.5 | -73.2 | 179.2 | 179 | -139.9 | -0.6 | 120 | | |
| 49 | L | 33.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | trans | 64 | 137.5 | 133.5 | -54.8 | 166.8 | 0 | 0 | 0 | 117.8 | | |
| 50 | G | 30 | Very low | 35.7 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | | | cis | 148.4 | 130.7 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 51 | A | 32 | Very low | 35.7 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 70.9 | 162.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 52 | T | 34.9 | Very low | 35.8 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | | | trans | 83.7 | 125.1 | 164.7 | 66.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 53 | S | 33.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 18.6 | 140.8 | 147.5 | 53.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 54 | G | 30.6 | Very low | 35.5 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | cis | 121.5 | 172.2 | 19.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 55 | L | 36.9 | Very low | 35.3 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | 70.6 | 145.2 | -172.9 | -48.5 | 175.5 | 0 | 0 | 0 | 114.5 | | |
| 56 | D | 36.9 | Very low | 34.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | | | cis | -165 | 175.9 | -34.9 | -129 | -35.8 | 0 | 0 | 0 | 111.6 | | |
| 57 | N | 38.4 | Very low | 34.9 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | 77.7 | 122.7 | 158.9 | -57.2 | -41.2 | 0 | 0 | 0 | 121.2 | | |
| 58 | T | 37.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | 45.2 | 133.8 | 135.5 | 59.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 59 | D | 38.8 | Very low | 34.4 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | cis | -164 | 168.4 | 25.2 | -110.8 | -27.9 | 0 | 0 | 0 | 108.8 | | |
| 60 | T | 39.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | cis | -158.6 | 155.3 | -24.3 | -128.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 61 | F | 34.7 | Very low | 34.5 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 87% | 0.873 | 74% | 0.736 | S | S | * | * | | | trans | 7 | 143.3 | 169.2 | -62.9 | -102.8 | 0 | 0 | 0 | 121.4 | | |
| 62 | G | 37.9 | Very low | 34.5 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | cis | -148.8 | 171.7 | 21.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 63 | T | 34.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | trans | -138.9 | 176.3 | -167 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 64 | R | 33.5 | Very low | 34.2 | Very low | 215 Ų | 215 | 135.7 Ų | 135.7 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | 73.7 | 152.5 | 154 | -76.6 | -173.5 | 159.2 | 165.5 | -3.3 | 116 | | |
| 65 | N | 32.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 52% | 0.519 | 75% | 0.748 | S | S | . | * | | | cis | -167.2 | 170.1 | -3.8 | -127.4 | 1.3 | 0 | 0 | 0 | 112.7 | | |
| 66 | Q | 33.7 | Very low | 34.2 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 65.4 | 163.2 | 141.6 | -76.5 | 161.4 | -35.9 | 0 | 0 | 118.1 | | |
| 67 | T | 34.1 | Very low | 34 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | cis | -152.9 | 135.4 | -8.5 | -108.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 68 | V | 30.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | | 81.2 | 118.5 | 52.7 | 175.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 69 | A | 28.2 | Very low | 33.8 | Very low | 83 Ų | 83 | 142 Ų | 142 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | | | trans | 79.7 | 133.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 70 | N | 34.3 | Very low | 33.4 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | 97.3 | 138.7 | 134.6 | -70.8 | 9.7 | 0 | 0 | 0 | 124 | | |
| 71 | E | 30 | Very low | 33.1 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | -65 | 152.9 | 177.8 | -50.1 | 147.8 | 112.3 | 0 | 0 | 113.9 | | |
| 72 | V | 33.7 | Very low | 33 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -149.1 | 143.9 | 135.4 | 164.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 73 | Q | 31.4 | Very low | 32.5 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -103.9 | -173.7 | 176.4 | -165.2 | 173.8 | -3.4 | 0 | 0 | 110.9 | | |
| 74 | F | 30.3 | Very low | 32.3 | Very low | 200 Ų | 200 | 138 Ų | 138 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | 79.5 | 146.7 | -180 | -48.9 | -78.9 | 0 | 0 | 0 | 114.5 | | |
| 75 | G | 33.9 | Very low | 32.1 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | cis | -159.4 | 174.9 | 1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 76 | L | 32.8 | Very low | 31.9 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -77.3 | 153.9 | -179 | -61.6 | 166.3 | 0 | 0 | 0 | 112.5 | | |
| 77 | S | 33.6 | Very low | 31.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -172 | 144.7 | 134.7 | -91.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 78 | D | 33.6 | Very low | 31.5 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -83.1 | 157.6 | 177.4 | -50.4 | -91.1 | 0 | 0 | 0 | 112.7 | | |
| 79 | E | 37.9 | Very low | 31.4 | Very low | 202 Ų | 202 | 131.5 Ų | 131.5 | 94% | 0.944 | 79% | 0.788 | S | S | * | * | | | | -157.2 | 165.7 | 125.8 | -119.9 | -175.9 | 158.8 | 0 | 0 | 111.4 | | |
| 80 | S | 30.2 | Very low | 31.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -139.7 | 129.4 | -164.5 | 59.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 81 | S | 34.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -168.3 | 110.8 | 163 | 23.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 82 | S | 32.3 | Very low | 31.6 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | | 71.5 | 114.9 | 66.9 | 76.5 | 0 | 0 | 0 | 0 | 114 | | |
| 83 | T | 27.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | 63 | 147.2 | 159.4 | 53.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 84 | S | 28.5 | Very low | 31.5 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | | | cis | -174.6 | 172.1 | -10 | 48.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 85 | L | 30.6 | Very low | 31.4 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 68.6 | 160.3 | 170.8 | -49.8 | 177.3 | 0 | 0 | 0 | 113.7 | | |
| 86 | S | 28.7 | Very low | 31.3 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | cis | -169.3 | 148.9 | -27.7 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | S | 28.6 | Very low | 31.3 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | 69.3 | 155.4 | 153.8 | -55.6 | 0 | 0 | 0 | 0 | 119 | | |
| 88 | S | 30.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 64.8 | 153.7 | 171.3 | -100 | 0 | 0 | 0 | 0 | 117.5 | | |
| 89 | S | 28.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | | | cis | 177.6 | 143.5 | -35.2 | 46.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 90 | S | 29.3 | Very low | 31.4 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 59.8 | 165.5 | 179.2 | 30 | 0 | 0 | 0 | 0 | 114.9 | | |
| 91 | D | 32.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | 65.5 | 133.7 | 174.1 | -49.7 | -31.7 | 0 | 0 | 0 | 115.1 | | |
| 92 | L | 34.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | cis | -130.1 | 148.2 | 6.9 | -68.9 | 164.4 | 0 | 0 | 0 | 111.2 | S94 | L92-S94 PolarHBondContact O-N 3.37Š|
| 93 | M | 29.3 | Very low | 32.7 | Very low | 196 Ų | 196 | 119.5 Ų | 119.5 | 97% | 0.966 | 73% | 0.733 | S | S | * | * | | | trans | -72.8 | 106.6 | 154.4 | -82.5 | -75.7 | -73.9 | 0 | 0 | 108 | | |
| 94 | S | 32.9 | Very low | 33.5 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | -150.4 | 127.2 | 174.3 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | L92 S96 | L92-S94 PolarHBondContact O-N 3.37Å; S94-S96 PolarHBondContact O-N 3.45Å |
| 95 | S | 27.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -84.4 | 113.3 | -170.4 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 96 | S | 32.6 | Very low | 35 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | -94.8 | 100.7 | 158.8 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | S94 T98 | S94-S96 PolarHBondContact O-N 3.45Å; S96-T98 PolarHBondContact O-N 3.25Å |
| 97 | V | 32 | Very low | 35.9 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | | | trans | -76.4 | 88.7 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 98 | T | 38 | Very low | 37.2 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | | | trans | -96.8 | 128.8 | 167.4 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | S96 G100 | S96-T98 PolarHBondContact O-N 3.25Å; T98-G100 PolarHBondContact O-N 3.42Å |
| 99 | E | 36.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | | | trans | -51.2 | 119.2 | -166.4 | -60.1 | -168.9 | 139.9 | 0 | 0 | 114.9 | K101 | E99-K101 PolarHBondContact O-N 2.8Å; E99-K101 IonicContact OE2-NZ 2.78Å; E99-K101 PolarHBondContact OE2-NZ 2.96Å |
| 100 | G | 34.2 | Very low | 40.8 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | | | trans | -76.8 | 72 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T98 | T98-G100 PolarHBondContact O-N 3.42Š|
| 101 | K | 45.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | | | trans | -91.1 | -4.6 | 171.3 | -75.5 | 168.1 | -178.6 | 141.5 | 0 | 114.5 | E99 | E99-K101 PolarHBondContact O-N 2.8Å; E99-K101 IonicContact OE2-NZ 2.78Å; E99-K101 PolarHBondContact OE2-NZ 2.96Å |
| 102 | C | 38 | Very low | 45.4 | Very low | 93 Ų | 93 | 123 Ų | 123 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -90.6 | -18.7 | -176.9 | -169.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 103 | C | 40.6 | Very low | 47.8 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -80.8 | -23 | -170.8 | -58.6 | 0 | 0 | 0 | 0 | 114.6 | L107 | C103-L107 WeakPolarHBondContact O-CG 3.38Å; C103-L107 PolarHBondContact O-N 3.37Å; C103-L107 VanDerWaalsContact O-N 3.13Å |
| 104 | E | 43.5 | Very low | 50.3 | Low | 156 Ų | 156 | 113.2 Ų | 113.2 | 73% | 0.729 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75 | -33.8 | -170.6 | -165.9 | 164.2 | -160.2 | 0 | 0 | 113 | S108 | E104-S108 WeakPolarHBondContact O-CB 3.44Å; E104-S108 PolarHBondContact O-N 3.25Å; E104-S108 PolarHBondContact O-OG 3.28Å |
| 105 | E | 45.8 | Very low | 52.9 | Low | 155 Ų | 155 | 111.8 Ų | 111.8 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.2 | -40 | 174 | -64 | -169.5 | 156 | 0 | 0 | 111.9 | S108 L109 | E105-S108 WeakPolarHBondContact CA-OG 3.46Å; E105-S108 PolarHBondContact O-N 3.23Å; E105-S108 PolarHBondContact O-OG 3.36Å; E105-S108 VanDerWaalsContact O-OG 3.09Å; E105-L109 WeakPolarHBondContact O-CB 3.05Å; E105-L109 PolarHBondContact O-N 3.26Å |
| 106 | H | 45.8 | Very low | 55.8 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -40.5 | 176.3 | -77.9 | -72.4 | 0 | 0 | 0 | 112.8 | T110 | H106-T110 WeakPolarHBondContact O-CB 3.4Å; H106-T110 PolarHBondContact O-N 3.39Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.19Å |
| 107 | L | 48.1 | Very low | 58.6 | Low | 125 Ų | 125 | 111.2 Ų | 111.2 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.7 | -41.8 | 174.8 | -75.3 | 170.8 | 0 | 0 | 0 | 112 | C103 T110 R111 | C103-L107 WeakPolarHBondContact O-CG 3.38Å; C103-L107 PolarHBondContact O-N 3.37Å; C103-L107 VanDerWaalsContact O-N 3.13Å; L107-T110 PolarHBondContact O-N 2.77Å; L107-R111 WeakPolarHBondContact O-CB 3.25Å; L107-R111 PolarHBondContact O-N 3.11Å |
| 108 | S | 54.8 | Low | 61.4 | Low | 63 Ų | 63 | 109.3 Ų | 109.3 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.4 | -38 | 179 | 52.1 | 0 | 0 | 0 | 0 | 113 | E104 E105 R111 E112 | E104-S108 WeakPolarHBondContact O-CB 3.44Å; E104-S108 PolarHBondContact O-N 3.25Å; E104-S108 PolarHBondContact O-OG 3.28Å; E105-S108 WeakPolarHBondContact CA-OG 3.46Å; E105-S108 PolarHBondContact O-N 3.23Å; E105-S108 PolarHBondContact O-OG 3.36Å; E105-S108 VanDerWaalsContact O-OG 3.09Å; S108-R111 PolarHBondContact O-N 3.42Å; S108-E112 WeakPolarHBondContact O-CB 3.18Å; S108-E112 PolarHBondContact O-N 3.47Å |
| 109 | L | 58.6 | Low | 64 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -43.5 | 171.1 | -179.7 | 62.1 | 0 | 0 | 0 | 112.1 | E105 E112 M113 | E105-L109 WeakPolarHBondContact O-CB 3.05Å; E105-L109 PolarHBondContact O-N 3.26Å; L109-E112 WeakPolarHBondContact O-CB 3.07Å; L109-E112 PolarHBondContact O-N 3.3Å; L109-M113 PolarHBondContact O-N 2.85Å |
| 110 | T | 76.8 | Confident | 66.6 | Low | 94 Ų | 94 | 108.8 Ų | 108.8 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.2 | -42.1 | 176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | H106 L107 M113 A114 | H106-T110 WeakPolarHBondContact O-CB 3.4Å; H106-T110 PolarHBondContact O-N 3.39Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.19Å; L107-T110 PolarHBondContact O-N 2.77Å; T110-M113 PolarHBondContact O-N 3.05Å; T110-A114 WeakPolarHBondContact O-CB 3.37Å; T110-A114 PolarHBondContact O-N 3.45Å |
| 111 | R | 79.2 | Confident | 69.2 | Low | 183 Ų | 183 | 109.2 Ų | 109.2 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 176.1 | -174.2 | 177.5 | -177.8 | -122.8 | 3.4 | 112.5 | L107 S108 A114 I115 | L107-R111 WeakPolarHBondContact O-CB 3.25Å; L107-R111 PolarHBondContact O-N 3.11Å; S108-R111 PolarHBondContact O-N 3.42Å; R111-A114 PolarHBondContact O-N 3.03Å; R111-I115 HydrophobicContact CG-CD1 4.01Å; R111-I115 WeakPolarHBondContact O-CB 3.37Å; R111-I115 WeakPolarHBondContact O-CD1 3.33Å; R111-I115 VanDerWaalsContact O-CG1 3.25Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 2.7Å |
| 112 | E | 79.5 | Confident | 71.4 | Confident | 101 Ų | 101 | 105.6 Ų | 105.6 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 171.7 | -91.2 | -92.1 | 146.4 | 0 | 0 | 111.1 | S108 L109 I115 R116 | S108-E112 WeakPolarHBondContact O-CB 3.18Å; S108-E112 PolarHBondContact O-N 3.47Å; L109-E112 WeakPolarHBondContact O-CB 3.07Å; L109-E112 PolarHBondContact O-N 3.3Å; E112-I115 PolarHBondContact O-N 3.3Å; E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.72Å; E112-R116 IonicContact OE2-CZ 3.39Å; E112-R116 IonicContact OE2-NE 3.3Å; E112-R116 PolarHBondContact OE2-NE 2.85Å; E112-R116 IonicContact OE2-NH2 3.37Å; E112-R116 PolarHBondContact OE2-NH2 3.3Å |
| 113 | M | 84.5 | Confident | 74 | Confident | 80 Ų | 80 | 106.7 Ų | 106.7 | 39% | 0.394 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | -179.4 | -169.6 | 160.7 | 179.7 | 0 | 0 | 112.3 | L109 T110 I115 R116 L117 T840 | L109-M113 PolarHBondContact O-N 2.85Å; T110-M113 PolarHBondContact O-N 3.05Å; M113-I115 PolarHBondContact O-N 2.72Å; M113-R116 PolarHBondContact O-N 2.95Å; M113-L117 HydrophobicContact CG-CD1 4.3Å; M113-L117 WeakPolarHBondContact O-CG 3.22Å; M113-L117 PolarHBondContact O-N 2.71Å; M113-T840 HydrophobicContact CE-CG2 4.09Å |
| 114 | A | 81.6 | Confident | 76.4 | Confident | 56 Ų | 56 | 106.5 Ų | 106.5 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T110 R111 R116 L117 L118 | T110-A114 WeakPolarHBondContact O-CB 3.37Å; T110-A114 PolarHBondContact O-N 3.45Å; R111-A114 PolarHBondContact O-N 3.03Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.47Å; A114-L117 PolarHBondContact O-N 3.48Å; A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 PolarHBondContact O-N 2.86Å |
| 115 | I | 88.1 | Confident | 78.7 | Confident | 68 Ų | 68 | 103.2 Ų | 103.2 | 35% | 0.349 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 175.9 | -71 | 165.5 | 0 | 0 | 0 | 111.5 | R111 E112 M113 K119 | R111-I115 HydrophobicContact CG-CD1 4.01Å; R111-I115 WeakPolarHBondContact O-CB 3.37Å; R111-I115 WeakPolarHBondContact O-CD1 3.33Å; R111-I115 VanDerWaalsContact O-CG1 3.25Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 2.7Å; E112-I115 PolarHBondContact O-N 3.3Å; M113-I115 PolarHBondContact O-N 2.72Å; I115-K119 HydrophobicContact CG2-CD 4.24Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.78Å; I115-K119 VanDerWaalsContact O-N 3.1Å |
| 116 | R | 88.1 | Confident | 80.9 | Confident | 139 Ų | 139 | 102.7 Ų | 102.7 | 53% | 0.525 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 175.3 | -66.8 | 171.1 | -156.9 | 173.4 | 4.9 | 111.3 | E112 M113 A114 L118 K119 E120 | E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.72Å; E112-R116 IonicContact OE2-CZ 3.39Å; E112-R116 IonicContact OE2-NE 3.3Å; E112-R116 PolarHBondContact OE2-NE 2.85Å; E112-R116 IonicContact OE2-NH2 3.37Å; E112-R116 PolarHBondContact OE2-NH2 3.3Å; M113-R116 PolarHBondContact O-N 2.95Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.47Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.15Å; R116-K119 PolarHBondContact O-N 3.34Å; R116-E120 PolarHBondContact O-N 2.77Å |
| 117 | L | 91.1 | Very high | 83 | Confident | 65 Ų | 65 | 100.2 Ų | 100.2 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177 | -70.7 | 169.3 | 0 | 0 | 0 | 112 | M113 A114 E120 Y121 | M113-L117 HydrophobicContact CG-CD1 4.3Å; M113-L117 WeakPolarHBondContact O-CG 3.22Å; M113-L117 PolarHBondContact O-N 2.71Å; A114-L117 PolarHBondContact O-N 3.48Å; L117-E120 PolarHBondContact O-N 3.19Å; L117-Y121 WeakPolarHBondContact O-CB 3.37Å; L117-Y121 PolarHBondContact O-N 3.1Å |
| 118 | L | 91.2 | Very high | 85 | Confident | 104 Ų | 104 | 100 Ų | 100 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.1 | -175.5 | 62.9 | 0 | 0 | 0 | 112.2 | A114 R116 Y121 V122 | A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 PolarHBondContact O-N 2.86Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.15Å; L118-Y121 PolarHBondContact O-N 2.81Å; L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.81Å |
| 119 | K | 92.2 | Very high | 86.6 | Confident | 148 Ų | 148 | 99.1 Ų | 99.1 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 174.4 | -76 | 170.7 | 179.4 | 176.5 | 0 | 112.1 | I115 R116 K123 | I115-K119 HydrophobicContact CG2-CD 4.24Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.78Å; I115-K119 VanDerWaalsContact O-N 3.1Å; R116-K119 PolarHBondContact O-N 3.34Å; K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.71Å |
| 120 | E | 90.9 | Very high | 88 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 176.5 | -171.2 | 175.4 | 176 | 0 | 0 | 111.7 | R116 L117 K123 N124 | R116-E120 PolarHBondContact O-N 2.77Å; L117-E120 PolarHBondContact O-N 3.19Å; E120-K123 WeakPolarHBondContact O-CB 3.3Å; E120-K123 PolarHBondContact O-N 2.78Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 2.67Å |
| 121 | Y | 89.9 | Confident | 88.6 | Confident | 75 Ų | 75 | 95 Ų | 95 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.4 | -176.6 | -109.6 | 0 | 0 | 0 | 112.4 | L117 L118 K123 N124 L125 | L117-Y121 WeakPolarHBondContact O-CB 3.37Å; L117-Y121 PolarHBondContact O-N 3.1Å; L118-Y121 PolarHBondContact O-N 2.81Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.24Å; Y121-N124 PolarHBondContact O-N 2.99Å; Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CE1-CD1 3.41Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 PolarHBondContact O-N 2.92Å |
| 122 | V | 92 | Very high | 88.8 | Confident | 86 Ų | 86 | 90 Ų | 90 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | L118 K126 | L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.81Å; V122-K126 WeakPolarHBondContact O-CB 3.47Å; V122-K126 PolarHBondContact O-N 2.9Å |
| 123 | K | 92.2 | Very high | 89 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 172.4 | 179.9 | -171.7 | 169.2 | -63.5 | 0 | 110.9 | K119 E120 Y121 L125 K126 D127 | K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.71Å; E120-K123 WeakPolarHBondContact O-CB 3.3Å; E120-K123 PolarHBondContact O-N 2.78Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.24Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.91Å; K123-K126 WeakPolarHBondContact O-CA 3.47Å; K123-K126 WeakPolarHBondContact O-CB 3.39Å; K123-K126 PolarHBondContact O-N 2.74Å; K123-D127 IonicContact NZ-OD2 2.68Å; K123-D127 PolarHBondContact NZ-OD2 3.19Å; K123-D127 VanDerWaalsContact O-CG 3.3Å; K123-D127 PolarHBondContact O-N 2.8Å |
| 124 | N | 91.1 | Very high | 88.9 | Confident | 78 Ų | 78 | 93.3 Ų | 93.3 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | -177.1 | -66.7 | -15.7 | 0 | 0 | 0 | 112 | E120 Y121 F128 | E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 2.67Å; Y121-N124 PolarHBondContact O-N 2.99Å; N124-F128 VanDerWaalsContact O-CB 3.31Å; N124-F128 WeakPolarHBondContact O-CB 3.4Å; N124-F128 PolarHBondContact O-N 2.75Å |
| 125 | L | 90.9 | Very high | 88.9 | Confident | 86 Ų | 86 | 96 Ų | 96 | 45% | 0.45 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 168.8 | -83.7 | 169.2 | 0 | 0 | 0 | 112.7 | Y121 K123 S129 | Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CE1-CD1 3.41Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 PolarHBondContact O-N 2.92Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.91Å; L125-S129 WeakPolarHBondContact O-CB 3.37Å; L125-S129 PolarHBondContact O-N 3.15Å |
| 126 | K | 92.1 | Very high | 88.3 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 178.1 | -174.5 | 178.6 | 178.3 | -178.7 | 0 | 112.1 | V122 K123 S130 | V122-K126 WeakPolarHBondContact O-CB 3.47Å; V122-K126 PolarHBondContact O-N 2.9Å; K123-K126 WeakPolarHBondContact O-CA 3.47Å; K123-K126 WeakPolarHBondContact O-CB 3.39Å; K123-K126 PolarHBondContact O-N 2.74Å; K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 2.79Å; K126-S130 PolarHBondContact O-OG 2.95Å |
| 127 | D | 89.4 | Confident | 87.4 | Confident | 73 Ų | 73 | 94.8 Ų | 94.8 | 39% | 0.39 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.4 | -45.8 | 177.9 | -64.4 | -13.9 | 0 | 0 | 0 | 110.5 | K123 S129 S130 M131 | K123-D127 IonicContact NZ-OD2 2.68Å; K123-D127 PolarHBondContact NZ-OD2 3.19Å; K123-D127 VanDerWaalsContact O-CG 3.3Å; K123-D127 PolarHBondContact O-N 2.8Å; D127-S129 PolarHBondContact O-N 3.04Å; D127-S130 WeakPolarHBondContact O-CB 3.35Å; D127-S130 PolarHBondContact O-N 2.8Å; D127-S130 VanDerWaalsContact O-N 3.09Å; D127-M131 PolarHBondContact O-N 3.09Å |
| 128 | F | 90.8 | Very high | 86 | Confident | 119 Ų | 119 | 95 Ų | 95 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 173.1 | -179.3 | -94 | 0 | 0 | 0 | 112.3 | N124 S130 M131 M132 | N124-F128 VanDerWaalsContact O-CB 3.31Å; N124-F128 WeakPolarHBondContact O-CB 3.4Å; N124-F128 PolarHBondContact O-N 2.75Å; F128-S130 PolarHBondContact O-N 3.24Å; F128-M131 HydrophobicContact CD2-CE 3.45Å; F128-M131 VanDerWaalsContact CD2-CE 3.45Å; F128-M131 HydrophobicContact CE2-CE 3.59Å; F128-M131 HydrophobicContact CG-CE 4.32Å; F128-M131 PolarHBondContact O-N 2.93Å; F128-M132 HydrophobicContact CD1-CG 4.12Å; F128-M132 HydrophobicContact CE1-CG 3.7Å; F128-M132 HydrophobicContact CE2-CG 4.42Å; F128-M132 HydrophobicContact CZ-CG 3.87Å; F128-M132 HydrophobicContact CZ-SD 4.12Å; F128-M132 WeakPolarHBondContact O-CG 3.38Å; F128-M132 PolarHBondContact O-N 2.78Å |
| 129 | S | 88.5 | Confident | 84.5 | Confident | 46 Ų | 46 | 94 Ų | 94 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -34 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | L125 D127 R133 | L125-S129 WeakPolarHBondContact O-CB 3.37Å; L125-S129 PolarHBondContact O-N 3.15Å; D127-S129 PolarHBondContact O-N 3.04Å; S129-R133 PolarHBondContact O-N 2.67Å; S129-R133 VanDerWaalsContact O-N 3.12Å; S129-R133 PolarHBondContact OG-NH1 3.04Å; S129-R133 PolarHBondContact OG-NH2 2.83Å |
| 130 | S | 87.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 92.6 Ų | 92.6 | 34% | 0.336 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76 | -43.6 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | K126 D127 F128 M132 R133 E134 | K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 2.79Å; K126-S130 PolarHBondContact O-OG 2.95Å; D127-S130 WeakPolarHBondContact O-CB 3.35Å; D127-S130 PolarHBondContact O-N 2.8Å; D127-S130 VanDerWaalsContact O-N 3.09Å; F128-S130 PolarHBondContact O-N 3.24Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.08Å; S130-R133 PolarHBondContact O-N 2.85Å; S130-R133 PolarHBondContact OG-NH2 2.88Å; S130-E134 WeakPolarHBondContact O-CB 3.36Å; S130-E134 PolarHBondContact O-N 3.08Å |
| 131 | M | 89.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 96.6 Ų | 96.6 | 33% | 0.33 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 170.5 | 178.4 | -164.7 | 59 | 0 | 0 | 111.9 | D127 F128 E134 K135 | D127-M131 PolarHBondContact O-N 3.09Å; F128-M131 HydrophobicContact CD2-CE 3.45Å; F128-M131 VanDerWaalsContact CD2-CE 3.45Å; F128-M131 HydrophobicContact CE2-CE 3.59Å; F128-M131 HydrophobicContact CG-CE 4.32Å; F128-M131 PolarHBondContact O-N 2.93Å; M131-E134 PolarHBondContact O-N 2.8Å; M131-K135 HydrophobicContact CG-CD 4.33Å; M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 WeakPolarHBondContact O-CG 3.49Å; M131-K135 PolarHBondContact O-N 3.04Å |
| 132 | M | 84.6 | Confident | 78.5 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 39% | 0.389 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 177.7 | -71.2 | -59.4 | -65.6 | 0 | 0 | 112.3 | F128 S130 Q136 | F128-M132 HydrophobicContact CD1-CG 4.12Å; F128-M132 HydrophobicContact CE1-CG 3.7Å; F128-M132 HydrophobicContact CE2-CG 4.42Å; F128-M132 HydrophobicContact CZ-CG 3.87Å; F128-M132 HydrophobicContact CZ-SD 4.12Å; F128-M132 WeakPolarHBondContact O-CG 3.38Å; F128-M132 PolarHBondContact O-N 2.78Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.08Å; M132-Q136 WeakPolarHBondContact O-CG 3.15Å; M132-Q136 PolarHBondContact O-N 2.87Å |
| 133 | R | 84.2 | Confident | 76.3 | Confident | 123 Ų | 123 | 99.3 Ų | 99.3 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 171 | -79.4 | -173.3 | -68.4 | -87 | -8.7 | 112.7 | S129 S130 Q136 S137 | S129-R133 PolarHBondContact O-N 2.67Å; S129-R133 VanDerWaalsContact O-N 3.12Å; S129-R133 PolarHBondContact OG-NH1 3.04Å; S129-R133 PolarHBondContact OG-NH2 2.83Å; S130-R133 PolarHBondContact O-N 2.85Å; S130-R133 PolarHBondContact OG-NH2 2.88Å; R133-Q136 PolarHBondContact O-N 2.99Å; R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.36Å; R133-S137 PolarHBondContact O-N 2.62Å; R133-S137 PolarHBondContact O-OG 3.16Å |
| 134 | E | 82.6 | Confident | 73.8 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -50 | 175.8 | -176.6 | 177.7 | -164.8 | 0 | 0 | 110.5 | S130 M131 Q136 S137 T138 | S130-E134 WeakPolarHBondContact O-CB 3.36Å; S130-E134 PolarHBondContact O-N 3.08Å; M131-E134 PolarHBondContact O-N 2.8Å; E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 2.81Å; E134-S137 CarbonylContact O-C 3.53Å; E134-S137 WeakPolarHBondContact O-CA 3.31Å; E134-S137 WeakPolarHBondContact O-CB 3.3Å; E134-S137 PolarHBondContact O-N 2.97Å; E134-T138 PolarHBondContact O-N 3.47Å; E134-T138 PolarHBondContact O-OG1 2.9Å |
| 135 | K | 79.7 | Confident | 71.6 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 174.6 | -74.7 | 177.3 | 179.7 | 179.4 | 0 | 112.9 | M131 S137 T138 T139 | M131-K135 HydrophobicContact CG-CD 4.33Å; M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 WeakPolarHBondContact O-CG 3.49Å; M131-K135 PolarHBondContact O-N 3.04Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-T138 WeakPolarHBondContact CA-OG1 3.45Å; K135-T138 PolarHBondContact O-OG1 2.97Å; K135-T139 WeakPolarHBondContact O-CG2 3.2Å; K135-T139 PolarHBondContact O-N 3.45Å; K135-T139 PolarHBondContact O-OG1 3.03Å |
| 136 | Q | 75.9 | Confident | 68.8 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 173.6 | -76.3 | 175.8 | -26.3 | 0 | 0 | 111.8 | M132 R133 E134 T139 L140 | M132-Q136 WeakPolarHBondContact O-CG 3.15Å; M132-Q136 PolarHBondContact O-N 2.87Å; R133-Q136 PolarHBondContact O-N 2.99Å; E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 2.81Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.37Å; Q136-T139 PolarHBondContact O-OG1 2.87Å; Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 VanDerWaalsContact O-CG 3.31Å; Q136-L140 WeakPolarHBondContact O-CG 3.41Å; Q136-L140 PolarHBondContact O-N 3.26Å |
| 137 | S | 70.5 | Confident | 66 | Low | 67 Ų | 67 | 97.5 Ų | 97.5 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.5 | -36.1 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | R133 E134 K135 L140 R141 | R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.36Å; R133-S137 PolarHBondContact O-N 2.62Å; R133-S137 PolarHBondContact O-OG 3.16Å; E134-S137 CarbonylContact O-C 3.53Å; E134-S137 WeakPolarHBondContact O-CA 3.31Å; E134-S137 WeakPolarHBondContact O-CB 3.3Å; E134-S137 PolarHBondContact O-N 2.97Å; K135-S137 VanDerWaalsContact C-N 3.32Å; S137-L140 PolarHBondContact O-N 3.49Å; S137-R141 PolarHBondContact O-N 3.45Å |
| 138 | T | 61.2 | Low | 63.3 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -47 | 170.7 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | E134 K135 L140 R141 D142 | E134-T138 PolarHBondContact O-N 3.47Å; E134-T138 PolarHBondContact O-OG1 2.9Å; K135-T138 WeakPolarHBondContact CA-OG1 3.45Å; K135-T138 PolarHBondContact O-OG1 2.97Å; T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.88Å; T138-R141 PolarHBondContact O-N 3.07Å; T138-R141 VanDerWaalsContact O-N 3.11Å; T138-D142 VanDerWaalsContact O-CG 3.3Å; T138-D142 PolarHBondContact O-N 3.24Å |
| 139 | T | 58.4 | Low | 60.7 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -35.9 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | K135 Q136 D142 T143 | K135-T139 WeakPolarHBondContact O-CG2 3.2Å; K135-T139 PolarHBondContact O-N 3.45Å; K135-T139 PolarHBondContact O-OG1 3.03Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.37Å; Q136-T139 PolarHBondContact O-OG1 2.87Å; T139-D142 PolarHBondContact O-N 2.95Å; T139-T143 WeakPolarHBondContact O-CG2 3.38Å; T139-T143 PolarHBondContact O-N 2.94Å; T139-T143 PolarHBondContact O-OG1 3.18Å; T139-T143 VanDerWaalsContact O-OG1 3.07Å |
| 140 | L | 51.2 | Low | 58.1 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.6 | -36.9 | 176.7 | -81.1 | 166.9 | 0 | 0 | 0 | 112.6 | Q136 S137 T138 T143 S144 | Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 VanDerWaalsContact O-CG 3.31Å; Q136-L140 WeakPolarHBondContact O-CG 3.41Å; Q136-L140 PolarHBondContact O-N 3.26Å; S137-L140 PolarHBondContact O-N 3.49Å; T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.88Å; L140-T143 VanDerWaalsContact CA-OG1 3.3Å; L140-T143 WeakPolarHBondContact CA-OG1 3.43Å; L140-T143 PolarHBondContact O-N 2.87Å; L140-T143 PolarHBondContact O-OG1 3.48Å; L140-S144 PolarHBondContact O-N 3.41Å |
| 141 | R | 51.9 | Low | 55.5 | Low | 197 Ų | 197 | 106.5 Ų | 106.5 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72 | -37 | 172.9 | -76.8 | -169 | 171.2 | -149.4 | -2.8 | 112.7 | S137 T138 T143 S144 | S137-R141 PolarHBondContact O-N 3.45Å; T138-R141 PolarHBondContact O-N 3.07Å; T138-R141 VanDerWaalsContact O-N 3.11Å; R141-T143 VanDerWaalsContact C-N 3.27Å; R141-T143 PolarHBondContact O-N 2.94Å; R141-S144 WeakPolarHBondContact O-CA 3.49Å; R141-S144 WeakPolarHBondContact O-CB 3.47Å; R141-S144 PolarHBondContact O-N 2.9Å; R141-S144 PolarHBondContact O-OG 2.98Å |
| 142 | D | 45.4 | Very low | 53 | Low | 122 Ų | 122 | 108.9 Ų | 108.9 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.6 | -24.4 | 174.6 | -62.1 | -26.4 | 0 | 0 | 0 | 111.6 | T138 T139 S144 | T138-D142 VanDerWaalsContact O-CG 3.3Å; T138-D142 PolarHBondContact O-N 3.24Å; T139-D142 PolarHBondContact O-N 2.95Å; D142-S144 VanDerWaalsContact C-N 3.29Å |
| 143 | T | 45.4 | Very low | 50.8 | Low | 96 Ų | 96 | 110 Ų | 110 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -1.9 | 164.9 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | T139 L140 R141 T145 | T139-T143 WeakPolarHBondContact O-CG2 3.38Å; T139-T143 PolarHBondContact O-N 2.94Å; T139-T143 PolarHBondContact O-OG1 3.18Å; T139-T143 VanDerWaalsContact O-OG1 3.07Å; L140-T143 VanDerWaalsContact CA-OG1 3.3Å; L140-T143 WeakPolarHBondContact CA-OG1 3.43Å; L140-T143 PolarHBondContact O-N 2.87Å; L140-T143 PolarHBondContact O-OG1 3.48Å; R141-T143 VanDerWaalsContact C-N 3.27Å; R141-T143 PolarHBondContact O-N 2.94Å; T143-T145 PolarHBondContact O-N 3.39Å |
| 144 | S | 39.5 | Very low | 48.6 | Very low | 89 Ų | 89 | 109.3 Ų | 109.3 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | | | trans | -77.2 | 53.9 | 153 | 73.4 | 0 | 0 | 0 | 0 | 109.9 | L140 R141 D142 S146 | L140-S144 PolarHBondContact O-N 3.41Å; R141-S144 WeakPolarHBondContact O-CA 3.49Å; R141-S144 WeakPolarHBondContact O-CB 3.47Å; R141-S144 PolarHBondContact O-N 2.9Å; R141-S144 PolarHBondContact O-OG 2.98Å; D142-S144 VanDerWaalsContact C-N 3.29Å; S144-S146 PolarHBondContact O-N 3.36Å |
| 145 | T | 44.6 | Very low | 46.9 | Very low | 86 Ų | 86 | 107.7 Ų | 107.7 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | | | trans | -56.6 | 110.1 | 156.8 | 51.9 | 0 | 0 | 0 | 0 | 106.3 | T143 I148 | T143-T145 PolarHBondContact O-N 3.39Å; T145-I148 HydrophobicContact CG2-CD1 4.37Å |
| 146 | S | 32.7 | Very low | 45.3 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | | | trans | -38.1 | 136.1 | 152.6 | -56.8 | 0 | 0 | 0 | 0 | 107.7 | S144 I148 | S144-S146 PolarHBondContact O-N 3.36Å; S146-I148 PolarHBondContact O-N 3.43Å |
| 147 | P | 32.6 | Very low | 44 | Very low | 110 Ų | 110 | 107.7 Ų | 107.7 | 71% | 0.714 | 61% | 0.611 | S | S | * | * | | | trans | -47.4 | 121.6 | -170.3 | 20.6 | -33.7 | 0 | 0 | 0 | 108.1 | H149 | P147-H149 PolarHBondContact O-N 3Š|
| 148 | I | 33.8 | Very low | 42.8 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | | | trans | -66.5 | 93.6 | -172.8 | -58.8 | 177.5 | 0 | 0 | 0 | 106 | T145 S146 S150 | T145-I148 HydrophobicContact CG2-CD1 4.37Å; S146-I148 PolarHBondContact O-N 3.43Å; I148-S150 PolarHBondContact O-N 2.98Å |
| 149 | H | 36.4 | Very low | 42.1 | Very low | 157 Ų | 157 | 113.1 Ų | 113.1 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | | | trans | -55.3 | 86.8 | 145 | -79.9 | -67.8 | 0 | 0 | 0 | 104.8 | P147 | P147-H149 PolarHBondContact O-N 3Š|
| 150 | S | 32.3 | Very low | 41.6 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 63% | 0.626 | S | S | * | * | | | trans | -39.5 | 126.8 | 145.5 | 45 | 0 | 0 | 0 | 0 | 104.8 | I148 V152 | I148-S150 PolarHBondContact O-N 2.98Å; S150-V152 PolarHBondContact O-N 3Å |
| 151 | P | 33.4 | Very low | 41.2 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | | | trans | -51.1 | 115.9 | -176.6 | 20.4 | -31.9 | 0 | 0 | 0 | 105.7 | L153 | P151-L153 WeakPolarHBondContact O-CG 3.49Å; P151-L153 PolarHBondContact O-N 2.81Å |
| 152 | V | 36.4 | Very low | 40.7 | Very low | 118 Ų | 118 | 108 Ų | 108 | 72% | 0.715 | 62% | 0.615 | S | S | * | * | | | trans | -66.9 | 95 | -178.6 | 175.1 | 0 | 0 | 0 | 0 | 102.6 | S150 D154 | S150-V152 PolarHBondContact O-N 3Å; V152-D154 PolarHBondContact O-N 3.11Å |
| 153 | L | 38.3 | Very low | 40.6 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | | | trans | -71.6 | 87.8 | -165.3 | -90.7 | 157.8 | 0 | 0 | 0 | 106 | P151 S155 K158 | P151-L153 WeakPolarHBondContact O-CG 3.49Å; P151-L153 PolarHBondContact O-N 2.81Å; L153-S155 PolarHBondContact O-N 3.04Å; L153-K158 HydrophobicContact CB-CD 4.12Å; L153-K158 HydrophobicContact CB-CG 4.42Å |
| 154 | D | 38.3 | Very low | 40.5 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | | | trans | -52.1 | 128.2 | -161.3 | -163.5 | -9.1 | 0 | 0 | 0 | 108.4 | V152 H156 D157 | V152-D154 PolarHBondContact O-N 3.11Å; D154-H156 PolarHBondContact O-N 3.2Å; D154-D157 PolarHBondContact O-N 3.02Å |
| 155 | S | 46.8 | Very low | 40.5 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.8 | -20.7 | -156.7 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | L153 | L153-S155 PolarHBondContact O-N 3.04Å |
| 156 | H | 46.5 | Very low | 40.1 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 60% | 0.602 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.3 | -34.5 | 174 | -72.3 | -68.9 | 0 | 0 | 0 | 115.6 | D154 Q159 K160 | D154-H156 PolarHBondContact O-N 3.2Å; H156-Q159 PolarHBondContact O-N 3.42Å; H156-K160 PolarHBondContact O-N 3.07Å |
| 157 | D | 48.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 52% | 0.524 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -84.6 | -26.8 | -175.5 | -90.2 | -2.9 | 0 | 0 | 0 | 113 | D154 Q159 K160 C161 | D154-D157 PolarHBondContact O-N 3.02Å; D157-Q159 VanDerWaalsContact C-N 3.27Å; D157-Q159 PolarHBondContact O-N 2.82Å; D157-K160 PolarHBondContact O-N 3.29Å; D157-K160 IonicContact OD1-NZ 3.74Å; D157-C161 PolarHBondContact O-N 2.78Å |
| 158 | K | 45.4 | Very low | 40.7 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61 | -36.4 | 166.4 | -86.7 | 178.7 | 171.4 | 167.5 | 0 | 112.2 | L153 A162 | L153-K158 HydrophobicContact CB-CD 4.12Å; L153-K158 HydrophobicContact CB-CG 4.42Å; K158-A162 PolarHBondContact O-N 2.93Å |
| 159 | Q | 47 | Very low | 40.6 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 56% | 0.556 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.4 | -44.1 | 175.7 | -71.7 | -173.6 | -13.2 | 0 | 0 | 111.9 | H156 D157 C161 A162 I163 | H156-Q159 PolarHBondContact O-N 3.42Å; D157-Q159 VanDerWaalsContact C-N 3.27Å; D157-Q159 PolarHBondContact O-N 2.82Å; Q159-C161 VanDerWaalsContact C-N 3.26Å; Q159-C161 PolarHBondContact O-N 3.19Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.11Å; Q159-I163 HydrophobicContact CB-CD1 3.95Å; Q159-I163 WeakPolarHBondContact O-CB 3.44Å; Q159-I163 WeakPolarHBondContact O-CD1 3.5Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.32Å; Q159-I163 PolarHBondContact O-N 3.48Å |
| 160 | K | 47.7 | Very low | 40.5 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.3 | -27.6 | 179.3 | -75.7 | 177.6 | -175.5 | 162.5 | 0 | 114.7 | H156 D157 | H156-K160 PolarHBondContact O-N 3.07Å; D157-K160 PolarHBondContact O-N 3.29Å; D157-K160 IonicContact OD1-NZ 3.74Å |
| 161 | C | 42 | Very low | 40.9 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -88 | -14.7 | 176.2 | -74.6 | 0 | 0 | 0 | 0 | 114.4 | D157 Q159 | D157-C161 PolarHBondContact O-N 2.78Å; Q159-C161 VanDerWaalsContact C-N 3.26Å; Q159-C161 PolarHBondContact O-N 3.19Å |
| 162 | A | 43.1 | Very low | 41.1 | Very low | 58 Ų | 58 | 128 Ų | 128 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -88.8 | -42.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | K158 Q159 K164 R165 | K158-A162 PolarHBondContact O-N 2.93Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.11Å; A162-K164 PolarHBondContact O-N 2.83Å; A162-R165 PolarHBondContact O-N 3.28Å |
| 163 | I | 42.5 | Very low | 41 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 57% | 0.574 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 25.8 | -174.2 | -61 | 164.8 | 0 | 0 | 0 | 112.8 | Q159 | Q159-I163 HydrophobicContact CB-CD1 3.95Å; Q159-I163 WeakPolarHBondContact O-CB 3.44Å; Q159-I163 WeakPolarHBondContact O-CD1 3.5Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.32Å; Q159-I163 PolarHBondContact O-N 3.48Å |
| 164 | K | 42.7 | Very low | 41.1 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 19 | 176.6 | -74.3 | -164.8 | 173.2 | -172.5 | 0 | 114.4 | A162 | A162-K164 PolarHBondContact O-N 2.83Š|
| 165 | R | 38.8 | Very low | 41 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -35.4 | 170 | -73.1 | -170.6 | 176.7 | 79.9 | 0.8 | 114.2 | A162 | A162-R165 PolarHBondContact O-N 3.28Š|
| 166 | D | 37.8 | Very low | 40.3 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -105.7 | 44.5 | -171.8 | -54.7 | -68 | 0 | 0 | 0 | 113.2 | | |
| 167 | T | 39.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | | | trans | -148.1 | 50.4 | 179.3 | -35.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 168 | Q | 37 | Very low | 39 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | | | trans | -147.3 | 67.8 | 159.4 | -125.3 | 173.8 | 10.3 | 0 | 0 | 110.9 | | |
| 169 | N | 33.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | -97.1 | 147.4 | 165.6 | -135.4 | -5.2 | 0 | 0 | 0 | 107.7 | | |
| 170 | S | 34.8 | Very low | 38.1 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | trans | 53.3 | 119.5 | -174 | 44.9 | 0 | 0 | 0 | 0 | 114 | | |
| 171 | D | 40.1 | Very low | 37.5 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | | -166.7 | 164.8 | 53.1 | -118.5 | -11.4 | 0 | 0 | 0 | 113.5 | | |
| 172 | N | 36.3 | Very low | 37.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | 63.1 | 128.6 | 155.6 | -66.4 | -47.9 | 0 | 0 | 0 | 121 | | |
| 173 | T | 34.8 | Very low | 36.9 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -69.6 | -174.6 | 169.2 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 174 | V | 40.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | 95.4 | 77.1 | 166.9 | -165.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 175 | S | 36.3 | Very low | 36.1 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | | | | 85.3 | 145.9 | 126.2 | 89 | 0 | 0 | 0 | 0 | 121.7 | | |
| 176 | R | 33.3 | Very low | 35.7 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | 64.1 | 150.1 | 152.9 | -61.7 | 166.7 | -179.3 | -95.1 | 7.5 | 117.5 | | |
| 177 | Q | 34.3 | Very low | 35.7 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | cis | -153.4 | 142.8 | -19 | -116.2 | 168.2 | -87 | 0 | 0 | 106.8 | | |
| 178 | R | 32.1 | Very low | 35.5 | Very low | 238 Ų | 238 | 140.6 Ų | 140.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | | | trans | -100.7 | 132.1 | -177.3 | -165.3 | 177.3 | -168.2 | 158.6 | 3 | 111.2 | | |
| 179 | P | 40.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -71.9 | 130.9 | 173 | -19.6 | 33.2 | 0 | 0 | 0 | 113.2 | | |
| 180 | S | 32.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 178.1 | 161.6 | -25.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 181 | S | 35 | Very low | 35.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | cis | -158.8 | -177.6 | -3 | 51.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 182 | M | 36.9 | Very low | 35.3 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | cis | -133.3 | -172.9 | 6.8 | -53 | 166.9 | 77.4 | 0 | 0 | 106.8 | | |
| 183 | L | 35.5 | Very low | 35.2 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | | | cis | -129.2 | 169.6 | 2.3 | -85.2 | 93 | 0 | 0 | 0 | 107.1 | | |
| 184 | G | 32.3 | Very low | 35.1 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | cis | 153.7 | 45.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 185 | V | 37 | Very low | 34.8 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | | | trans | -130.3 | 141.2 | 167.3 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 186 | S | 30.9 | Very low | 34.8 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 77% | 0.767 | S | S | * | * | | | trans | -107.4 | 138.2 | -167.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 187 | D | 37 | Very low | 35 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | | -136.9 | 110.8 | 128.4 | -85.7 | -46.6 | 0 | 0 | 0 | 106 | | |
| 188 | M | 35.1 | Very low | 35.1 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | | 62.4 | 86.1 | 69.2 | -71.2 | -68.5 | 107.9 | 0 | 0 | 113.3 | | |
| 189 | H | 38.2 | Very low | 35.2 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | trans | -163.4 | 116.4 | 132.8 | -104.8 | -76.4 | 0 | 0 | 0 | 110.2 | | |
| 190 | Q | 36.7 | Very low | 34.9 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 57.8 | 136.3 | 151.3 | -63 | 159.1 | 5.2 | 0 | 0 | 118.6 | | |
| 191 | T | 32.2 | Very low | 35.1 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | cis | -161.6 | 151.7 | -6.1 | 8.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 192 | P | 33.8 | Very low | 35.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | | -136.1 | 173.4 | 96.8 | 34.8 | -21.3 | 0 | 0 | 0 | 113.7 | | |
| 193 | H | 33.2 | Very low | 35 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -73.5 | 173.9 | 177.1 | -85.3 | -112.3 | 0 | 0 | 0 | 113.2 | | |
| 194 | D | 34 | Very low | 35 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 77.1 | 140.7 | 157.2 | -63.2 | -21.3 | 0 | 0 | 0 | 119 | | |
| 195 | L | 33.9 | Very low | 34.9 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | cis | -164.3 | 133.5 | -21 | -179.7 | 64.1 | 0 | 0 | 0 | 108.6 | | |
| 196 | A | 36.3 | Very low | 34.4 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | 61.4 | 166.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 197 | Q | 37.5 | Very low | 34.4 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | cis | -159.2 | 159.4 | -24.4 | -112 | 166.6 | -14.8 | 0 | 0 | 107.5 | | |
| 198 | S | 35.2 | Very low | 34.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | 64.4 | 151.8 | 160.6 | -78.9 | 0 | 0 | 0 | 0 | 117 | | |
| 199 | D | 35.6 | Very low | 33.7 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | cis | -156.2 | 164.2 | -9.6 | -131.8 | -60.1 | 0 | 0 | 0 | 110.9 | | |
| 200 | R | 33.8 | Very low | 33.6 | Very low | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | trans | 46.7 | 137.9 | 150.8 | -84.4 | 159.2 | 161.2 | 164.3 | -4.7 | 121.1 | | |
| 201 | A | 37.1 | Very low | 33.4 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | cis | -166.3 | 163.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 202 | K | 37.3 | Very low | 33.1 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 60.1 | 88.4 | 153.8 | -65.7 | 170.7 | -177.4 | -175.8 | 0 | 116.7 | | |
| 203 | T | 31.7 | Very low | 32.9 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | 65.1 | 120.5 | 81.6 | 64.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 204 | P | 35.5 | Very low | 32.5 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | | | trans | -87.9 | 166.2 | 170.1 | 38.1 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 205 | T | 30.9 | Very low | 32.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | trans | -161.5 | 159.9 | 138.3 | 14.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 206 | S | 27.4 | Very low | 31.7 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | -55.2 | 162.3 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 207 | F | 30.9 | Very low | 31.2 | Very low | 172 Ų | 172 | 137 Ų | 137 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | | -168.7 | 160.9 | 116.3 | -88.3 | -50.9 | 0 | 0 | 0 | 112.3 | | |
| 208 | F | 28.9 | Very low | 30.7 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | | | trans | 6.2 | 143.4 | 149.6 | -58.9 | -62.3 | 0 | 0 | 0 | 118.6 | | |
| 209 | S | 27.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | cis | -175.7 | -166.8 | 6.3 | 178 | 0 | 0 | 0 | 0 | 107.2 | | |
| 210 | S | 35.4 | Very low | 30.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | 73.3 | 137.2 | 173 | 80.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 211 | L | 32.7 | Very low | 29.8 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | cis | -147.3 | 146.4 | -11.9 | -151.3 | 69.9 | 0 | 0 | 0 | 111.6 | | |
| 212 | D | 27.2 | Very low | 29.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | trans | -18 | 122.5 | 170.2 | -45.2 | -43.6 | 0 | 0 | 0 | 117.7 | | |
| 213 | H | 27.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | | | | -168.9 | 96.7 | 104.7 | -94.7 | 11.6 | 0 | 0 | 0 | 110.8 | V215 | H213-V215 HydrophobicContact CB-CG2 4.48Å; H213-V215 PolarHBondContact O-N 3.31Å |
| 214 | V | 25.1 | Very low | 29 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | trans | -71.9 | 102.8 | 154.1 | 175.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 215 | V | 26.6 | Very low | 28.8 | Very low | 105 Ų | 105 | 141 Ų | 141 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -92.3 | 91.1 | 160.2 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | H213 I217 | H213-V215 HydrophobicContact CB-CG2 4.48Å; H213-V215 PolarHBondContact O-N 3.31Å; V215-I217 HydrophobicContact CG1-CG1 4.43Å; V215-I217 PolarHBondContact O-N 3.29Å |
| 216 | D | 25.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 140 Ų | 140 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | trans | -52.1 | 110.7 | 149.6 | -74.3 | -54.4 | 0 | 0 | 0 | 106.7 | P218 | D216-P218 WeakPolarHBondContact O-CD 3.35Š|
| 217 | I | 25.8 | Very low | 28.6 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -70.9 | 106 | 160.6 | -62.9 | 178.9 | 0 | 0 | 0 | 104 | V215 V219 | V215-I217 HydrophobicContact CG1-CG1 4.43Å; V215-I217 PolarHBondContact O-N 3.29Å; I217-V219 PolarHBondContact O-N 3.12Å |
| 218 | P | 27.4 | Very low | 28.5 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | | | trans | -68.1 | 145.1 | -174.3 | -11.5 | 28.5 | 0 | 0 | 0 | 107.4 | D216 A220 | D216-P218 WeakPolarHBondContact O-CD 3.35Å; P218-A220 HydrophobicContact CB-CB 4.28Å; P218-A220 PolarHBondContact O-N 2.91Å |
| 219 | V | 27.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | -71.4 | 67.2 | 161.5 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | I217 F221 | I217-V219 PolarHBondContact O-N 3.12Å; V219-F221 WeakPolarHBondContact O-CD2 3.48Å; V219-F221 PolarHBondContact O-N 3.36Å |
| 220 | A | 30.5 | Very low | 28.2 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | | | trans | -72.9 | 112.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P218 M222 | P218-A220 HydrophobicContact CB-CB 4.28Å; P218-A220 PolarHBondContact O-N 2.91Å; A220-M222 VanDerWaalsContact C-N 3.28Å; A220-M222 PolarHBondContact O-N 3.22Å |
| 221 | F | 26.6 | Very low | 27.9 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | trans | -61 | 81.9 | -179.6 | -83.6 | -114.8 | 0 | 0 | 0 | 112.1 | V219 K223 | V219-F221 WeakPolarHBondContact O-CD2 3.48Å; V219-F221 PolarHBondContact O-N 3.36Å; F221-K223 PolarHBondContact O-N 2.9Å |
| 222 | M | 31 | Very low | 27.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | -76.2 | 61.1 | 158.7 | -80.2 | -64 | -73.9 | 0 | 0 | 110.4 | A220 | A220-M222 VanDerWaalsContact C-N 3.28Å; A220-M222 PolarHBondContact O-N 3.22Å |
| 223 | K | 31.2 | Very low | 27.5 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 21.5 | 112.7 | 145.3 | -167 | 174.7 | -172.4 | 174.9 | 0 | 115.7 | F221 Q225 | F221-K223 PolarHBondContact O-N 2.9Å; K223-Q225 PolarHBondContact O-N 2.85Å |
| 224 | K | 27.6 | Very low | 27.7 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -28.3 | 99.5 | 167.4 | -67.5 | -180 | 177.1 | 179.8 | 0 | 113 | N226 | K224-N226 VanDerWaalsContact C-N 3.28Å; K224-N226 PolarHBondContact O-N 3.11Å |
| 225 | Q | 30.6 | Very low | 27.7 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -77.1 | 93.6 | 147.5 | -84.6 | -163.9 | -15.9 | 0 | 0 | 106.7 | K223 F227 | K223-Q225 PolarHBondContact O-N 2.85Å; Q225-F227 PolarHBondContact O-N 2.77Å |
| 226 | N | 28.4 | Very low | 28 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | | | trans | -62.1 | 99.1 | 168.1 | -63.9 | -29.3 | 0 | 0 | 0 | 108 | K224 T228 | K224-N226 VanDerWaalsContact C-N 3.28Å; K224-N226 PolarHBondContact O-N 3.11Å; N226-T228 PolarHBondContact O-N 2.82Å; N226-T228 PolarHBondContact O-OG1 3.43Å |
| 227 | F | 25.4 | Very low | 28.2 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -67.7 | 79.1 | 154.7 | -91.5 | -80.2 | 0 | 0 | 0 | 107.7 | Q225 A229 | Q225-F227 PolarHBondContact O-N 2.77Å; F227-A229 PolarHBondContact O-N 2.89Å |
| 228 | T | 29 | Very low | 28.3 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 56% | 0.564 | 77% | 0.771 | S | S | * | * | | | trans | -67.1 | 124.8 | -179 | -54.1 | 0 | 0 | 0 | 0 | 107.3 | N226 R230 | N226-T228 PolarHBondContact O-N 2.82Å; N226-T228 PolarHBondContact O-OG1 3.43Å; T228-R230 HydrophobicContact CG2-CB 3.95Å; T228-R230 HydrophobicContact CG2-CG 3.9Å; T228-R230 PolarHBondContact O-N 2.93Å |
| 229 | A | 24.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -68.3 | 76.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F227 | F227-A229 PolarHBondContact O-N 2.89Š|
| 230 | R | 26.7 | Very low | 28.8 | Very low | 221 Ų | 221 | 147.6 Ų | 147.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -147 | 79.5 | -179.4 | -89.4 | -168.3 | 169.9 | -173.1 | -2.8 | 111.8 | T228 | T228-R230 HydrophobicContact CG2-CB 3.95Å; T228-R230 HydrophobicContact CG2-CG 3.9Å; T228-R230 PolarHBondContact O-N 2.93Å |
| 231 | S | 28.4 | Very low | 29.1 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -169.2 | 80.6 | 135.6 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | C233 | S231-C233 VanDerWaalsContact CB-SG 3.59Å; S231-C233 PolarHBondContact O-N 3.01Å |
| 232 | V | 26.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | -72.1 | 67.1 | 142.9 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | K234 | V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.09Å |
| 233 | C | 26 | Very low | 29.9 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | | | trans | -78 | 90.9 | 173.5 | -85.2 | 0 | 0 | 0 | 0 | 107.8 | S231 V235 | S231-C233 VanDerWaalsContact CB-SG 3.59Å; S231-C233 PolarHBondContact O-N 3.01Å; C233-V235 PolarHBondContact O-N 3.29Å |
| 234 | K | 31.2 | Very low | 29.9 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | | | trans | -45.3 | 135 | 152.7 | -68.4 | -179.8 | 173.9 | -179.8 | 0 | 107.8 | V232 I236 | V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.09Å; K234-I236 HydrophobicContact CB-CD1 4.06Å; K234-I236 HydrophobicContact CB-CG1 3.98Å; K234-I236 HydrophobicContact CD-CD1 3.99Å; K234-I236 PolarHBondContact O-N 2.64Å |
| 235 | V | 25.4 | Very low | 30.3 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -74.1 | 73.5 | 171 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | C233 | C233-V235 PolarHBondContact O-N 3.29Š|
| 236 | I | 32.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | -94.5 | 104.9 | 166.3 | -65.4 | 171.1 | 0 | 0 | 0 | 105.7 | K234 Q238 | K234-I236 HydrophobicContact CB-CD1 4.06Å; K234-I236 HydrophobicContact CB-CG1 3.98Å; K234-I236 HydrophobicContact CD-CD1 3.99Å; K234-I236 PolarHBondContact O-N 2.64Å; I236-Q238 PolarHBondContact O-N 2.96Å |
| 237 | K | 30 | Very low | 30.7 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -66.1 | 121.7 | 167 | -63.3 | 177.4 | 178.7 | -179.4 | 0 | 108.1 | | |
| 238 | Q | 29.2 | Very low | 31.2 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | -175.3 | 163.9 | 131.9 | -99.8 | -171.2 | -8.8 | 0 | 0 | 110.1 | I236 | I236-Q238 PolarHBondContact O-N 2.96Š|
| 239 | P | 31.4 | Very low | 31.3 | Very low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | trans | -112.1 | -164.9 | -142.4 | 43.7 | -39.4 | 0 | 0 | 0 | 115.2 | | |
| 240 | D | 33.1 | Very low | 31.6 | Very low | 118 Ų | 118 | 150 Ų | 150 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | trans | 105.5 | 136.7 | 145 | -89.6 | 19.3 | 0 | 0 | 0 | 121.5 | | |
| 241 | K | 36.5 | Very low | 31.9 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | | | trans | 90.3 | 148.8 | 146 | -75.5 | 162.6 | -179.6 | 115.2 | 0 | 119.6 | | |
| 242 | P | 40.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -139.1 | -172.2 | -130.5 | 43.5 | -25.4 | 0 | 0 | 0 | 115.1 | | |
| 243 | S | 34.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | | -178.3 | 131.4 | 129.2 | 33.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 244 | N | 30.7 | Very low | 33 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 31.5 | 128.6 | 139 | -52.2 | -7.2 | 0 | 0 | 0 | 122.3 | | |
| 245 | Y | 35.9 | Very low | 33.1 | Very low | 236 Ų | 236 | 147.3 Ų | 147.3 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | | -142.3 | 156.9 | 127.3 | -98.8 | -79.9 | 0 | 0 | 0 | 110.4 | | |
| 246 | L | 34.7 | Very low | 33.7 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | | | trans | -72.5 | 171.2 | 179.4 | -97.9 | 58.9 | 0 | 0 | 0 | 111.8 | | |
| 247 | E | 33.9 | Very low | 33.8 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | cis | -160.5 | 177.9 | 26.2 | -150.6 | -174.2 | -163.1 | 0 | 0 | 112.5 | | |
| 248 | K | 35.9 | Very low | 33.9 | Very low | 173 Ų | 173 | 148 Ų | 148 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | 72.9 | 91.2 | 165.7 | -63.4 | 170.1 | -173.9 | 171.3 | 0 | 115.8 | | |
| 249 | S | 29.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | | 79.5 | 105.2 | 66.5 | -64.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 250 | H | 32.6 | Very low | 34 | Very low | 190 Ų | 190 | 152 Ų | 152 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | | | | -171.5 | 148.9 | 114.3 | -90.2 | -63.2 | 0 | 0 | 0 | 110.7 | | |
| 251 | S | 31.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | 13.5 | 138.7 | 157.9 | -85.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 252 | T | 33.3 | Very low | 33.8 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | cis | -149.6 | 142.1 | 21.7 | 38.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 253 | K | 35.8 | Very low | 33.4 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 60 | 129.3 | 139.6 | -64.5 | 178.7 | 178.1 | -177.7 | 0 | 121.6 | | |
| 254 | T | 34.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | trans | 60.8 | 132.2 | 147.6 | 47.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 255 | D | 34.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | cis | -143.7 | 177.5 | 2.3 | -138.2 | -33.9 | 0 | 0 | 0 | 113.8 | | |
| 256 | K | 36.5 | Very low | 33.6 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -108.4 | -176.6 | -172.2 | -66 | 178.9 | 179.2 | 175.7 | 0 | 112.5 | | |
| 257 | H | 35 | Very low | 33.7 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | 76.5 | 109.9 | 178.3 | -54.6 | -87.5 | 0 | 0 | 0 | 112.8 | | |
| 258 | N | 32.7 | Very low | 34 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | 77.1 | 132.6 | 18.3 | -142 | 18.2 | 0 | 0 | 0 | 115 | | |
| 259 | W | 33 | Very low | 34.2 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | 77.6 | 100 | 174.2 | -93.7 | -78.7 | 0 | 0 | 0 | 122.1 | | |
| 260 | F | 29.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | | 65.4 | 159.7 | 129.9 | -87.2 | -118.5 | 0 | 0 | 0 | 122.5 | | |
| 261 | N | 30.9 | Very low | 34.8 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 67.7 | 125.7 | 171.8 | -72.7 | -30.7 | 0 | 0 | 0 | 115.1 | | |
| 262 | K | 33.5 | Very low | 35.1 | Very low | 175 Ų | 175 | 143 Ų | 143 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | | 87.8 | 123 | 57.5 | -89.6 | -165.5 | 175.3 | -173.3 | 0 | 113 | | |
| 263 | N | 32.7 | Very low | 35 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 75.8 | 155.1 | 161.3 | -46.8 | -7.9 | 0 | 0 | 0 | 116.4 | | |
| 264 | G | 33.8 | Very low | 34.9 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | 86.5 | 119.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 265 | L | 36.3 | Very low | 34.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | cis | 67.7 | 144.5 | 25.6 | -58.3 | 174.1 | 0 | 0 | 0 | 115.1 | | |
| 266 | D | 35 | Very low | 34.6 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 63.7 | 131.7 | -170.9 | -54.3 | -11.5 | 0 | 0 | 0 | 114.7 | | |
| 267 | S | 37.7 | Very low | 34.4 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | cis | -152.1 | 155.9 | -3.8 | -113.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 268 | D | 39.5 | Very low | 34.1 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | 25.9 | 132.2 | 137.8 | -43 | -56.2 | 0 | 0 | 0 | 118.8 | | |
| 269 | D | 40.3 | Very low | 34.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | | -143.5 | 170.1 | 63.1 | -154.8 | -17.4 | 0 | 0 | 0 | 114.6 | | |
| 270 | S | 38.2 | Very low | 34 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -49.8 | 142.6 | -171 | 50.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 271 | G | 37.4 | Very low | 34 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | -179.6 | 56.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 272 | Q | 36.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -40.9 | 127.2 | -165.3 | -65.5 | -174.1 | 5.6 | 0 | 0 | 117.7 | | |
| 273 | Q | 31.2 | Very low | 33.7 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | | 47.9 | 137 | 118.4 | -57 | 176.4 | 0.8 | 0 | 0 | 118.7 | | |
| 274 | T | 33.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | cis | -134.3 | 139.6 | 37.5 | -35.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 275 | P | 30.9 | Very low | 33.4 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | -92.6 | -156.9 | 171.1 | 39.1 | -35.6 | 0 | 0 | 0 | 112.1 | | |
| 276 | V | 31.8 | Very low | 32.9 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 82.9 | 128.2 | -179.2 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 277 | N | 32.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | cis | -114.1 | 150.4 | 8.5 | -98.7 | -43.3 | 0 | 0 | 0 | 113.6 | | |
| 278 | F | 28.4 | Very low | 32.4 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | | | trans | -103.3 | 131 | 154.8 | -115.2 | -88.2 | 0 | 0 | 0 | 107.3 | P280 | F278-P280 HydrophobicContact CD1-CG 4.23Š|
| 279 | E | 32.4 | Very low | 32 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | -128.8 | 98.3 | 161.9 | -171 | 175.9 | -115.7 | 0 | 0 | 110.5 | | |
| 280 | P | 31 | Very low | 31.4 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -110 | 74.8 | 170.4 | 37 | -26.5 | 0 | 0 | 0 | 110.4 | F278 | F278-P280 HydrophobicContact CD1-CG 4.23Š|
| 281 | G | 29.8 | Very low | 31.2 | Very low | 46 Ų | 46 | 138 Ų | 138 | 47% | 0.474 | 76% | 0.761 | S | S | . | * | | | trans | -179.9 | 135.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 282 | L | 28 | Very low | 30.8 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | | | trans | 69.7 | 141.9 | 163.8 | -48.3 | 169.4 | 0 | 0 | 0 | 114.1 | | |
| 283 | Q | 31.2 | Very low | 30.5 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | | | cis | -130.4 | 164.1 | 27.3 | -61.5 | 179.9 | 11 | 0 | 0 | 114.9 | | |
| 284 | T | 26.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | | | trans | -79.9 | 117.6 | -178.2 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | V286 | T284-V286 HydrophobicContact CG2-CB 4.18Å; T284-V286 HydrophobicContact CG2-CG2 3.53Å |
| 285 | A | 32.1 | Very low | 30.4 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | -157.6 | 106.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 286 | V | 25.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 145 Ų | 145 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | | | cis | 61.9 | 114 | 28.6 | -178.6 | 0 | 0 | 0 | 0 | 112 | T284 | T284-V286 HydrophobicContact CG2-CB 4.18Å; T284-V286 HydrophobicContact CG2-CG2 3.53Å |
| 287 | L | 28.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | trans | 72.4 | 134.3 | -176.2 | -57.6 | 160.4 | 0 | 0 | 0 | 113.2 | | |
| 288 | K | 34.7 | Very low | 30.5 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | cis | -138.2 | 152.9 | 16.7 | -68.3 | -179.7 | -179.7 | 177.4 | 0 | 114 | | |
| 289 | S | 31.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | -6.8 | 125.4 | 151.5 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 290 | E | 27.9 | Very low | 30.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | | 64.5 | 120.4 | 72.8 | -177.1 | -179.3 | -154.1 | 0 | 0 | 113.4 | H292 | E290-H292 HydrophobicContact CG-CB 4.16Š|
| 291 | K | 33.5 | Very low | 30.7 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | | | trans | -133.9 | 53.8 | 156.4 | -78.2 | -162.6 | 174.9 | -176.7 | 0 | 110.6 | Y293 | K291-Y293 PolarHBondContact O-N 3.49Š|
| 292 | H | 28.8 | Very low | 30.7 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 60% | 0.602 | 77% | 0.769 | S | S | * | * | | | trans | -65.1 | 117.7 | 147.5 | -95.8 | -106.4 | 0 | 0 | 0 | 107.2 | E290 Q294 | E290-H292 HydrophobicContact CG-CB 4.16Å; H292-Q294 HydrophobicContact CB-CB 4.48Å; H292-Q294 PolarHBondContact ND1-OE1 3.03Å; H292-Q294 PolarHBondContact O-N 3.21Å; H292-Q294 VanDerWaalsContact O-N 3.1Å |
| 293 | Y | 29.7 | Very low | 30.8 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -83.1 | 57.3 | 161.5 | -93 | -73.7 | 0 | 0 | 0 | 109.8 | K291 L295 | K291-Y293 PolarHBondContact O-N 3.49Å; Y293-L295 PolarHBondContact O-N 3.38Å |
| 294 | Q | 31.3 | Very low | 30.8 | Very low | 139 Ų | 139 | 139 Ų | 139 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | -83.2 | 92.3 | 159.7 | -123.9 | 84.7 | 23.3 | 0 | 0 | 106.7 | H292 E296 | H292-Q294 HydrophobicContact CB-CB 4.48Å; H292-Q294 PolarHBondContact ND1-OE1 3.03Å; H292-Q294 PolarHBondContact O-N 3.21Å; H292-Q294 VanDerWaalsContact O-N 3.1Å; Q294-E296 PolarHBondContact O-N 2.75Å |
| 295 | L | 32.6 | Very low | 31 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -79.8 | 71.9 | 169.3 | -90.4 | 168 | 0 | 0 | 0 | 109.7 | Y293 K297 | Y293-L295 PolarHBondContact O-N 3.38Å; L295-K297 PolarHBondContact O-N 3.16Å |
| 296 | E | 31.8 | Very low | 30.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -84.6 | 78.4 | 173.2 | -172.7 | 178.9 | -166.3 | 0 | 0 | 110.3 | Q294 | Q294-E296 PolarHBondContact O-N 2.75Š|
| 297 | K | 34.5 | Very low | 30.9 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | | | trans | -149.6 | 90.1 | 165.5 | -73.8 | -156.4 | 175.1 | -166.9 | 0 | 111.8 | L295 | L295-K297 PolarHBondContact O-N 3.16Š|
| 298 | D | 31.6 | Very low | 31 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | 175.2 | 100.8 | 116 | -89.1 | -8.1 | 0 | 0 | 0 | 111.1 | | |
| 299 | P | 30.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | | | trans | -96.9 | 88.2 | 171.5 | 34.9 | -28.8 | 0 | 0 | 0 | 111 | | |
| 300 | G | 30.9 | Very low | 30.8 | Very low | 54 Ų | 54 | 138.5 Ų | 138.5 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | | | trans | 147.9 | 156.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 301 | N | 32.5 | Very low | 30.8 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | | | trans | 65.3 | 117.2 | -171.1 | -49.2 | -34.7 | 0 | 0 | 0 | 112.8 | | |
| 302 | S | 31.1 | Very low | 30.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | cis | -140.8 | 156.6 | 14.2 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 303 | V | 29.8 | Very low | 31.1 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -131.5 | 160.8 | -176.7 | 164.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 304 | P | 32.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | | | cis | -123.6 | -169.1 | -4.7 | 37.5 | -19.9 | 0 | 0 | 0 | 113.5 | | |
| 305 | I | 30.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | | -170 | 101.7 | 123 | -91.2 | 150.2 | 0 | 0 | 0 | 105.4 | | |
| 306 | L | 28.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | | 55.3 | 114.8 | 90.7 | -59.6 | 175.9 | 0 | 0 | 0 | 111.8 | | |
| 307 | S | 27.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | cis | -148.1 | 176.3 | 18.5 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 308 | S | 30.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -155.5 | 130.8 | 26.7 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 309 | T | 28 | Very low | 32.5 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 28 | 110.3 | 142.3 | 58 | 0 | 0 | 0 | 0 | 122.4 | | |
| 310 | S | 32.2 | Very low | 32.8 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | | 157.5 | 109.7 | 114 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 311 | T | 28.6 | Very low | 32.8 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | | 65.5 | 94.6 | 61.9 | 69.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 312 | L | 33.6 | Very low | 32.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | | -158.7 | 159.9 | 116.1 | -157.5 | 56.2 | 0 | 0 | 0 | 111.1 | | |
| 313 | D | 35.2 | Very low | 33.2 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -101.9 | -174.8 | -161.1 | -61.4 | -82.4 | 0 | 0 | 0 | 116.3 | | |
| 314 | N | 36 | Very low | 33.4 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | 89.3 | 101.3 | 155.1 | -65.8 | -38 | 0 | 0 | 0 | 119.5 | | |
| 315 | N | 31.6 | Very low | 33.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -58.2 | 133 | 144 | -52.6 | -77.6 | 0 | 0 | 0 | 110 | | |
| 316 | Q | 41 | Very low | 33.7 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | | -178.4 | 126.4 | 123.1 | -100.4 | 167.5 | 20.6 | 0 | 0 | 115 | | |
| 317 | S | 34.6 | Very low | 34 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 77.7 | 145.9 | 145.6 | 83.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 318 | S | 37.6 | Very low | 34.2 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | 69.2 | 88.4 | 142.2 | -158.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 319 | K | 39.9 | Very low | 34.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | | 63.4 | 113.9 | 121.9 | -70.4 | -171.9 | 174.3 | -175 | 0 | 121.6 | | |
| 320 | D | 38.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | | 82.5 | 131.8 | 120.6 | -56.8 | -27.8 | 0 | 0 | 0 | 121.8 | | |
| 321 | C | 29.7 | Very low | 34.8 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | 82.5 | 88.1 | 154.7 | -70.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 322 | K | 35.3 | Very low | 34.8 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 78.7 | 149.7 | 133.7 | -59.6 | -178.3 | 178 | -178.8 | 0 | 119.2 | | |
| 323 | T | 37 | Very low | 34.7 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 62.1 | 142.2 | 156.5 | 36.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 324 | E | 33.2 | Very low | 34.4 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | cis | -156.3 | 165.1 | -13.4 | -164 | 160.7 | 163.9 | 0 | 0 | 106.8 | | |
| 325 | T | 33.2 | Very low | 34.3 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | 22.1 | 134.9 | 163.9 | 51.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 326 | Q | 36 | Very low | 34.3 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | 147.9 | 137.3 | 105.4 | -163.7 | 134.9 | 14.5 | 0 | 0 | 114.1 | | |
| 327 | N | 34.9 | Very low | 33.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | trans | 65.7 | 130.9 | 159.8 | -68.4 | -6.4 | 0 | 0 | 0 | 121.1 | | |
| 328 | H | 32.8 | Very low | 34 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | 31.9 | 115 | 140.5 | -66.7 | -90.9 | 0 | 0 | 0 | 119.9 | | |
| 329 | L | 35.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | | | | -159.3 | 145.8 | 113.7 | -107.4 | 163.2 | 0 | 0 | 0 | 110.9 | | |
| 330 | D | 31.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -72.9 | 144.5 | -170.8 | -54 | -91.8 | 0 | 0 | 0 | 113.8 | | |
| 331 | K | 34.7 | Very low | 33.1 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -156.9 | 91.9 | 151.3 | -109 | 136.4 | -166.8 | 172.9 | 0 | 113.9 | | |
| 332 | I | 30 | Very low | 33.4 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 48.3 | 99.2 | 139.9 | -52.8 | 175.4 | 0 | 0 | 0 | 115.9 | | |
| 333 | V | 29.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 148 Ų | 148 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | trans | -75.7 | 127.3 | 165.4 | 172.5 | 0 | 0 | 0 | 0 | 110 | V335 | V333-V335 HydrophobicContact CG1-CB 4.01Å; V333-V335 HydrophobicContact CG1-CG2 3.51Å |
| 334 | M | 29.9 | Very low | 32.9 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -101.9 | 93.1 | 157.5 | -83.2 | -166.1 | 69.3 | 0 | 0 | 109.7 | | |
| 335 | V | 33 | Very low | 32.9 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 136.5 | 168.5 | 147.3 | 0 | 0 | 0 | 0 | 108.7 | V333 | V333-V335 HydrophobicContact CG1-CB 4.01Å; V333-V335 HydrophobicContact CG1-CG2 3.51Å |
| 336 | P | 32.8 | Very low | 32.7 | Very low | 105 Ų | 105 | 158.5 Ų | 158.5 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.5 | 171.7 | 28.5 | -34.6 | 0 | 0 | 0 | 109.8 | Q338 | P336-Q338 PolarHBondContact O-N 2.79Å; P336-Q338 VanDerWaalsContact O-N 3.16Å |
| 337 | P | 32.8 | Very low | 32.4 | Very low | 127 Ų | 127 | 156.5 Ų | 156.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 120.7 | -171.2 | 23.7 | -34 | 0 | 0 | 0 | 111.8 | | |
| 338 | Q | 34.9 | Very low | 32.4 | Very low | 169 Ų | 169 | 158.8 Ų | 158.8 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 134 | 164 | -70.2 | -173.6 | -25.8 | 0 | 0 | 108.8 | P336 | P336-Q338 PolarHBondContact O-N 2.79Å; P336-Q338 VanDerWaalsContact O-N 3.16Å |
| 339 | P | 35.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 159 Ų | 159 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 138.7 | 167.2 | 30 | -33 | 0 | 0 | 0 | 110.2 | | |
| 340 | D | 33 | Very low | 32.3 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 136.1 | -168.1 | -64.7 | -77.1 | 0 | 0 | 0 | 115.3 | L342 | D340-L342 PolarHBondContact O-N 2.99Š|
| 341 | I | 29.6 | Very low | 32.3 | Very low | 164 Ų | 164 | 157.7 Ų | 157.7 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | -86.7 | 79.4 | 167.2 | -55.3 | 177.5 | 0 | 0 | 0 | 109.1 | | |
| 342 | L | 34.9 | Very low | 32.1 | Very low | 149 Ų | 149 | 153.2 Ų | 153.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -118.3 | 86.9 | 169.9 | -75.8 | 179.3 | 0 | 0 | 0 | 112.7 | D340 | D340-L342 PolarHBondContact O-N 2.99Š|
| 343 | R | 30.7 | Very low | 32.1 | Very low | 220 Ų | 220 | 153.5 Ų | 153.5 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | 14.2 | 121.1 | 144.5 | -54.7 | 175.5 | -176.8 | -134.4 | 0.9 | 117.4 | | |
| 344 | F | 31.8 | Very low | 32.2 | Very low | 211 Ų | 211 | 154.1 Ų | 154.1 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | | -152.3 | 150.2 | 122.8 | -109.5 | -70.4 | 0 | 0 | 0 | 111.2 | | |
| 345 | E | 32 | Very low | 32.1 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -90.3 | 141.1 | -171.3 | -57.7 | 168.8 | 101.1 | 0 | 0 | 113.3 | | |
| 346 | R | 29.8 | Very low | 32 | Very low | 234 Ų | 234 | 152.4 Ų | 152.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | | 178.3 | 113.6 | 124.2 | -100.5 | 167.9 | -176.4 | 167 | 4.1 | 113.4 | | |
| 347 | P | 28.9 | Very low | 32 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -104.6 | 102.3 | 171.1 | 34.8 | -27.3 | 0 | 0 | 0 | 112.8 | | |
| 348 | H | 35.5 | Very low | 31.9 | Very low | 173 Ų | 173 | 157.4 Ų | 157.4 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | | | trans | -152.2 | 131.6 | 174.8 | -84.4 | -17.2 | 0 | 0 | 0 | 109.6 | | |
| 349 | K | 32.5 | Very low | 32.1 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | cis | -140.4 | 157.1 | -7 | -69.9 | 176.1 | 177.4 | 174.7 | 0 | 108.7 | | |
| 350 | P | 33.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 159.5 Ų | 159.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -70.5 | 142.6 | 154.7 | 31.7 | -32.5 | 0 | 0 | 0 | 110.2 | V352 | P350-V352 VanDerWaalsContact C-N 3.35Å; P350-V352 HydrophobicContact CG-CG2 4.37Å; P350-V352 PolarHBondContact O-N 2.83Å |
| 351 | N | 32.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -74.7 | 84.6 | 174.1 | -80.1 | -14.5 | 0 | 0 | 0 | 110.8 | I353 | N351-I353 PolarHBondContact O-N 3.03Š|
| 352 | V | 31.3 | Very low | 32.3 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -84.5 | 106.4 | 166.2 | -170.8 | 0 | 0 | 0 | 0 | 108.2 | P350 I354 | P350-V352 VanDerWaalsContact C-N 3.35Å; P350-V352 HydrophobicContact CG-CG2 4.37Å; P350-V352 PolarHBondContact O-N 2.83Å; V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 HydrophobicContact CG1-CD1 4.34Å; V352-I354 HydrophobicContact CG1-CG1 3.7Å; V352-I354 PolarHBondContact O-N 3.27Å |
| 353 | I | 30.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | | | trans | -75.6 | 91.4 | 169.7 | -57.8 | 175.1 | 0 | 0 | 0 | 107.3 | N351 A355 | N351-I353 PolarHBondContact O-N 3.03Å; I353-A355 PolarHBondContact O-N 2.99Å |
| 354 | I | 30.8 | Very low | 32.3 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | -86.2 | 99.8 | 164 | -53.5 | -176.6 | 0 | 0 | 0 | 106.6 | V352 D356 | V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 HydrophobicContact CG1-CD1 4.34Å; V352-I354 HydrophobicContact CG1-CG1 3.7Å; V352-I354 PolarHBondContact O-N 3.27Å; I354-D356 HydrophobicContact CG2-CB 4.22Å; I354-D356 PolarHBondContact O-N 3.03Å |
| 355 | A | 28.9 | Very low | 32.3 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -81 | 100 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | I353 | I353-A355 PolarHBondContact O-N 2.99Š|
| 356 | D | 31.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -105.2 | 139.9 | 165.8 | -155 | -3 | 0 | 0 | 0 | 108.8 | I354 | I354-D356 HydrophobicContact CG2-CB 4.22Å; I354-D356 PolarHBondContact O-N 3.03Å |
| 357 | E | 31.5 | Very low | 32.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | | | trans | -117.3 | 145.2 | -166.1 | -165.7 | -164.5 | -121.6 | 0 | 0 | 109.4 | | |
| 358 | R | 31.8 | Very low | 33.1 | Very low | 205 Ų | 205 | 145 Ų | 145 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | 79.7 | 123.8 | 177.9 | -43.4 | 131.2 | -162.3 | -146.8 | -1.6 | 114.9 | | |
| 359 | L | 37.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | | -161.2 | 152.3 | 90.9 | -100.4 | 165.3 | 0 | 0 | 0 | 111.2 | | |
| 360 | N | 36.5 | Very low | 33.2 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -90.7 | 152.3 | 179.6 | -53.7 | -30.7 | 0 | 0 | 0 | 110.1 | | |
| 361 | G | 34.8 | Very low | 33.2 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | 171.9 | 117.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 362 | E | 31.3 | Very low | 33.2 | Very low | 204 Ų | 204 | 142 Ų | 142 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | | | trans | -55.9 | 152.5 | -175.6 | -61.2 | 160.8 | 106.8 | 0 | 0 | 115.6 | | |
| 363 | G | 33.3 | Very low | 33.2 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -159.2 | 28.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 364 | V | 33.6 | Very low | 33.3 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | 48.6 | 122.2 | 163.9 | -173.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 365 | V | 32.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | | | trans | -82.6 | 142.9 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 366 | T | 36.2 | Very low | 33.3 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -126 | 120.5 | 153.7 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 367 | E | 32.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 64% | 0.64 | 80% | 0.8 | S | S | * | * | | | trans | -89.6 | 147.3 | -171.6 | -174.3 | -178.6 | 167.8 | 0 | 0 | 112.5 | Q369 | E367-Q369 HydrophobicContact CG-CG 4.06Å; E367-Q369 WeakPolarHBondContact OE1-CG 3.32Å; E367-Q369 PolarHBondContact OE1-NE2 2.99Å |
| 368 | K | 37 | Very low | 33.3 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | | | trans | -134.1 | 118.4 | 156.7 | -93.4 | -166.3 | 172.8 | -175 | 0 | 109.6 | | |
| 369 | Q | 36.7 | Very low | 33.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | | | trans | -83.4 | 144.3 | -175.5 | -66.3 | 172.5 | -16.6 | 0 | 0 | 112.3 | E367 | E367-Q369 HydrophobicContact CG-CG 4.06Å; E367-Q369 WeakPolarHBondContact OE1-CG 3.32Å; E367-Q369 PolarHBondContact OE1-NE2 2.99Å |
| 370 | S | 34.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | | | trans | -144.5 | 133.4 | 145.5 | 52 | 0 | 0 | 0 | 0 | 108 | | |
| 371 | E | 33.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -125.2 | 130.9 | -152.7 | -178.9 | -176.3 | -160.3 | 0 | 0 | 112.7 | | |
| 372 | A | 30.7 | Very low | 32.6 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -165.6 | 93.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 373 | A | 32.5 | Very low | 32.5 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | | 62.5 | 81.1 | 86.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 374 | L | 31.1 | Very low | 32.4 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | 77.2 | 103.3 | 87.1 | -76 | 171.9 | 0 | 0 | 0 | 115.8 | | |
| 375 | S | 30.8 | Very low | 32.2 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | | -166.7 | 140 | 127.1 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 376 | S | 28.9 | Very low | 32.1 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | -95.2 | 160.1 | -176.6 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 377 | P | 33.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | | -120 | 121.1 | 128.4 | 33.1 | -29.9 | 0 | 0 | 0 | 111.5 | Q379 | P377-Q379 PolarHBondContact O-N 2.94Š|
| 378 | N | 29.3 | Very low | 31.7 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -69.2 | 108.1 | 163.3 | -83 | -38.4 | 0 | 0 | 0 | 109.3 | | |
| 379 | Q | 34 | Very low | 31.3 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -154.9 | 89.2 | 157.6 | -122.5 | 153.9 | 104.2 | 0 | 0 | 113 | P377 F381 | P377-Q379 PolarHBondContact O-N 2.94Å; Q379-F381 WeakPolarHBondContact O-CD2 3.29Å; Q379-F381 PolarHBondContact O-N 2.88Å; Q379-F381 VanDerWaalsContact O-N 3.08Å |
| 380 | L | 28.7 | Very low | 30.9 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | 3.4 | 88.7 | 140.6 | -167.3 | 94.8 | 0 | 0 | 0 | 116.2 | | |
| 381 | F | 33.7 | Very low | 30.7 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | trans | -113.4 | 118.6 | 160.2 | -88 | -79.8 | 0 | 0 | 0 | 110.4 | Q379 M383 | Q379-F381 WeakPolarHBondContact O-CD2 3.29Å; Q379-F381 PolarHBondContact O-N 2.88Å; Q379-F381 VanDerWaalsContact O-N 3.08Å; F381-M383 PolarHBondContact O-N 3.46Å |
| 382 | H | 30.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -60.5 | 106 | 172.7 | -95.1 | -84 | 0 | 0 | 0 | 110 | Q384 | H382-Q384 VanDerWaalsContact C-N 3.32Å; H382-Q384 HydrophobicContact CB-CG 4.2Å; H382-Q384 PolarHBondContact O-N 3.44Å; H382-Q384 VanDerWaalsContact O-N 3.09Å |
| 383 | M | 29.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | -73.7 | 95.7 | 153.8 | -166.5 | 170.3 | 74.4 | 0 | 0 | 106.9 | F381 I385 | F381-M383 PolarHBondContact O-N 3.46Å; M383-I385 HydrophobicContact CE-CD1 4.18Å; M383-I385 HydrophobicContact CE-CG1 4.28Å; M383-I385 PolarHBondContact O-N 2.86Å |
| 384 | Q | 30.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -68.5 | 82 | 178.3 | -73.2 | -173.2 | -91.5 | 0 | 0 | 110.8 | H382 S386 | H382-Q384 VanDerWaalsContact C-N 3.32Å; H382-Q384 HydrophobicContact CB-CG 4.2Å; H382-Q384 PolarHBondContact O-N 3.44Å; H382-Q384 VanDerWaalsContact O-N 3.09Å; Q384-S386 PolarHBondContact O-N 2.89Å |
| 385 | I | 29 | Very low | 30.8 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 83.8 | 148.3 | -50.4 | 173.7 | 0 | 0 | 0 | 105.2 | M383 S387 | M383-I385 HydrophobicContact CE-CD1 4.18Å; M383-I385 HydrophobicContact CE-CG1 4.28Å; M383-I385 PolarHBondContact O-N 2.86Å; I385-S387 PolarHBondContact O-N 3.25Å |
| 386 | S | 30.3 | Very low | 30.8 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 53% | 0.531 | 73% | 0.728 | S | S | . | * | | | trans | -71.5 | 73.7 | 174.1 | -78.9 | 0 | 0 | 0 | 0 | 109.9 | Q384 D388 | Q384-S386 PolarHBondContact O-N 2.89Å; S386-D388 PolarHBondContact O-N 3.43Å |
| 387 | S | 29.6 | Very low | 31.2 | Very low | 85 Ų | 85 | 147.2 Ų | 147.2 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | | | trans | -67.9 | 75.1 | 156.4 | 57.3 | 0 | 0 | 0 | 0 | 108.3 | I385 F389 | I385-S387 PolarHBondContact O-N 3.25Å; S387-F389 PolarHBondContact O-N 2.88Å |
| 388 | D | 30.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 84.2 | 172.2 | -82.9 | -17.4 | 0 | 0 | 0 | 109.2 | S386 | S386-D388 PolarHBondContact O-N 3.43Š|
| 389 | F | 28.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -51 | 149.4 | 164.2 | -102.2 | -107.7 | 0 | 0 | 0 | 110.3 | S387 | S387-F389 PolarHBondContact O-N 2.88Š|
| 390 | S | 28.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | trans | 60.1 | 59.8 | 153.1 | 60.8 | 0 | 0 | 0 | 0 | 118 | | |
| 391 | R | 30.7 | Very low | 31.8 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | trans | -136.9 | 63.9 | 140.2 | -117.1 | -178.2 | -152.6 | -114.2 | 5.8 | 113.9 | E393 | R391-E393 IonicContact CZ-OE2 2.64Å; R391-E393 IonicContact NH1-OE1 2.67Å; R391-E393 IonicContact NH1-OE2 3.4Å; R391-E393 PolarHBondContact NH1-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.32Å |
| 392 | T | 30.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | | | trans | -69.4 | 65.5 | 158.1 | -32.6 | 0 | 0 | 0 | 0 | 109.5 | R394 | T392-R394 HydrophobicContact CG2-CG 4.48Å; T392-R394 PolarHBondContact O-N 2.93Å |
| 393 | E | 32.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | | | trans | -71.7 | 81.3 | 178.5 | -170 | 148.4 | -169.5 | 0 | 0 | 109 | R391 L395 | R391-E393 IonicContact CZ-OE2 2.64Å; R391-E393 IonicContact NH1-OE1 2.67Å; R391-E393 IonicContact NH1-OE2 3.4Å; R391-E393 PolarHBondContact NH1-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.32Å; E393-L395 PolarHBondContact O-N 2.89Å |
| 394 | R | 31.6 | Very low | 31.9 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | | | trans | -61.3 | 88.8 | 168.6 | -67.9 | 173.6 | 75.6 | 168.1 | 6.3 | 107 | T392 R396 | T392-R394 HydrophobicContact CG2-CG 4.48Å; T392-R394 PolarHBondContact O-N 2.93Å; R394-R396 PolarHBondContact O-N 3.27Å |
| 395 | L | 35.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | trans | -60.1 | 85.6 | 165.2 | -79 | 176.8 | 0 | 0 | 0 | 108.2 | E393 I397 | E393-L395 PolarHBondContact O-N 2.89Å; L395-I397 HydrophobicContact CB-CG1 4.37Å; L395-I397 PolarHBondContact O-N 3.02Å |
| 396 | R | 31.4 | Very low | 32 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | -69 | 55.1 | 162 | -70.6 | -174.6 | 172.5 | 119.3 | -14.7 | 109.1 | R394 K398 | R394-R396 PolarHBondContact O-N 3.27Å; R396-K398 VanDerWaalsContact C-N 3.31Å; R396-K398 PolarHBondContact O-N 3.07Å |
| 397 | I | 36.8 | Very low | 32 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | | | trans | -67.9 | 104.5 | 157.7 | -62.3 | 178.9 | 0 | 0 | 0 | 104 | L395 S399 | L395-I397 HydrophobicContact CB-CG1 4.37Å; L395-I397 PolarHBondContact O-N 3.02Å; I397-S399 PolarHBondContact O-N 3.46Å |
| 398 | K | 34.9 | Very low | 32.2 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | | | trans | -57.5 | 111.5 | -177.5 | -57.8 | 165.4 | -175.8 | 173.3 | 0 | 107.3 | R396 P400 | R396-K398 VanDerWaalsContact C-N 3.31Å; R396-K398 PolarHBondContact O-N 3.07Å; K398-P400 WeakPolarHBondContact O-CD 3.39Å |
| 399 | S | 32 | Very low | 32.3 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -64.4 | 115.5 | 161.2 | 39.7 | 0 | 0 | 0 | 0 | 107.1 | I397 S401 | I397-S399 PolarHBondContact O-N 3.46Å; S399-S401 PolarHBondContact O-N 2.74Å; S399-S401 VanDerWaalsContact O-N 3.15Å |
| 400 | P | 37.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -75.5 | 105.9 | 170.8 | -1.5 | 20.7 | 0 | 0 | 0 | 105.8 | K398 P402 | K398-P400 WeakPolarHBondContact O-CD 3.39Å; P400-P402 WeakPolarHBondContact O-CD 3.34Å |
| 401 | S | 32.6 | Very low | 32.5 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | | | trans | -54.6 | 123 | 165.5 | -58.7 | 0 | 0 | 0 | 0 | 107.8 | S399 S403 | S399-S401 PolarHBondContact O-N 2.74Å; S399-S401 VanDerWaalsContact O-N 3.15Å; S401-S403 PolarHBondContact O-N 2.97Å |
| 402 | P | 34.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -76.8 | 60.6 | 178.8 | 31.9 | -35 | 0 | 0 | 0 | 110.5 | P400 Y404 | P400-P402 WeakPolarHBondContact O-CD 3.34Å; P402-Y404 PolarHBondContact O-N 2.94Å |
| 403 | S | 30.2 | Very low | 32.8 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | -78.5 | 60.4 | 177.6 | -61 | 0 | 0 | 0 | 0 | 110.8 | S401 S405 | S401-S403 PolarHBondContact O-N 2.97Å; S403-S405 VanDerWaalsContact C-N 3.25Å; S403-S405 PolarHBondContact O-N 2.99Å |
| 404 | Y | 31.3 | Very low | 32.9 | Very low | 206 Ų | 206 | 128.6 Ų | 128.6 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | -75.6 | 76.5 | 174.2 | -92.2 | -80 | 0 | 0 | 0 | 111.4 | P402 S406 | P402-Y404 PolarHBondContact O-N 2.94Å; Y404-S406 PolarHBondContact O-N 3.21Å |
| 405 | S | 29.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -82.2 | 79.8 | 161.4 | -64.7 | 0 | 0 | 0 | 0 | 110 | S403 | S403-S405 VanDerWaalsContact C-N 3.25Å; S403-S405 PolarHBondContact O-N 2.99Å |
| 406 | S | 32.3 | Very low | 33.2 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | -101.7 | 84.2 | 170.8 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | Y404 V408 | Y404-S406 PolarHBondContact O-N 3.21Å; S406-V408 PolarHBondContact O-N 3.23Å |
| 407 | S | 30.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -70.3 | 105.5 | 167.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 408 | V | 34.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -131 | 110.1 | 163.3 | -172.9 | 0 | 0 | 0 | 0 | 106.6 | S406 | S406-V408 PolarHBondContact O-N 3.23Š|
| 409 | G | 31.2 | Very low | 33.7 | Very low | 69 Ų | 69 | 121.8 Ų | 121.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -93.5 | 150.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 410 | S | 31.8 | Very low | 34 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 92% | 0.923 | 76% | 0.763 | S | S | * | * | | | trans | -137.8 | 144.1 | 154.1 | -83.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 411 | S | 29.9 | Very low | 34 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -114 | -173.4 | -168.7 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 412 | A | 33.9 | Very low | 34.3 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 74.2 | 138.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 413 | N | 34.6 | Very low | 34.3 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | cis | -159.4 | 161.4 | -0.2 | -110.1 | -16.7 | 0 | 0 | 0 | 108.5 | | |
| 414 | S | 34.1 | Very low | 34.8 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | | | cis | -162.4 | -163.2 | -9.9 | -167.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 415 | F | 36 | Very low | 35.2 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | 68.2 | 100.2 | 174.1 | -55.1 | -78.1 | 0 | 0 | 0 | 115.2 | | |
| 416 | Q | 37.9 | Very low | 35.5 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | | 70 | 130.1 | 86 | -70.1 | 173.8 | -5.1 | 0 | 0 | 113.2 | | |
| 417 | S | 36.1 | Very low | 35.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | -156.9 | 138.4 | 9.6 | 18.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 418 | I | 37.4 | Very low | 36.2 | Very low | 151 Ų | 151 | 133 Ų | 133 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | | 72.5 | 133.1 | 73.1 | -74.8 | 170.7 | 0 | 0 | 0 | 113.4 | | |
| 419 | P | 38.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | cis | -140.5 | -133.9 | -16.8 | 44.8 | -21.7 | 0 | 0 | 0 | 114.5 | | |
| 420 | P | 38 | Very low | 36.5 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -133.7 | -152.5 | -134.8 | 40.3 | -13.2 | 0 | 0 | 0 | 117.6 | | |
| 421 | R | 38.7 | Very low | 36.9 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -115.1 | 156.1 | -164.3 | -178.8 | -164.3 | -169.3 | -164.1 | 8.3 | 114 | | |
| 422 | P | 39.4 | Very low | 37.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -138.3 | -166 | 144.3 | 40.4 | -26.7 | 0 | 0 | 0 | 113.5 | | |
| 423 | E | 34.4 | Very low | 37.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | | -156.2 | -163.2 | -87.6 | -147.6 | 170.9 | -125.9 | 0 | 0 | 110.1 | | |
| 424 | Y | 39.6 | Very low | 37.3 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | trans | 78.3 | 148.4 | 173.4 | -41.8 | -45.6 | 0 | 0 | 0 | 118.3 | | |
| 425 | H | 39.9 | Very low | 37.2 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | cis | -169.6 | 157.5 | -22.2 | -101.6 | -26.2 | 0 | 0 | 0 | 113.8 | | |
| 426 | S | 36.5 | Very low | 37.4 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 83.4 | 164.9 | 149.6 | -63.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 427 | S | 32.3 | Very low | 37.2 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -147 | 173.4 | -155.4 | -52.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 428 | P | 44.3 | Very low | 37.3 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -111.9 | 178 | -156.5 | 42.8 | -37.8 | 0 | 0 | 0 | 118.9 | | |
| 429 | T | 37.4 | Very low | 37.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -174.4 | 162.6 | 176.1 | -84.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 430 | S | 35.8 | Very low | 37.2 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | | -166.5 | -165.1 | -51.9 | 74.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 431 | Q | 39 | Very low | 37.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | 76.6 | 157.5 | 168.6 | -59.7 | -145.2 | 43.5 | 0 | 0 | 119.2 | | |
| 432 | T | 36.7 | Very low | 36.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | cis | -161.6 | 161.3 | -21.5 | -89.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 433 | K | 35.6 | Very low | 36.7 | Very low | 187 Ų | 187 | 138 Ų | 138 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -47 | 163.9 | -176 | -51.7 | 165.7 | 179.1 | 173.5 | 0 | 121.5 | | |
| 434 | A | 35.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -148.8 | 165.9 | 145 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 435 | H | 32.7 | Very low | 36.4 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -142.2 | 151.5 | -175.2 | -91 | -95.4 | 0 | 0 | 0 | 112.6 | | |
| 436 | H | 40.1 | Very low | 36.1 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -148.4 | 168.7 | 157.8 | -79.6 | -60.2 | 0 | 0 | 0 | 112.4 | | |
| 437 | S | 34.2 | Very low | 35.7 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -158.6 | 161.6 | -155.4 | 51.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 438 | G | 37 | Very low | 35.8 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 108.3 | 160.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 439 | A | 36.6 | Very low | 35.3 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | cis | -171.1 | 172.9 | -18.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 440 | L | 37.3 | Very low | 35.4 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | 95.9 | 109.4 | 155.6 | -53.7 | 176 | 0 | 0 | 0 | 123.6 | | |
| 441 | R | 36.2 | Very low | 35.4 | Very low | 223 Ų | 223 | 142.6 Ų | 142.6 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | | 72.1 | 98 | 123.7 | -68.2 | -177.4 | 165.2 | 169.5 | -5.9 | 125.4 | | |
| 442 | S | 34.8 | Very low | 35.3 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | | 49.7 | 144.4 | 108.4 | -48.4 | 0 | 0 | 0 | 0 | 126.3 | | |
| 443 | S | 35.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 75.7 | 154.3 | 150.5 | 71.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 444 | S | 33.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | cis | -175.4 | 157.7 | -24.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 445 | V | 34.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 76.7 | 101.2 | 147.7 | 166.9 | 0 | 0 | 0 | 0 | 122 | | |
| 446 | Q | 32.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | | 79.2 | 145.3 | 117.1 | -148.2 | -178.7 | 12.9 | 0 | 0 | 124.7 | | |
| 447 | R | 29.2 | Very low | 35 | Very low | 219 Ų | 219 | 140.6 Ų | 140.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | 81.2 | 152.9 | 174.2 | -52.4 | 179 | -74.4 | -136.3 | -1.2 | 114.3 | | |
| 448 | V | 34.6 | Very low | 35.1 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | cis | -138.6 | 158.3 | 20 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 449 | I | 32.4 | Very low | 34.8 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -112.8 | 138.5 | 166.8 | -61.9 | 167.9 | 0 | 0 | 0 | 109.9 | | |
| 450 | P | 41.3 | Very low | 34.8 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -100.7 | 133.9 | 160.6 | 34.4 | -26.4 | 0 | 0 | 0 | 112.1 | | |
| 451 | H | 34.2 | Very low | 34.4 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -92.6 | 156.2 | 174 | -65.5 | -107.5 | 0 | 0 | 0 | 111.6 | | |
| 452 | S | 37.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -151.7 | 141.4 | 152.9 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 453 | S | 35.7 | Very low | 34.1 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -124.5 | 156.6 | -166.6 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 454 | K | 38.9 | Very low | 33.9 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -167.4 | 134 | 135.9 | -106.7 | 159.6 | -172.9 | 179.3 | 0 | 111.6 | | |
| 455 | E | 33.2 | Very low | 33.9 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -90.6 | 163.6 | 174.5 | -58.1 | 153.3 | 106.2 | 0 | 0 | 110.6 | | |
| 456 | T | 35.7 | Very low | 34 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | | -171.1 | 136.7 | 128 | -77.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 457 | L | 30.3 | Very low | 34 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -137.4 | 123 | -173.9 | -148.1 | 176.8 | 0 | 0 | 0 | 108.7 | I459 | L457-I459 HydrophobicContact CD2-CD1 3.98Å; L457-I459 HydrophobicContact CD2-CG1 3.9Å |
| 458 | W | 36.7 | Very low | 34.3 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -137 | 133.2 | 174.1 | -74.1 | 84.6 | 0 | 0 | 0 | 111 | | |
| 459 | I | 30.5 | Very low | 34.3 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | | | trans | -130.9 | 130.7 | 179.2 | -61.4 | 169.5 | 0 | 0 | 0 | 107.5 | L457 | L457-I459 HydrophobicContact CD2-CD1 3.98Å; L457-I459 HydrophobicContact CD2-CG1 3.9Å |
| 460 | R | 35.4 | Very low | 34.4 | Very low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -158.9 | 99.4 | 160.8 | -129.6 | 173.7 | -176.1 | 173 | 0.8 | 116.1 | | |
| 461 | N | 30.8 | Very low | 34 | Very low | 127 Ų | 127 | 155 Ų | 155 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | trans | 30.6 | 123.2 | 133.5 | -60.2 | 16.3 | 0 | 0 | 0 | 121.9 | | |
| 462 | S | 30.8 | Very low | 34 | Very low | 89 Ų | 89 | 157 Ų | 157 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | | | | 66.9 | 133 | 122.5 | -49.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 463 | Y | 33.5 | Very low | 33.7 | Very low | 213 Ų | 213 | 155.3 Ų | 155.3 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | | -174.6 | 173.4 | 89.3 | -97 | -70.5 | 0 | 0 | 0 | 112.9 | | |
| 464 | N | 31 | Very low | 33.6 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -77.2 | 174.6 | -177 | -54.1 | -46.3 | 0 | 0 | 0 | 111.6 | | |
| 465 | T | 33.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | cis | -161 | 162.4 | 37.8 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 466 | P | 35.5 | Very low | 33.3 | Very low | 117 Ų | 117 | 153 Ų | 153 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -98.9 | 170.2 | 171.4 | 39.7 | -35.4 | 0 | 0 | 0 | 114.4 | | |
| 467 | S | 33.4 | Very low | 33.2 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | | 161.5 | 157.2 | 123.7 | 63 | 0 | 0 | 0 | 0 | 116.6 | | |
| 468 | Q | 35.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 52.6 | 129.9 | 161 | -44.6 | -151.9 | -2.6 | 0 | 0 | 119.3 | | |
| 469 | N | 34.4 | Very low | 32.9 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | -168.3 | 129.2 | 65.9 | -147.2 | -10.3 | 0 | 0 | 0 | 113.3 | | |
| 470 | P | 34.8 | Very low | 33 | Very low | 97 Ų | 97 | 143 Ų | 143 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | trans | -113.2 | 152.2 | 168.4 | 37.8 | -29.1 | 0 | 0 | 0 | 112.9 | | |
| 471 | Y | 32.4 | Very low | 32.7 | Very low | 228 Ų | 228 | 137.8 Ų | 137.8 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | | | trans | 175.3 | 156.2 | 142.2 | -101.3 | -61.8 | 0 | 0 | 0 | 113.9 | | |
| 472 | R | 34.1 | Very low | 33 | Very low | 223 Ų | 223 | 136 Ų | 136 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | | | trans | 68.5 | 118.2 | 174.1 | -64.5 | 175.4 | 176.4 | -99.9 | -1.6 | 115.6 | | |
| 473 | S | 32.6 | Very low | 33 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | cis | 75.3 | 139 | 35.6 | 91.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 474 | L | 32.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | -167.3 | -168 | 0.4 | -125.2 | 172.2 | 0 | 0 | 0 | 108.4 | | |
| 475 | V | 36.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | trans | 75.8 | 112.3 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 113 | | |
| 476 | K | 31.5 | Very low | 32.9 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | cis | 90.7 | 147 | 37.1 | -69.5 | -169.3 | 171.7 | -174.6 | 0 | 114.8 | | |
| 477 | S | 33.3 | Very low | 33 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | 76.7 | 118.2 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 478 | S | 28.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | 79.2 | 136.8 | 28.3 | 91.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 479 | S | 31.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | 68.8 | 152.7 | -170.5 | 77.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 480 | S | 32.5 | Very low | 32.5 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | cis | 165.1 | 154.9 | -45.3 | 53.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 481 | I | 29.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 68% | 0.677 | 75% | 0.748 | S | S | * | * | | | trans | 82.6 | 144.7 | 169.6 | -56.9 | 167.6 | 0 | 0 | 0 | 114.3 | M687 | I481-M687 HydrophobicContact CG2-CE 4.39Š|
| 482 | P | 36.3 | Very low | 32.5 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 58% | 0.584 | 74% | 0.735 | S | S | * | * | | | trans | -119 | -161.5 | -166.7 | 38.7 | -20.3 | 0 | 0 | 0 | 114 | | |
| 483 | L | 31.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | trans | 96.3 | 132.6 | 164.9 | -64.7 | 169.7 | 0 | 0 | 0 | 120.1 | | |
| 484 | S | 29.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | | | trans | 70.8 | 153.3 | 157.4 | 76.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 485 | G | 32.2 | Very low | 32.7 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | | | trans | 122.8 | 51.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | P487 | G485-P487 WeakPolarHBondContact O-CD 3.39Š|
| 486 | T | 32.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | | | trans | -72 | 132.6 | 161.2 | 46.7 | 0 | 0 | 0 | 0 | 111 | | |
| 487 | P | 37.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | | | trans | -97.6 | 110.3 | 146.2 | 2.8 | 18.3 | 0 | 0 | 0 | 108.1 | G485 | G485-P487 WeakPolarHBondContact O-CD 3.39Š|
| 488 | S | 29.2 | Very low | 32.2 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | trans | -64.3 | 141.1 | 155.5 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 489 | N | 30.2 | Very low | 32.3 | Very low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | trans | 149.9 | 142.4 | 152.6 | -78.6 | -8.6 | 0 | 0 | 0 | 109.1 | | |
| 490 | L | 32.5 | Very low | 32.4 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | | | cis | -158.1 | 166.6 | -10.1 | -120.7 | 166.8 | 0 | 0 | 0 | 107.1 | | |
| 491 | D | 32.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | | | trans | 68.1 | 141.6 | 155 | -76.1 | -49.9 | 0 | 0 | 0 | 119.1 | | |
| 492 | S | 35.2 | Very low | 32.5 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | cis | -160.2 | 155.5 | -3.8 | -135.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 493 | V | 35.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | trans | 67.4 | 101.4 | 137.2 | 165.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 494 | I | 33.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | trans | 78.1 | 127.5 | 130.1 | -65.2 | -179.1 | 0 | 0 | 0 | 119.9 | | |
| 495 | P | 34.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | -82.8 | 147 | 167 | 35.1 | -34.3 | 0 | 0 | 0 | 112.6 | | |
| 496 | K | 32.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -136.8 | 114.2 | 159.6 | -85.3 | -155.4 | 171.7 | -178.6 | 0 | 109.2 | | |
| 497 | I | 28.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | | | | 86.6 | 109.9 | 84.4 | -78.8 | 175.7 | 0 | 0 | 0 | 111 | | |
| 498 | T | 29.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | | | trans | 35.8 | 132.3 | 152.1 | 65.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 499 | S | 30.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | | -166 | 173.7 | 108.9 | 74.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 500 | P | 35.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | -126.7 | -179.2 | -117.5 | 28 | -4.2 | 0 | 0 | 0 | 114.9 | S502 | P500-S502 PolarHBondContact O-N 3.37Š|
| 501 | F | 27.3 | Very low | 33.3 | Very low | 206 Ų | 206 | 127.5 Ų | 127.5 | 90% | 0.904 | 74% | 0.736 | S | S | * | * | | | trans | -52.5 | 131.3 | 156.3 | -112.8 | -100.3 | 0 | 0 | 0 | 110.2 | Q503 | F501-Q503 PolarHBondContact O-N 3.13Š|
| 502 | S | 37 | Very low | 33.7 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | | | trans | -77.1 | 94 | -179.1 | -52 | 0 | 0 | 0 | 0 | 112 | P500 | P500-S502 PolarHBondContact O-N 3.37Š|
| 503 | Q | 32.7 | Very low | 33.7 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | -73.1 | 168.3 | 149.5 | -75.5 | -165.5 | -5.5 | 0 | 0 | 109.9 | F501 | F501-Q503 PolarHBondContact O-N 3.13Š|
| 504 | P | 35.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | | | cis | -136 | -164.7 | 14.3 | 28.4 | -2.7 | 0 | 0 | 0 | 115.3 | | |
| 505 | I | 34.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | | | trans | 111.5 | 94.6 | 152 | -56.8 | 165.7 | 0 | 0 | 0 | 117.4 | | |
| 506 | S | 31.7 | Very low | 33.9 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | trans | 75.3 | 134.7 | 142.3 | 69.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 507 | S | 33.8 | Very low | 34 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | | | trans | 63.3 | 139.7 | 159 | 56.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 508 | S | 35.1 | Very low | 34.3 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | | | cis | -171.5 | 138.3 | -17 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 509 | N | 34 | Very low | 34.7 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | | | trans | 62.9 | 148.2 | 161.5 | -66.2 | 16.7 | 0 | 0 | 0 | 117.4 | | |
| 510 | C | 31.9 | Very low | 35.1 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | | | cis | -164.1 | 149.8 | -12.2 | -111.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 511 | N | 40.4 | Very low | 35 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | | | trans | 65.2 | 142.1 | 143.4 | -66.1 | 47.3 | 0 | 0 | 0 | 119.6 | | |
| 512 | D | 39.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | | | cis | -157.5 | 146.4 | -3.6 | -96.7 | -23.5 | 0 | 0 | 0 | 112.1 | | |
| 513 | Y | 35.3 | Very low | 35.5 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | 33.5 | 148.3 | 136.3 | -67.6 | -59.4 | 0 | 0 | 0 | 123.1 | | |
| 514 | L | 39.1 | Very low | 35.6 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | cis | -144.1 | 158.8 | 0.4 | -84.3 | 125.4 | 0 | 0 | 0 | 107.3 | | |
| 515 | E | 34.2 | Very low | 35.5 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | cis | 77.1 | 132.3 | 38.2 | -149.3 | 172.1 | -166.7 | 0 | 0 | 112.6 | | |
| 516 | S | 33.7 | Very low | 35.6 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | | | cis | -167.4 | 178.3 | -12.9 | -105 | 0 | 0 | 0 | 0 | 112.2 | | |
| 517 | D | 36.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | trans | 59.6 | 139.1 | 156.6 | -69.9 | -54.9 | 0 | 0 | 0 | 120.4 | N519 | D517-N519 PolarHBondContact OD1-ND2 3.17Å; D517-N519 VanDerWaalsContact OD1-ND2 3.13Å |
| 518 | A | 34.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | | | cis | 96.7 | 169.7 | 14.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 519 | N | 37.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | | | trans | 75.4 | 90.9 | 163.1 | -53.1 | -50.2 | 0 | 0 | 0 | 120 | D517 | D517-N519 PolarHBondContact OD1-ND2 3.17Å; D517-N519 VanDerWaalsContact OD1-ND2 3.13Å |
| 520 | Q | 39.5 | Very low | 35.1 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | | | | 161.8 | 121.2 | 110.8 | -85.3 | 153.1 | 111.7 | 0 | 0 | 110.5 | | |
| 521 | L | 32.6 | Very low | 35.2 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | | 92.3 | 146.5 | 57.1 | -75.5 | 172.5 | 0 | 0 | 0 | 113.3 | | |
| 522 | P | 39.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 138 Ų | 138 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | trans | -132.9 | -166 | -148.4 | 38 | -17 | 0 | 0 | 0 | 113.6 | | |
| 523 | K | 34.4 | Very low | 34.7 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | | | trans | 149.9 | 164.3 | 132.7 | -82.6 | 168.1 | -175.9 | 177.3 | 0 | 114.2 | | |
| 524 | N | 35 | Very low | 34.5 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | 72.4 | 117.2 | 163.6 | -59.3 | -16.1 | 0 | 0 | 0 | 116.2 | | |
| 525 | V | 33.1 | Very low | 34.1 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | | 75 | 103.7 | 53.4 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 526 | L | 36.3 | Very low | 34 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | | | | -167.7 | 165.4 | 129.1 | -104.8 | 162.3 | 0 | 0 | 0 | 111.9 | | |
| 527 | S | 31.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | trans | -111.3 | 160.6 | -156.6 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 528 | K | 32.1 | Very low | 33.3 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | 77.4 | 138 | 139.9 | -87.1 | -179 | 174.2 | -176.1 | 0 | 121.5 | | |
| 529 | T | 31 | Very low | 33 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | trans | 69.2 | 135.5 | 147.5 | 36.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 530 | D | 29.3 | Very low | 32.7 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | 54.9 | 129.2 | 146.1 | -46.1 | -26.7 | 0 | 0 | 0 | 118.2 | | |
| 531 | F | 33.9 | Very low | 32.2 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | | | | -162.6 | 162.5 | 69.4 | -103 | -86.3 | 0 | 0 | 0 | 112.8 | | |
| 532 | S | 33.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -106.3 | 123.4 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 533 | S | 35.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | trans | -148.8 | 126 | 158.6 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 534 | A | 31.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | cis | 87.9 | 100.8 | 32.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 535 | K | 31.7 | Very low | 31.3 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | | | trans | 66 | 131.8 | 169.6 | -43.7 | 171.8 | -176.7 | 175.4 | 0 | 113.5 | | |
| 536 | F | 31.6 | Very low | 31.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 77% | 0.772 | 74% | 0.735 | S | S | * | * | | | cis | -160.6 | 135.1 | 48.5 | -88.8 | -88.7 | 0 | 0 | 0 | 106.8 | | |
| 537 | N | 28 | Very low | 31 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | | | | 79.6 | 136.3 | 69.9 | -164.6 | 45.1 | 0 | 0 | 0 | 113.6 | | |
| 538 | N | 28.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | | | trans | 67.7 | 153 | 168.6 | -71.1 | -4.5 | 0 | 0 | 0 | 116.6 | | |
| 539 | N | 28.6 | Very low | 31 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 50% | 0.503 | 73% | 0.73 | S | S | . | * | | | cis | -163.4 | 150.8 | -2.4 | -121.5 | -17.6 | 0 | 0 | 0 | 112.6 | | |
| 540 | Y | 29.5 | Very low | 30.8 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | | | trans | 60 | 164.6 | 154.4 | -61.7 | -44.2 | 0 | 0 | 0 | 117.3 | | |
| 541 | K | 28.4 | Very low | 30.9 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | | | cis | -152.4 | 173.6 | -16.1 | -110.8 | 167.2 | -174.7 | -172.7 | 0 | 104.5 | | |
| 542 | T | 31 | Very low | 30.8 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | | | cis | -158.9 | 140.6 | 33.8 | -40.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 543 | D | 28.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | | | trans | 5.3 | 133.7 | 150.9 | -37.7 | -37.6 | 0 | 0 | 0 | 121.5 | | |
| 544 | H | 36.9 | Very low | 30.1 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 88% | 0.88 | 73% | 0.726 | S | S | * | * | | | trans | 161.4 | 83.6 | 141.9 | -83.5 | -51.4 | 0 | 0 | 0 | 107.2 | | |
| 545 | V | 27.6 | Very low | 29.8 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | | | | 54.3 | 82.1 | 55.7 | -168.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 546 | T | 36 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | | -158.3 | 127.2 | 128.1 | -61.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 547 | E | 27 | Very low | 29.5 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | -78.3 | 131.4 | 170.9 | -64.8 | 172.4 | 83.4 | 0 | 0 | 110.6 | N549 | E547-N549 PolarHBondContact OE1-ND2 2.86Š|
| 548 | I | 35.7 | Very low | 29.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 71% | 0.71 | S | S | * | * | | | trans | -128.5 | 93.8 | 154.8 | -58.3 | -175.8 | 0 | 0 | 0 | 108 | | |
| 549 | N | 26.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | -64.3 | 134.9 | 177.6 | -75.5 | -74.7 | 0 | 0 | 0 | 112.1 | E547 | E547-N549 PolarHBondContact OE1-ND2 2.86Š|
| 550 | K | 27.6 | Very low | 29.1 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | trans | 173.8 | 122.5 | 135.6 | -97.8 | 154.4 | -171.4 | 177.6 | 0 | 113.9 | | |
| 551 | P | 31.4 | Very low | 29 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 60% | 0.597 | 73% | 0.726 | S | S | * | * | | | trans | -67.5 | 162.9 | 133.9 | 34 | -33.9 | 0 | 0 | 0 | 109 | H553 | P551-H553 HydrophobicContact CG-CB 4.07Å; P551-H553 PolarHBondContact O-N 2.83Å |
| 552 | P | 30.6 | Very low | 29 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -74.1 | 48 | 172.6 | 33 | -36.3 | 0 | 0 | 0 | 112.5 | W554 | P552-W554 PolarHBondContact O-N 2.96Å; P552-W554 PolarHBondContact O-NE1 2.85Å |
| 553 | H | 25.8 | Very low | 29.1 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | | | trans | -91.6 | 89.3 | 172.9 | -162.1 | -55.8 | 0 | 0 | 0 | 108.8 | P551 S555 | P551-H553 HydrophobicContact CG-CB 4.07Å; P551-H553 PolarHBondContact O-N 2.83Å; H553-S555 PolarHBondContact CE1-OG 3.04Å; H553-S555 PolarHBondContact ND1-OG 3.1Å; H553-S555 PolarHBondContact O-N 3.39Å |
| 554 | W | 29.3 | Very low | 29.1 | Very low | 240 Ų | 240 | 139.4 Ų | 139.4 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | | | trans | -77.4 | 67.4 | 177.9 | 25.2 | -85.2 | 0 | 0 | 0 | 111.4 | P552 | P552-W554 PolarHBondContact O-N 2.96Å; P552-W554 PolarHBondContact O-NE1 2.85Å |
| 555 | S | 25.7 | Very low | 28.9 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 52% | 0.524 | 72% | 0.719 | S | S | . | * | | | trans | -72.3 | 137.1 | 162.1 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | H553 | H553-S555 PolarHBondContact CE1-OG 3.04Å; H553-S555 PolarHBondContact ND1-OG 3.1Å; H553-S555 PolarHBondContact O-N 3.39Å |
| 556 | V | 30.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | | | trans | 22.1 | 115.8 | 130.2 | -163.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 557 | D | 25.4 | Very low | 28.5 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | | -167.2 | -174.7 | 55.5 | -150.8 | -24.2 | 0 | 0 | 0 | 112.7 | | |
| 558 | S | 25.7 | Very low | 28.6 | Very low | 68 Ų | 68 | 140 Ų | 140 | 48% | 0.476 | 72% | 0.723 | S | S | . | * | | | trans | 85.9 | 105.7 | 151.7 | -88.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 559 | R | 26.3 | Very low | 28.3 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 75% | 0.751 | 72% | 0.722 | S | S | * | * | | | | 93.9 | 111.5 | 119 | -80.9 | 178.6 | -81.9 | 166.7 | -0.5 | 120.9 | | |
| 560 | F | 25.3 | Very low | 28.3 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | 72.6 | 140.2 | 155.5 | -55.4 | -61.1 | 0 | 0 | 0 | 117.4 | I562 | F560-I562 HydrophobicContact CD1-CD1 3.76Å; F560-I562 HydrophobicContact CE1-CD1 4.16Å |
| 561 | S | 28 | Very low | 28.3 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | cis | -131.9 | 128.6 | 1.1 | -81.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 562 | I | 26.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 58% | 0.579 | 74% | 0.74 | S | S | * | * | | | | 60.7 | 93.2 | 87.2 | -54.7 | 164.6 | 0 | 0 | 0 | 114 | F560 | F560-I562 HydrophobicContact CD1-CD1 3.76Å; F560-I562 HydrophobicContact CE1-CD1 4.16Å |
| 563 | N | 34.9 | Very low | 28.1 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | | -175.2 | 118.2 | 122.6 | -92 | -34.4 | 0 | 0 | 0 | 108.3 | | |
| 564 | N | 27.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 142 Ų | 142 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | | | | 96.5 | 149.1 | 50.3 | -76.9 | -34.7 | 0 | 0 | 0 | 112.3 | | |
| 565 | Y | 33.7 | Very low | 28.4 | Very low | 216 Ų | 216 | 137.9 Ų | 137.9 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | | | trans | 70.1 | 96.1 | -169.1 | -52 | -77 | 0 | 0 | 0 | 113 | | |
| 566 | S | 26.1 | Very low | 28.9 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | cis | 75 | 97.9 | 15.9 | -33 | 0 | 0 | 0 | 0 | 116.7 | | |
| 567 | K | 28.7 | Very low | 29 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | | 148.5 | 138.6 | 126.2 | -83.2 | 176.1 | 178 | -179.1 | 0 | 114.1 | | |
| 568 | A | 29 | Very low | 29.3 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | 62.3 | 159.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 569 | S | 29.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -134.9 | 162.7 | -0.4 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 570 | Q | 27.8 | Very low | 29.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -71.4 | 162.6 | 164.8 | -63.4 | 167 | -76.9 | 0 | 0 | 111.7 | | |
| 571 | N | 27.2 | Very low | 30.1 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | 69 | 118.8 | 159.4 | -56.9 | -17.3 | 0 | 0 | 0 | 118.1 | | |
| 572 | G | 31.4 | Very low | 30.3 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 175.6 | 87.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 573 | F | 26.7 | Very low | 30.5 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | | | trans | -75.5 | 134.7 | 167 | -92.9 | -105.8 | 0 | 0 | 0 | 110 | | |
| 574 | L | 31.6 | Very low | 30.2 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | | 158.7 | 134.3 | 126.8 | -90.2 | 146.1 | 0 | 0 | 0 | 111.5 | | |
| 575 | N | 28.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -120.4 | 128.7 | 175 | -115.2 | -17.1 | 0 | 0 | 0 | 108.3 | | |
| 576 | H | 36.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | | | trans | -138.8 | 95.1 | 171.5 | -82.5 | -64.9 | 0 | 0 | 0 | 109.1 | | |
| 577 | T | 32.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | | | | 76.5 | 113.9 | 87.9 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 578 | N | 32.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | | -176.2 | 99.4 | 116.7 | -89.5 | -22.6 | 0 | 0 | 0 | 113 | | |
| 579 | H | 30.8 | Very low | 30.5 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -144.8 | 135.3 | 158.9 | -87.4 | -74.9 | 0 | 0 | 0 | 108.8 | | |
| 580 | P | 32.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | | | trans | -83.2 | 115.6 | 176.2 | 31.3 | -31.9 | 0 | 0 | 0 | 111.3 | | |
| 581 | S | 31.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 130.4 | -177.2 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 582 | I | 31.1 | Very low | 30.8 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.7 | 166.4 | -62.3 | 174.7 | 0 | 0 | 0 | 108.4 | I584 | I582-I584 PolarHBondContact O-N 2.97Š|
| 583 | K | 32.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 146 Ų | 146 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.4 | -177 | -68.7 | -171 | 177.1 | -173.6 | 0 | 112.1 | Y585 | K583-Y585 HydrophobicContact CB-CD2 4.29Å; K583-Y585 HydrophobicContact CB-CE2 4.02Å; K583-Y585 HydrophobicContact CD-CE2 3.78Å; K583-Y585 PolarHBondContact NZ-OH 2.99Å |
| 584 | I | 27.6 | Very low | 30.8 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 125 | 159.4 | -60.4 | 171.7 | 0 | 0 | 0 | 106.7 | I582 T586 | I582-I584 PolarHBondContact O-N 2.97Å; I584-T586 HydrophobicContact CG2-CG2 4.1Å |
| 585 | Y | 29.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | -95.7 | 101.9 | 174.4 | -87.2 | -83.3 | 0 | 0 | 0 | 110.3 | K583 | K583-Y585 HydrophobicContact CB-CD2 4.29Å; K583-Y585 HydrophobicContact CB-CE2 4.02Å; K583-Y585 HydrophobicContact CD-CE2 3.78Å; K583-Y585 PolarHBondContact NZ-OH 2.99Å |
| 586 | T | 28.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -130.4 | 89.2 | 168.4 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | I584 | I584-T586 HydrophobicContact CG2-CG2 4.1Š|
| 587 | E | 33.9 | Very low | 30.5 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | -115.5 | 92.1 | 179.1 | -72.5 | -179.6 | 174.7 | 0 | 0 | 110 | | |
| 588 | S | 29.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | trans | -90.2 | 156.7 | 153.1 | -63.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 589 | E | 29.7 | Very low | 30.2 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 61.4 | 84.2 | 170.3 | -56.2 | -166.4 | 115 | 0 | 0 | 117.7 | | |
| 590 | V | 31.6 | Very low | 30 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | | | trans | -130.2 | 98.1 | 149.3 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 591 | Q | 30.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | trans | 44.9 | 124.4 | 141.8 | -62.5 | 173.7 | -6.4 | 0 | 0 | 121 | | |
| 592 | S | 28.2 | Very low | 30 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | | | trans | -59.4 | 132.5 | 165.9 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 593 | V | 30.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | | | trans | -132.7 | 141.7 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 594 | P | 28.7 | Very low | 30 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | | | trans | -86.9 | 156.9 | -146.9 | 32.7 | -37.4 | 0 | 0 | 0 | 116.2 | Y596 | P594-Y596 HydrophobicContact CB-CD2 4.4Å; P594-Y596 HydrophobicContact CG-CD2 4.24Å; P594-Y596 HydrophobicContact CG-CE2 4.43Å |
| 595 | T | 27.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | | | trans | -63.9 | 126.4 | 159.4 | 44 | 0 | 0 | 0 | 0 | 111.2 | | |
| 596 | Y | 30.2 | Very low | 30.6 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | | | trans | -146.6 | 126.7 | 159.9 | -90.4 | -70.4 | 0 | 0 | 0 | 110.9 | P594 | P594-Y596 HydrophobicContact CB-CD2 4.4Å; P594-Y596 HydrophobicContact CG-CD2 4.24Å; P594-Y596 HydrophobicContact CG-CE2 4.43Å |
| 597 | D | 30.3 | Very low | 30.6 | Very low | 55 Ų | 55 | 138.6 Ų | 138.6 | 29% | 0.294 | 73% | 0.725 | S | S | . | * | | | trans | 49.2 | 95.2 | 146.3 | -49.8 | -25.6 | 0 | 0 | 0 | 120 | P33 | P33-D597 WeakPolarHBondContact CA-OD2 3.39Å; P33-D597 HydrophobicContact CB-CB 4.41Å; P33-D597 WeakPolarHBondContact CB-OD2 3.49Å; P33-D597 VanDerWaalsContact CD-OD2 3.27Å; P33-D597 WeakPolarHBondContact CD-OD2 3.24Å; P33-D597 HydrophobicContact CG-CB 4.21Å; P33-D597 VanDerWaalsContact N-OD2 3.13Å |
| 598 | E | 28.7 | Very low | 30.3 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 38% | 0.383 | 73% | 0.726 | S | S | . | * | | | | 34.2 | 115.6 | 112.1 | -165.9 | -177.2 | 165 | 0 | 0 | 118.7 | L31 S600 | L31-E598 WeakPolarHBondContact CD2-OE2 3.43Å; L31-E598 WeakPolarHBondContact CG-OE2 3.46Å; E598-S600 PolarHBondContact OE1-OG 2.91Å |
| 599 | Y | 31.1 | Very low | 30.3 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | | | trans | -121.1 | 87.2 | 155.8 | -106.2 | -87.1 | 0 | 0 | 0 | 110.2 | F601 | Y599-F601 PolarHBondContact O-N 3.23Š|
| 600 | S | 27.1 | Very low | 30.3 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | | | trans | -72.9 | 111.2 | 172.6 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | E598 | E598-S600 PolarHBondContact OE1-OG 2.91Š|
| 601 | F | 32.5 | Very low | 30.2 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | | | trans | -106 | 86.7 | 165.3 | -111.1 | -76.5 | 0 | 0 | 0 | 109.7 | Y599 | Y599-F601 PolarHBondContact O-N 3.23Š|
| 602 | T | 29.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 141 Ų | 141 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -69.2 | 145.1 | 167.6 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 603 | N | 34.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | | | trans | -145.9 | 84.2 | 156.8 | -147.7 | -1.3 | 0 | 0 | 0 | 108.1 | | |
| 604 | E | 30.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | trans | -63.9 | 146.2 | 172.2 | -53.3 | -179 | 113.3 | 0 | 0 | 109.8 | | |
| 605 | T | 34 | Very low | 30.2 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | -176.6 | 140.6 | 117.1 | 20.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 606 | N | 34.4 | Very low | 30.2 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | | | trans | 55.8 | 112.3 | 149.3 | -57.1 | -35.2 | 0 | 0 | 0 | 119 | | |
| 607 | K | 29.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | | | | 81.2 | 137.2 | 57.4 | -74.3 | 178.4 | 179.1 | 174.3 | 0 | 114.1 | | |
| 608 | A | 27.3 | Very low | 30 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | 66.4 | 143.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 609 | E | 29.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | cis | -151 | 156 | -7.4 | -123 | -177.2 | -155.6 | 0 | 0 | 110.1 | I611 | E609-I611 PolarHBondContact O-N 3.43Š|
| 610 | P | 29.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -94.4 | 94.4 | -175.7 | 34.9 | -28.3 | 0 | 0 | 0 | 112.3 | | |
| 611 | I | 29.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -87 | 136.6 | 175.2 | -64.1 | -179.2 | 0 | 0 | 0 | 111 | E609 | E609-I611 PolarHBondContact O-N 3.43Š|
| 612 | R | 28.7 | Very low | 30.3 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | -93 | 127.7 | -175.6 | -59.9 | 171.6 | 178.7 | 166.2 | -2.2 | 112.2 | | |
| 613 | T | 31.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -149.3 | 118.5 | 144.2 | 13.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 614 | A | 26.3 | Very low | 30.6 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | cis | 64 | 68.6 | 37.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 615 | D | 32.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -144.6 | 97.4 | 152.7 | -104.3 | -36.9 | 0 | 0 | 0 | 108.5 | T617 | D615-T617 PolarHBondContact O-N 2.98Š|
| 616 | E | 26.4 | Very low | 30.2 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -73.3 | 122.7 | 171.9 | -63.4 | -177.4 | 117.7 | 0 | 0 | 109.2 | P618 | E616-P618 WeakPolarHBondContact O-CD 3.33Š|
| 617 | T | 30.5 | Very low | 30 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | -113.2 | 74.4 | 170.8 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | D615 I619 | D615-T617 PolarHBondContact O-N 2.98Å; T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.45Å |
| 618 | P | 26.3 | Very low | 30 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -78.7 | 75.2 | 176.8 | 34.4 | -36 | 0 | 0 | 0 | 110.6 | E616 L620 | E616-P618 WeakPolarHBondContact O-CD 3.33Å; P618-L620 VanDerWaalsContact C-N 3.26Å; P618-L620 PolarHBondContact O-N 2.93Å |
| 619 | I | 34.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -78.5 | 75.2 | -174.5 | -52.5 | -175.2 | 0 | 0 | 0 | 112 | T617 | T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.45Å |
| 620 | L | 28.8 | Very low | 29.7 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | 32.7 | 110.7 | 134 | -77.1 | 150.5 | 0 | 0 | 0 | 118.5 | P618 | P618-L620 VanDerWaalsContact C-N 3.26Å; P618-L620 PolarHBondContact O-N 2.93Å |
| 621 | G | 31.4 | Very low | 29.6 | Very low | 76 Ų | 76 | 148.2 Ų | 148.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -85.3 | 174 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 622 | R | 30.8 | Very low | 29.5 | Very low | 258 Ų | 258 | 147.7 Ų | 147.7 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | | | trans | -132.8 | 138.5 | 160.7 | -64.6 | 179.5 | 174.3 | -163 | -1 | 106.5 | | |
| 623 | G | 34.4 | Very low | 29.6 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | cis | -173.9 | 173.7 | -7.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 624 | T | 37.5 | Very low | 29.5 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | cis | -142.7 | 139.3 | 3.8 | 44.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 625 | R | 28.1 | Very low | 29.7 | Very low | 229 Ų | 229 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | | 44.7 | 127.9 | 85.6 | -89.2 | -169.7 | 172.8 | -178.3 | -3.1 | 113.3 | | |
| 626 | T | 27.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 61% | 0.607 | 79% | 0.785 | S | S | * | * | | | cis | -156.9 | 146.2 | 11.5 | -24.1 | 0 | 0 | 0 | 0 | 110.6 | I628 | T626-I628 HydrophobicContact CG2-CG1 4.45Š|
| 627 | H | 30.2 | Very low | 29.9 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | trans | -134.7 | 141 | 146.5 | -104.8 | -84.4 | 0 | 0 | 0 | 109 | | |
| 628 | I | 28.4 | Very low | 30 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | | | trans | -97.8 | 119 | -169 | -61.4 | 166.2 | 0 | 0 | 0 | 108 | T626 T630 | T626-I628 HydrophobicContact CG2-CG1 4.45Å; I628-T630 WeakPolarHBondContact CG2-OG1 3.49Å |
| 629 | L | 24.6 | Very low | 30.3 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | | | trans | -92 | 90.5 | 157.9 | -89.1 | 166.2 | 0 | 0 | 0 | 107 | | |
| 630 | T | 27.7 | Very low | 30.1 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | | | trans | -72.9 | 141.9 | 165.8 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | I628 | I628-T630 WeakPolarHBondContact CG2-OG1 3.49Š|
| 631 | E | 26.8 | Very low | 30.5 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -33.4 | 135.6 | 164.4 | -59.4 | 134.9 | 150.6 | 0 | 0 | 113.1 | | |
| 632 | D | 27.8 | Very low | 30.6 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | | -155.1 | 149.5 | 96.5 | -141 | -35.4 | 0 | 0 | 0 | 113.4 | | |
| 633 | S | 30.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 42.5 | 98.9 | 151.5 | -70.2 | 0 | 0 | 0 | 0 | 119.3 | L635 | S633-L635 PolarHBondContact O-N 3.42Š|
| 634 | A | 29.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -61.9 | 113.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L636 | A634-L636 PolarHBondContact O-N 3.34Š|
| 635 | L | 29.3 | Very low | 29.9 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -70.9 | 108.1 | 154.5 | -85 | 172.5 | 0 | 0 | 0 | 109 | S633 | S633-L635 PolarHBondContact O-N 3.42Š|
| 636 | L | 33 | Very low | 29.8 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 52 | 93 | 154.4 | -65.6 | 155.6 | 0 | 0 | 0 | 115.8 | A634 | A634-L636 PolarHBondContact O-N 3.34Š|
| 637 | S | 31.6 | Very low | 29.9 | Very low | 86 Ų | 86 | 149.5 Ų | 149.5 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | | | | 78.2 | 100.6 | 86.7 | 175.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 638 | N | 31.1 | Very low | 30.1 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | | 49.9 | 97.2 | 129.8 | -52 | -54.2 | 0 | 0 | 0 | 118.6 | | |
| 639 | K | 32.5 | Very low | 30 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | | -174.6 | 161.5 | 93 | -98.6 | 157.9 | -175.5 | 175 | 0 | 113.4 | | |
| 640 | S | 30.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -104.5 | -168.6 | -177.3 | 61 | 0 | 0 | 0 | 0 | 110.7 | | |
| 641 | P | 37.7 | Very low | 30.4 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -115.7 | 164.8 | -101.5 | 36.4 | -21.6 | 0 | 0 | 0 | 113 | | |
| 642 | N | 32.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -152.7 | 156.9 | 157.6 | -123.5 | -35.7 | 0 | 0 | 0 | 117.2 | | |
| 643 | K | 31 | Very low | 30.8 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 155 | 180 | -68.7 | 167.3 | 168.6 | 171.4 | 0 | 113.6 | | |
| 644 | Y | 27.2 | Very low | 30.7 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | | | trans | 57.4 | 116.1 | 160.2 | -64.1 | -67.3 | 0 | 0 | 0 | 118.1 | | |
| 645 | G | 30.3 | Very low | 31 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 174.1 | 115.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 646 | F | 26.1 | Very low | 31.1 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | | | trans | -96.4 | 145.2 | 169.9 | -120 | -124.1 | 0 | 0 | 0 | 108.7 | | |
| 647 | W | 28.8 | Very low | 31.2 | Very low | 217 Ų | 217 | 143 Ų | 143 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 165.2 | 161.4 | -82.3 | 40.5 | 0 | 0 | 0 | 117.9 | | |
| 648 | P | 34.5 | Very low | 31.1 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | | | cis | -133.2 | 165.9 | -21 | 30.8 | -11.7 | 0 | 0 | 0 | 115.6 | | |
| 649 | N | 28 | Very low | 31.4 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | 47.4 | 145.7 | 143.2 | -67.2 | -7.1 | 0 | 0 | 0 | 124.5 | | |
| 650 | S | 29.7 | Very low | 31.3 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | 85.7 | 115.2 | 144.2 | -142 | 0 | 0 | 0 | 0 | 118.9 | | |
| 651 | N | 29.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | | -175 | 162.5 | 89.9 | -88.1 | -43.4 | 0 | 0 | 0 | 113 | | |
| 652 | Q | 31.3 | Very low | 31.5 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 82.7 | 131.7 | 177.8 | -53.9 | -175.2 | 3.5 | 0 | 0 | 117 | | |
| 653 | I | 33.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | cis | -145.3 | 153.5 | -10.8 | -100.8 | 153.9 | 0 | 0 | 0 | 108.3 | | |
| 654 | S | 28.1 | Very low | 31.8 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 171.8 | -174.3 | -33 | 0 | 0 | 0 | 0 | 114.7 | | |
| 655 | P | 35.3 | Very low | 32.1 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -115.2 | 142.9 | 51.7 | 6.3 | 16.9 | 0 | 0 | 0 | 113.9 | | |
| 656 | T | 31.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | | | | 81.2 | 84.6 | 59.7 | -51.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 657 | V | 34.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | -142.7 | 139.9 | 134.3 | -178 | 0 | 0 | 0 | 0 | 107.2 | | |
| 658 | S | 30.8 | Very low | 33 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -105.7 | 144 | -170.5 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 659 | Q | 35.5 | Very low | 33 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | | | | -176.8 | 95.2 | 121.2 | -98.4 | 170.2 | 53.6 | 0 | 0 | 114.5 | | |
| 660 | Q | 32 | Very low | 33.1 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | trans | -26 | 133.1 | 150.1 | 169.2 | -169.4 | -1.2 | 0 | 0 | 118.4 | | |
| 661 | V | 36.6 | Very low | 33.1 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | | | trans | -140.5 | 154.5 | 131.3 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 662 | N | 34.2 | Very low | 33.2 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -142.7 | -177.6 | -163.8 | -150.8 | -16.4 | 0 | 0 | 0 | 112.6 | | |
| 663 | L | 35.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | 107.1 | 123.9 | 173.2 | -58.8 | 160.1 | 0 | 0 | 0 | 114.2 | | |
| 664 | S | 33.9 | Very low | 32.8 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | cis | 85.5 | 133.7 | 18.9 | -146.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 665 | T | 34.3 | Very low | 32.9 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | cis | -165.4 | 169.3 | 13.1 | -15.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 666 | K | 35.9 | Very low | 32.7 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 74.9 | 158.4 | 154.2 | -68.6 | 164.9 | -176.8 | 179.9 | 0 | 117.8 | | |
| 667 | Q | 35.2 | Very low | 32.6 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | cis | -150.6 | 143.7 | 1.1 | -137.1 | 173.9 | -44.7 | 0 | 0 | 114.4 | | |
| 668 | Q | 33.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | trans | 41.4 | 124.3 | 141.6 | -78.1 | 179.5 | -97.8 | 0 | 0 | 125.2 | | |
| 669 | D | 33.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | | 104.1 | 118.5 | 117.4 | -69.7 | -1.2 | 0 | 0 | 0 | 123.8 | | |
| 670 | N | 30.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 109.7 | 124.6 | 126.9 | -85.7 | -28.5 | 0 | 0 | 0 | 122.4 | | |
| 671 | I | 30.7 | Very low | 31.7 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | | | trans | 89.4 | 98.7 | 145.8 | -64.7 | 164.3 | 0 | 0 | 0 | 119.4 | | |
| 672 | S | 31.1 | Very low | 31.3 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | trans | 57.3 | 112.5 | 141.4 | 71 | 0 | 0 | 0 | 0 | 122.6 | | |
| 673 | Q | 28 | Very low | 31.3 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | | 52.8 | 76 | 121.1 | -58.6 | -179 | 1.7 | 0 | 0 | 118.1 | | |
| 674 | Y | 27.4 | Very low | 31.1 | Very low | 235 Ų | 235 | 152.4 Ų | 152.4 | 92% | 0.922 | 75% | 0.749 | S | S | * | * | | | | -130.3 | 157.9 | 113.4 | -113.6 | -87.4 | 0 | 0 | 0 | 109.8 | S676 | Y674-S676 PolarHBondContact O-N 3Š|
| 675 | K | 31.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | -76.3 | 98.7 | -167.2 | -169.8 | 178.1 | -179.4 | -178 | 0 | 111 | | |
| 676 | S | 29.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 159 Ų | 159 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | -36.3 | 141.1 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 116 | Y674 | Y674-S676 PolarHBondContact O-N 3Š|
| 677 | D | 30.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -48.9 | 174 | 146.8 | -55.2 | -87.5 | 0 | 0 | 0 | 112.1 | | |
| 678 | I | 29.6 | Very low | 30.7 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | | 175.4 | 120.5 | 118.6 | -89 | 156.1 | 0 | 0 | 0 | 111.3 | | |
| 679 | F | 29 | Very low | 30.6 | Very low | 169 Ų | 169 | 157.6 Ų | 157.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | 29.3 | 124.8 | 145.7 | -65.2 | -104 | 0 | 0 | 0 | 121.9 | | |
| 680 | H | 27.1 | Very low | 30.4 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | | 16.4 | 128.9 | 129.6 | -56 | -76.2 | 0 | 0 | 0 | 120 | | |
| 681 | Q | 29.2 | Very low | 30.6 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | | -154.5 | 161.8 | 117.4 | -116 | 174.9 | 54.3 | 0 | 0 | 113.2 | | |
| 682 | R | 26.9 | Very low | 30.8 | Very low | 232 Ų | 232 | 154.7 Ų | 154.7 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | | | trans | -101.5 | 152.3 | -174.2 | -44.6 | 174 | -159.7 | 149 | 4.7 | 111.1 | | |
| 683 | K | 35 | Very low | 31 | Very low | 196 Ų | 196 | 159.2 Ų | 159.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | -178.7 | 102.6 | 149.9 | -98.7 | 151.3 | -174.3 | 178.5 | 0 | 107 | | |
| 684 | S | 30.9 | Very low | 31.3 | Very low | 87 Ų | 87 | 157.9 Ų | 157.9 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | cis | 108.2 | 145.9 | 30.2 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 685 | D | 30.4 | Very low | 31.6 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 72.2 | 94.1 | 156.7 | -42.5 | -44.4 | 0 | 0 | 0 | 120.2 | | |
| 686 | K | 37.5 | Very low | 31.7 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | | | | 173.5 | 142.9 | 112.6 | -91.3 | 168.8 | -172.4 | -176.5 | 0 | 110.9 | | |
| 687 | M | 32.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | cis | -155.8 | 152.2 | -30.3 | -163.8 | 166.7 | 80.1 | 0 | 0 | 106.8 | I481 | I481-M687 HydrophobicContact CG2-CE 4.39Š|
| 688 | I | 30.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 156 Ų | 156 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -78.1 | 137.5 | -175.1 | -61.6 | 162.8 | 0 | 0 | 0 | 110.9 | | |
| 689 | Q | 31.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 156 Ų | 156 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | | | trans | -140.5 | 111.6 | 135.8 | -174.1 | 168.1 | -12.4 | 0 | 0 | 108.6 | D691 | Q689-D691 PolarHBondContact NE2-OD1 3.44Š|
| 690 | T | 31.2 | Very low | 32.1 | Very low | 86 Ų | 86 | 154.1 Ų | 154.1 | 53% | 0.528 | 76% | 0.761 | S | S | . | * | | | trans | -98 | 132.2 | 165.9 | -37.7 | 0 | 0 | 0 | 0 | 106.8 | D692 | T690-D692 VanDerWaalsContact CG2-OD1 3.24Å; T690-D692 WeakPolarHBondContact CG2-OD1 3.25Å |
| 691 | D | 34.6 | Very low | 32.2 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -106 | 97.7 | 157.5 | -72.4 | -23.3 | 0 | 0 | 0 | 106.1 | Q689 | Q689-D691 PolarHBondContact NE2-OD1 3.44Š|
| 692 | D | 33.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | trans | -76.5 | 137.2 | 175.2 | -67.8 | -57.2 | 0 | 0 | 0 | 110.1 | T690 | T690-D692 VanDerWaalsContact CG2-OD1 3.24Å; T690-D692 WeakPolarHBondContact CG2-OD1 3.25Å |
| 693 | F | 35.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | | | trans | -132.6 | 48 | 170 | -89.1 | -75.9 | 0 | 0 | 0 | 110.8 | D695 | F693-D695 PolarHBondContact O-N 3.41Š|
| 694 | D | 35.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -86.8 | 84.5 | 162.3 | -84.8 | -28.1 | 0 | 0 | 0 | 108.8 | D696 | D694-D696 VanDerWaalsContact C-N 3.25Å; D694-D696 PolarHBondContact O-N 3.46Å |
| 695 | D | 34.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -87.1 | 60.5 | -176.8 | -145.7 | -3.3 | 0 | 0 | 0 | 112 | F693 S697 | F693-D695 PolarHBondContact O-N 3.41Å; D695-S697 PolarHBondContact O-N 2.94Å |
| 696 | D | 32.3 | Very low | 32.8 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -89.3 | 70.4 | -172.2 | -151.5 | 18.3 | 0 | 0 | 0 | 111.3 | D694 | D694-D696 VanDerWaalsContact C-N 3.25Å; D694-D696 PolarHBondContact O-N 3.46Å |
| 697 | S | 32.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | | | trans | -167.3 | 81.9 | 169.7 | 51.9 | 0 | 0 | 0 | 0 | 119.3 | D695 | D695-S697 PolarHBondContact O-N 2.94Š|
| 698 | W | 34.7 | Very low | 32.3 | Very low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.924 | 75% | 0.747 | S | S | * | * | | | trans | -173.3 | 112.4 | 132.4 | 55 | -48.9 | 0 | 0 | 0 | 111.9 | | |
| 699 | I | 30.8 | Very low | 32.6 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | | 79.2 | 92.1 | 72.4 | -64.2 | 162 | 0 | 0 | 0 | 113 | | |
| 700 | T | 28 | Very low | 32.6 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 14.6 | 123 | 148.2 | 56.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 701 | R | 29.3 | Very low | 32.8 | Very low | 237 Ų | 237 | 147.4 Ų | 147.4 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | -147.4 | 121.7 | 136.8 | -111.2 | 176.2 | -167.7 | 167.8 | 5 | 111.6 | | |
| 702 | S | 28.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -67.7 | 151.7 | 152.6 | -49 | 0 | 0 | 0 | 0 | 109.1 | | |
| 703 | L | 32.7 | Very low | 32.9 | Very low | 142 Ų | 142 | 151 Ų | 151 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -163.4 | 90.7 | 153.4 | -108.9 | 161.5 | 0 | 0 | 0 | 109.6 | | |
| 704 | D | 32 | Very low | 32.6 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | 46.5 | 130.2 | 138.6 | -49.4 | -17.7 | 0 | 0 | 0 | 121.9 | | |
| 705 | S | 31.3 | Very low | 32.3 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -67.2 | 154 | 163.4 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 706 | P | 39.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | | -110.5 | 125.9 | 124.4 | 31.7 | -30.7 | 0 | 0 | 0 | 109.4 | | |
| 707 | N | 29.9 | Very low | 32 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | | | | 91.8 | 121.3 | 51.7 | -172.7 | 54.9 | 0 | 0 | 0 | 111.9 | | |
| 708 | N | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 149 Ų | 149 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | trans | 54.6 | 111 | 170.3 | -60.8 | -12 | 0 | 0 | 0 | 118.9 | | |
| 709 | Q | 37 | Very low | 31.7 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | | -156.8 | 133.8 | 88.4 | -102.4 | 171.3 | 40.6 | 0 | 0 | 111.4 | | |
| 710 | D | 30.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -73.2 | 144.4 | 176.1 | -47.3 | -86.1 | 0 | 0 | 0 | 111.2 | | |
| 711 | L | 36.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -149.5 | 79.2 | 151.7 | -145 | 79.2 | 0 | 0 | 0 | 110 | I713 | L711-I713 HydrophobicContact CD2-CD1 3.98Å; L711-I713 HydrophobicContact CD2-CG1 4.39Å; L711-I713 HydrophobicContact CG-CG1 4.4Å; L711-I713 PolarHBondContact O-N 3.23Å |
| 712 | E | 33.1 | Very low | 31.8 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -61.5 | 117.8 | 163.3 | -68.3 | -169.6 | 124.7 | 0 | 0 | 109.2 | | |
| 713 | I | 35.1 | Very low | 32.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -125.2 | 84.6 | 160 | -55.5 | -177.6 | 0 | 0 | 0 | 107.3 | L711 | L711-I713 HydrophobicContact CD2-CD1 3.98Å; L711-I713 HydrophobicContact CD2-CG1 4.39Å; L711-I713 HydrophobicContact CG-CG1 4.4Å; L711-I713 PolarHBondContact O-N 3.23Å |
| 714 | S | 30.5 | Very low | 32.1 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 134.7 | 154.5 | -70.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 715 | C | 27.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 140 Ų | 140 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | | | | -177.6 | 153.1 | 124.2 | -101.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 716 | E | 31.9 | Very low | 32.1 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 54 | 86.2 | 148 | -63.9 | 178.9 | 132 | 0 | 0 | 119.4 | E718 | E716-E718 PolarHBondContact O-N 2.97Š|
| 717 | S | 28.9 | Very low | 31.6 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | 2.7 | 104.6 | 122.6 | 169.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 718 | E | 32.4 | Very low | 31.5 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -135.4 | 146.8 | 145.8 | -162.4 | 169.2 | -139.1 | 0 | 0 | 109.5 | E716 P720 | E716-E718 PolarHBondContact O-N 2.97Å; E718-P720 WeakPolarHBondContact O-CD 3.48Å |
| 719 | I | 29.6 | Very low | 31.4 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | trans | -114.5 | 103.9 | -173.9 | -57.5 | 174 | 0 | 0 | 0 | 110.7 | | |
| 720 | P | 31.1 | Very low | 31 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -115.8 | 97.2 | 169.9 | 35.9 | -25.9 | 0 | 0 | 0 | 113.3 | E718 | E718-P720 WeakPolarHBondContact O-CD 3.48Š|
| 721 | S | 27.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | 57.6 | 131.8 | 150.4 | -160 | 0 | 0 | 0 | 0 | 121.3 | V723 | S721-V723 PolarHBondContact O-N 3.47Š|
| 722 | P | 31.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | trans | -76.5 | 79.8 | 172.9 | 33.5 | -35.4 | 0 | 0 | 0 | 112.4 | N724 | P722-N724 PolarHBondContact O-N 3.26Š|
| 723 | V | 35.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -64.9 | 123.4 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | S721 | S721-V723 PolarHBondContact O-N 3.47Š|
| 724 | N | 32.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | trans | 45.8 | 73.4 | 163.2 | -67.9 | -28.3 | 0 | 0 | 0 | 117.7 | P722 | P722-N724 PolarHBondContact O-N 3.26Š|
| 725 | K | 32.3 | Very low | 30.5 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -68.5 | 130.5 | 143 | -80.5 | -178.2 | 176.8 | 175.2 | 0 | 108.7 | N727 | K725-N727 PolarHBondContact O-N 3.1Å; K725-N727 VanDerWaalsContact O-N 3.13Å |
| 726 | P | 30.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 115.3 | 173.8 | 27.2 | -32.9 | 0 | 0 | 0 | 109.1 | L728 | P726-L728 PolarHBondContact O-N 2.96Å; P726-L728 VanDerWaalsContact O-N 3.17Å |
| 727 | N | 29 | Very low | 30.6 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | -68.4 | 113.1 | 175.4 | -130.5 | -16.2 | 0 | 0 | 0 | 108 | K725 Q729 | K725-N727 PolarHBondContact O-N 3.1Å; K725-N727 VanDerWaalsContact O-N 3.13Å; N727-Q729 PolarHBondContact O-N 2.68Å |
| 728 | L | 29 | Very low | 30.6 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 87.4 | 173.8 | -83.5 | 170.5 | 0 | 0 | 0 | 108.6 | P726 T730 | P726-L728 PolarHBondContact O-N 2.96Å; P726-L728 VanDerWaalsContact O-N 3.17Å; L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.92Å |
| 729 | Q | 28.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -68.9 | 88.3 | 179.5 | -166.9 | 172.8 | 31.3 | 0 | 0 | 109.2 | N727 W731 | N727-Q729 PolarHBondContact O-N 2.68Å; Q729-W731 PolarHBondContact O-N 3.3Å |
| 730 | T | 28.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -70.1 | 97.3 | 176.2 | 37.6 | 0 | 0 | 0 | 0 | 109.6 | L728 T732 | L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.92Å; T730-T732 PolarHBondContact O-N 3.06Å |
| 731 | W | 30.7 | Very low | 30.4 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -63.9 | 101.2 | 174.8 | -72.8 | 77.5 | 0 | 0 | 0 | 110.1 | Q729 L733 | Q729-W731 PolarHBondContact O-N 3.3Å; W731-L733 PolarHBondContact O-N 3.38Å |
| 732 | T | 31.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -70.1 | 94 | 171.2 | 41.4 | 0 | 0 | 0 | 0 | 109.3 | T730 S734 | T730-T732 PolarHBondContact O-N 3.06Å; T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 2.91Å |
| 733 | L | 31 | Very low | 30.7 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | -67.7 | 81.7 | 176.4 | -66.4 | 179.7 | 0 | 0 | 0 | 110.8 | W731 L735 | W731-L733 PolarHBondContact O-N 3.38Å; L733-L735 PolarHBondContact O-N 3.24Å |
| 734 | S | 30.9 | Very low | 30.4 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | | | trans | -68.3 | 100.9 | 172.2 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | T732 Q736 | T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 2.91Å; S734-Q736 PolarHBondContact O-N 3.06Å; S734-Q736 VanDerWaalsContact OG-CD 3.24Å; S734-Q736 WeakPolarHBondContact OG-CG 3.37Å; S734-Q736 PolarHBondContact OG-OE1 2.94Å |
| 735 | L | 31 | Very low | 30.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -75 | 60.4 | 178.1 | -67.8 | 175.1 | 0 | 0 | 0 | 111.6 | L733 | L733-L735 PolarHBondContact O-N 3.24Š|
| 736 | Q | 32.7 | Very low | 30.1 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -118.7 | 27.7 | -175.4 | -68.7 | 178 | -11 | 0 | 0 | 112.8 | S734 | S734-Q736 PolarHBondContact O-N 3.06Å; S734-Q736 VanDerWaalsContact OG-CD 3.24Å; S734-Q736 WeakPolarHBondContact OG-CG 3.37Å; S734-Q736 PolarHBondContact OG-OE1 2.94Å |
| 737 | S | 28.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | -157.7 | 67.4 | 165.4 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 738 | I | 29.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -105 | 88.5 | 153.8 | -59.2 | -177.6 | 0 | 0 | 0 | 107.2 | | |
| 739 | V | 29.6 | Very low | 30 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -61.1 | 144.1 | 167.2 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 740 | R | 29.4 | Very low | 30.2 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | trans | -47.7 | 135.5 | 179.2 | -84.5 | 172.4 | -88.6 | 156.2 | -6.7 | 111.3 | T742 | R740-T742 PolarHBondContact O-N 3.25Å; R740-T742 VanDerWaalsContact O-N 3.08Å |
| 741 | P | 28.4 | Very low | 30.3 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -63.9 | 111.6 | 162.9 | 28 | -31.9 | 0 | 0 | 0 | 108.2 | | |
| 742 | T | 34.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | | | trans | -66.2 | 136.9 | 168.8 | -8.7 | 0 | 0 | 0 | 0 | 109 | R740 S744 | R740-T742 PolarHBondContact O-N 3.25Å; R740-T742 VanDerWaalsContact O-N 3.08Å; T742-S744 PolarHBondContact O-N 3.41Å |
| 743 | E | 31.2 | Very low | 30.2 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 95% | 0.949 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -74 | 64 | 179.9 | -63.8 | -178.7 | 159.4 | 0 | 0 | 112 | | |
| 744 | S | 29.6 | Very low | 30.1 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | | | trans | -163.6 | 80.1 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | T742 | T742-S744 PolarHBondContact O-N 3.41Š|
| 745 | E | 30.9 | Very low | 30.1 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | | -176.7 | 99 | 128.5 | -104.9 | 170.1 | -164.9 | 0 | 0 | 112.9 | I747 | E745-I747 VanDerWaalsContact C-N 3.26Å; E745-I747 HydrophobicContact CB-CD1 4.49Å; E745-I747 HydrophobicContact CB-CG1 4.15Å; E745-I747 HydrophobicContact CG-CD1 4.2Å; E745-I747 HydrophobicContact CG-CG1 4.04Å; E745-I747 PolarHBondContact O-N 3.07Å; E745-I747 VanDerWaalsContact O-N 3.15Å; E745-I747 WeakPolarHBondContact OE2-CD1 3.37Å |
| 746 | S | 26.7 | Very low | 29.9 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -80.6 | 72.5 | 160.7 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | L748 | S746-L748 PolarHBondContact O-N 2.8Š|
| 747 | I | 31.6 | Very low | 29.7 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | trans | -77.3 | 71.6 | 168.3 | -58.4 | -178.7 | 0 | 0 | 0 | 109.1 | E745 | E745-I747 VanDerWaalsContact C-N 3.26Å; E745-I747 HydrophobicContact CB-CD1 4.49Å; E745-I747 HydrophobicContact CB-CG1 4.15Å; E745-I747 HydrophobicContact CG-CD1 4.2Å; E745-I747 HydrophobicContact CG-CG1 4.04Å; E745-I747 PolarHBondContact O-N 3.07Å; E745-I747 VanDerWaalsContact O-N 3.15Å; E745-I747 WeakPolarHBondContact OE2-CD1 3.37Å |
| 748 | L | 30.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | trans | -57.6 | 141.8 | 143.9 | -161.8 | 153.5 | 0 | 0 | 0 | 106.5 | S746 K750 | S746-L748 PolarHBondContact O-N 2.8Å; L748-K750 VanDerWaalsContact C-N 3.34Å; L748-K750 PolarHBondContact O-N 3.42Å |
| 749 | P | 24.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -63.8 | 91.2 | -174.8 | 25 | -35.3 | 0 | 0 | 0 | 112 | | |
| 750 | K | 32.3 | Very low | 29.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | | | trans | -135 | 71.5 | 171 | -83 | -161.4 | 168.5 | -166.9 | 0 | 110.5 | L748 | L748-K750 VanDerWaalsContact C-N 3.34Å; L748-K750 PolarHBondContact O-N 3.42Å |
| 751 | A | 30.8 | Very low | 30 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | -54.7 | 150.1 | 132.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 752 | N | 28.7 | Very low | 30 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | trans | 70.2 | 59.5 | -174.3 | -52.9 | -1.9 | 0 | 0 | 0 | 115.2 | I754 | N752-I754 HydrophobicContact CB-CD1 4.1Å; N752-I754 HydrophobicContact CB-CG1 3.94Å; N752-I754 PolarHBondContact O-N 3.09Å |
| 753 | E | 31.8 | Very low | 29.9 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | | | | -72.1 | 82.9 | 121.5 | -79.7 | -155.5 | 140.4 | 0 | 0 | 108.2 | S755 | E753-S755 PolarHBondContact O-N 2.92Š|
| 754 | I | 30 | Very low | 29.8 | Very low | 136 Ų | 136 | 133 Ų | 133 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | | | trans | -76.7 | 104.3 | 161.2 | -70.5 | 172.1 | 0 | 0 | 0 | 105.7 | N752 | N752-I754 HydrophobicContact CB-CD1 4.1Å; N752-I754 HydrophobicContact CB-CG1 3.94Å; N752-I754 PolarHBondContact O-N 3.09Å |
| 755 | S | 29.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | trans | -67.7 | -178.2 | 164.5 | -168 | 0 | 0 | 0 | 0 | 110.2 | E753 | E753-S755 PolarHBondContact O-N 2.92Š|
| 756 | C | 27.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 71.5 | 99.4 | 177.8 | -47 | 0 | 0 | 0 | 0 | 114.8 | | |
| 757 | M | 27.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -44.4 | 167.4 | 147.1 | -92.1 | 167.7 | 43.4 | 0 | 0 | 114.8 | | |
| 758 | E | 29.6 | Very low | 30.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | 85.9 | 152.5 | 153 | -77.2 | 163.7 | 139.6 | 0 | 0 | 120.1 | | |
| 759 | H | 32.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | | | trans | 63 | 97.7 | -178.1 | -51.3 | -67.3 | 0 | 0 | 0 | 115.5 | | |
| 760 | V | 28.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | cis | 66.6 | 111.9 | 45 | -169.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 761 | N | 32.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 129.8 | 148.6 | 163.6 | -74.4 | -29.5 | 0 | 0 | 0 | 113.2 | | |
| 762 | V | 30.4 | Very low | 31.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | cis | -165.7 | 158.4 | -31.5 | 95.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 763 | H | 31 | Very low | 32.2 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | | | trans | 70.6 | 136.9 | 169.2 | -81.9 | 37.4 | 0 | 0 | 0 | 117.4 | | |
| 764 | I | 30.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | | | | 77.9 | 124.6 | 53.9 | -67.8 | 171.7 | 0 | 0 | 0 | 109.7 | | |
| 765 | E | 35.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | cis | -129.6 | 148.9 | 46.1 | -71.5 | -170.3 | 125.9 | 0 | 0 | 114 | | |
| 766 | K | 33.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 74% | 0.735 | 77% | 0.772 | S | S | * | * | | | | 73.6 | 92.1 | 55.5 | -75.4 | -175.9 | -178.9 | 169.6 | 0 | 116.9 | | |
| 767 | T | 35.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | | -179.9 | 135.7 | 127.3 | 30.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 768 | K | 34.5 | Very low | 33.3 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | cis | 132.3 | 151.7 | 4 | -102.1 | -130.6 | 166.7 | -174.2 | 0 | 108.7 | | |
| 769 | P | 38.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | trans | -137.5 | 178.3 | -138.7 | 44.1 | -28 | 0 | 0 | 0 | 117.2 | | |
| 770 | S | 33.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -165.6 | 122.2 | 154.4 | 52.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 771 | E | 33.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | cis | 83.6 | 140.5 | 33.8 | -148.4 | -178.5 | -115.3 | 0 | 0 | 114.8 | | |
| 772 | S | 34 | Very low | 33.9 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 77.3 | 148.3 | -176.9 | 90.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 773 | K | 36 | Very low | 34.1 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | | | cis | -164.2 | 166 | -3.4 | -131.7 | 170.1 | -170.3 | 172.1 | 0 | 111.7 | | |
| 774 | I | 34.8 | Very low | 34.1 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 70 | 114.7 | 167.2 | -52.5 | 142 | 0 | 0 | 0 | 114.1 | | |
| 775 | Q | 31 | Very low | 34.2 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | cis | 89.5 | 91.5 | 12.8 | -159 | -173.4 | 2 | 0 | 0 | 117.7 | | |
| 776 | S | 35.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -171 | 153.2 | 149 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 777 | N | 32.8 | Very low | 33.6 | Very low | 135 Ų | 135 | 161.1 Ų | 161.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | cis | -163.8 | 111.4 | -33.7 | -173.8 | 21.1 | 0 | 0 | 0 | 108.3 | | |
| 778 | L | 36.9 | Very low | 33.4 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -160.8 | 105.1 | 165.7 | -151.1 | 70.6 | 0 | 0 | 0 | 111.9 | | |
| 779 | D | 34.4 | Very low | 33 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | trans | -66.3 | 159.4 | 167.9 | -63.4 | -69.2 | 0 | 0 | 0 | 110.6 | | |
| 780 | Y | 31 | Very low | 32.7 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | | -159.3 | 164.5 | 50.4 | -104.2 | -82.5 | 0 | 0 | 0 | 115.1 | | |
| 781 | H | 34.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 164.9 Ų | 164.9 | 61% | 0.606 | 78% | 0.783 | S | S | * | * | | | trans | 53.4 | 77.8 | 160.3 | -73.7 | -73.4 | 0 | 0 | 0 | 118.8 | E783 | H781-E783 IonicContact CE1-OE1 3.61Å; H781-E783 PolarHBondContact CE1-OE1 3.34Å; H781-E783 WeakPolarHBondContact ND1-CG 3.46Å; H781-E783 IonicContact ND1-OE1 3.87Å; H781-E783 PolarHBondContact ND1-OE1 2.85Å; H781-E783 IonicContact ND1-OE2 3.71Å |
| 782 | K | 35 | Very low | 32.4 | Very low | 214 Ų | 214 | 164 Ų | 164 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -99.6 | 94.9 | 141.4 | -98.7 | -174 | 176.8 | 176.5 | 0 | 109.8 | L784 | K782-L784 PolarHBondContact O-N 3.13Š|
| 783 | E | 35.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 164.7 Ų | 164.7 | 56% | 0.556 | 78% | 0.777 | S | S | * | * | | | trans | -93.8 | 98.1 | -176.2 | -84.4 | -162.1 | 147.7 | 0 | 0 | 114.1 | H781 W785 | H781-E783 IonicContact CE1-OE1 3.61Å; H781-E783 PolarHBondContact CE1-OE1 3.34Å; H781-E783 WeakPolarHBondContact ND1-CG 3.46Å; H781-E783 IonicContact ND1-OE1 3.87Å; H781-E783 PolarHBondContact ND1-OE1 2.85Å; H781-E783 IonicContact ND1-OE2 3.71Å; E783-W785 VanDerWaalsContact CD-CD1 3.46Å; E783-W785 PolarHBondContact O-N 2.94Å; E783-W785 PolarHBondContact OE1-NE1 3.09Å |
| 784 | L | 31.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | | | trans | -83.8 | 55.4 | 165.9 | -93.6 | 166.8 | 0 | 0 | 0 | 111.5 | K782 R786 | K782-L784 PolarHBondContact O-N 3.13Å; L784-R786 PolarHBondContact O-N 2.75Å; L784-R786 VanDerWaalsContact O-N 3.13Å |
| 785 | W | 30.8 | Very low | 31.6 | Very low | 192 Ų | 192 | 158.9 Ų | 158.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -79.3 | 98.4 | 180 | -82.5 | 69 | 0 | 0 | 0 | 112.4 | E783 | E783-W785 VanDerWaalsContact CD-CD1 3.46Å; E783-W785 PolarHBondContact O-N 2.94Å; E783-W785 PolarHBondContact OE1-NE1 3.09Å |
| 786 | R | 28.4 | Very low | 31.5 | Very low | 229 Ų | 229 | 158.5 Ų | 158.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -77.2 | 121.3 | 145.3 | -64.7 | -175.3 | -175.7 | -163.6 | 2.8 | 108.3 | L784 | L784-R786 PolarHBondContact O-N 2.75Å; L784-R786 VanDerWaalsContact O-N 3.13Å |
| 787 | R | 29.2 | Very low | 31.4 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | 155.8 | 156.9 | 138.7 | -87.9 | 163.7 | 169.6 | -180 | -3.7 | 111.9 | | |
| 788 | H | 31.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | | | trans | 66.7 | 121.6 | 172.4 | -46.2 | -64.1 | 0 | 0 | 0 | 113.7 | | |
| 789 | S | 25.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | cis | 72.9 | 45.2 | 26.3 | -38.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 790 | L | 32 | Very low | 31.4 | Very low | 155 Ų | 155 | 160.4 Ų | 160.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -121.2 | 117.2 | 147.9 | -66.9 | 168.6 | 0 | 0 | 0 | 105.2 | | |
| 791 | R | 26.5 | Very low | 31.5 | Very low | 229 Ų | 229 | 159.7 Ų | 159.7 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | | 49.4 | 69.7 | 59.7 | -80.6 | -169.5 | 174.4 | 159.2 | -1.4 | 112.7 | | |
| 792 | I | 34.5 | Very low | 31.5 | Very low | 163 Ų | 163 | 157.6 Ų | 157.6 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -120.8 | 132.3 | 144.7 | -61.2 | 174.5 | 0 | 0 | 0 | 104.9 | | |
| 793 | N | 30.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | trans | -85.7 | 144.7 | -163.3 | -57.1 | -36 | 0 | 0 | 0 | 112.4 | S795 | N793-S795 PolarHBondContact O-N 3.48Š|
| 794 | P | 27.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 154 Ų | 154 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | -76.6 | 95.7 | 153.9 | 32.3 | -28.3 | 0 | 0 | 0 | 108.1 | | |
| 795 | S | 29 | Very low | 31.8 | Very low | 72 Ų | 72 | 155.5 Ų | 155.5 | 50% | 0.503 | 76% | 0.76 | S | S | . | * | | | trans | -125.1 | 130.1 | -179.2 | -96.8 | 0 | 0 | 0 | 0 | 109.9 | N793 | N793-S795 PolarHBondContact O-N 3.48Š|
| 796 | E | 30.3 | Very low | 32 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 37.9 | 119.1 | 159.6 | -56 | 114.9 | -107 | 0 | 0 | 118.1 | | |
| 797 | S | 31.6 | Very low | 32.3 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | cis | -139 | 172.6 | 17.3 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 798 | D | 35.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | cis | -145.3 | 175.5 | 27.8 | -99.7 | -69 | 0 | 0 | 0 | 113.7 | | |
| 799 | N | 35.1 | Very low | 32.8 | Very low | 118 Ų | 118 | 145 Ų | 145 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | trans | -48.5 | 148.1 | 173.2 | -63.5 | -80.3 | 0 | 0 | 0 | 112.7 | | |
| 800 | Y | 33.4 | Very low | 33.3 | Very low | 224 Ų | 224 | 147.5 Ų | 147.5 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | | | cis | -145.1 | 164.4 | 46.7 | -91.5 | -94.1 | 0 | 0 | 0 | 115.5 | | |
| 801 | Q | 33.3 | Very low | 33.3 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -73.3 | 148.1 | 177.2 | -55.6 | 174.4 | -2.9 | 0 | 0 | 113 | | |
| 802 | A | 34.8 | Very low | 33.8 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | | 167.4 | 124.6 | 110.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 803 | T | 36.4 | Very low | 33.7 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | | 43.4 | 129.7 | 121.1 | -51.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 804 | Q | 36 | Very low | 34.1 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | cis | -172.4 | 169.1 | -7.7 | -114.9 | -178.4 | 30.6 | 0 | 0 | 108.3 | | |
| 805 | R | 36.4 | Very low | 34.2 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | trans | 68.7 | 113.7 | 167.1 | -58.2 | 142.8 | -155.4 | -178 | 5.7 | 114.7 | | |
| 806 | N | 33.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | cis | 72.2 | 96.2 | 30 | -164.4 | 7.3 | 0 | 0 | 0 | 115.1 | | |
| 807 | L | 34.7 | Very low | 34.4 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | | -156.3 | 136.2 | 127.1 | -136.8 | 70.1 | 0 | 0 | 0 | 114 | | |
| 808 | N | 36.2 | Very low | 34.5 | Very low | 114 Ų | 114 | 158.6 Ų | 158.6 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | trans | -63.5 | 165.1 | 162 | -70.4 | -58.8 | 0 | 0 | 0 | 111.3 | | |
| 809 | Q | 36.8 | Very low | 34.4 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | cis | -153.4 | -148.9 | -5.6 | -114.9 | 158.3 | 35.6 | 0 | 0 | 107.1 | | |
| 810 | F | 34.2 | Very low | 34.2 | Very low | 167 Ų | 167 | 158.8 Ų | 158.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | cis | -157.2 | 177.1 | 8.3 | -133.3 | -71 | 0 | 0 | 0 | 108.2 | | |
| 811 | N | 32.9 | Very low | 34.1 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -126.1 | 147.8 | 164.8 | -80.3 | -69.9 | 0 | 0 | 0 | 110.2 | | |
| 812 | D | 37 | Very low | 33.8 | Very low | 155 Ų | 155 | 156.5 Ų | 156.5 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | | -170.7 | 162 | 128.2 | -113.6 | -40.1 | 0 | 0 | 0 | 117.5 | | |
| 813 | R | 32.5 | Very low | 33.7 | Very low | 221 Ų | 221 | 162 Ų | 162 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | -172.2 | -174.3 | -79.1 | 169.1 | 122.9 | -172.2 | 0.5 | 115.9 | | |
| 814 | P | 39.2 | Very low | 33.6 | Very low | 97 Ų | 97 | 161.7 Ų | 161.7 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | | | cis | -141.8 | -171 | -46.6 | 41.3 | -24 | 0 | 0 | 0 | 114.4 | | |
| 815 | N | 29.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 166.9 Ų | 166.9 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | 56.9 | 113 | 149.2 | -67.6 | -10.1 | 0 | 0 | 0 | 121.7 | | |
| 816 | Q | 34.3 | Very low | 32.9 | Very low | 203 Ų | 203 | 164 Ų | 164 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | | | | -154.2 | 163.1 | 127 | -116.3 | 174.8 | 63.6 | 0 | 0 | 112.1 | | |
| 817 | R | 29.7 | Very low | 32.8 | Very low | 238 Ų | 238 | 163 Ų | 163 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -99 | 125 | -167.2 | -66.9 | 157.4 | 66.7 | 179.3 | 3 | 112 | | |
| 818 | L | 33.8 | Very low | 32.6 | Very low | 181 Ų | 181 | 159.4 Ų | 159.4 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | | | trans | -138.2 | 150.8 | 149.9 | -77 | -179.5 | 0 | 0 | 0 | 109.1 | | |
| 819 | S | 31.9 | Very low | 32.3 | Very low | 102 Ų | 102 | 164.4 Ų | 164.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -132.2 | 131.8 | -154.4 | 54 | 0 | 0 | 0 | 0 | 115 | | |
| 820 | L | 31 | Very low | 31.9 | Very low | 158 Ų | 158 | 166.6 Ų | 166.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | 67 | 166.6 | 158.1 | -70.6 | 168.3 | 0 | 0 | 0 | 115.5 | | |
| 821 | P | 31.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 163.9 Ų | 163.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | cis | -108 | 166.6 | 3.2 | 39.5 | -30.3 | 0 | 0 | 0 | 115.8 | | |
| 822 | R | 27.1 | Very low | 31.7 | Very low | 232 Ų | 232 | 165 Ų | 165 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | | | trans | -114.4 | 162.6 | 169.9 | -87.7 | -177.6 | 171.2 | 154.3 | -3.6 | 110.4 | | |
| 823 | K | 33.3 | Very low | 31.2 | Very low | 203 Ų | 203 | 160.7 Ų | 160.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | 86.4 | 154.9 | 175.3 | -64.3 | -175.7 | 175.4 | -179.2 | 0 | 115.2 | | |
| 824 | P | 33.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 156.2 Ų | 156.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | cis | -136.8 | 159.7 | -35.7 | 35.5 | -20.6 | 0 | 0 | 0 | 113.4 | | |
| 825 | R | 30.1 | Very low | 30.6 | Very low | 243 Ų | 243 | 157.7 Ų | 157.7 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | | | trans | -148.3 | 133.3 | 150.1 | -144.8 | 163.3 | -174.2 | 151.4 | 1.1 | 113 | | |
| 826 | N | 27.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -89 | 126.1 | 175.3 | 172.5 | 6.8 | 0 | 0 | 0 | 108.8 | | |
| 827 | T | 32.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 69% | 0.693 | 81% | 0.813 | S | S | * | * | | | trans | -143.9 | 122.9 | 164.6 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 828 | S | 29 | Very low | 30.6 | Very low | 89 Ų | 89 | 151.3 Ų | 151.3 | 62% | 0.622 | 81% | 0.812 | S | S | * | * | | | trans | -43.5 | 138.9 | 160.1 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 829 | R | 30.8 | Very low | 30.9 | Very low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -136.8 | 104.3 | 148.4 | -73.2 | -165.7 | 179.2 | -172.6 | -0.2 | 109.5 | S831 | R829-S831 PolarHBondContact O-N 2.96Š|
| 830 | F | 28.2 | Very low | 31.6 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -61.9 | 110.1 | 150.9 | -76.4 | -97.1 | 0 | 0 | 0 | 107.4 | | |
| 831 | S | 32.2 | Very low | 32.2 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -99.4 | 84.3 | 172.2 | -75.7 | 0 | 0 | 0 | 0 | 109.1 | R829 | R829-S831 PolarHBondContact O-N 2.96Š|
| 832 | I | 30.6 | Very low | 33 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -65.9 | 132.2 | 169.6 | -65.1 | 167.5 | 0 | 0 | 0 | 108.3 | | |
| 833 | G | 26.9 | Very low | 34.3 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | trans | 97.2 | 95.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 834 | S | 30.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | | | | -163.6 | 145.1 | 122.1 | -81.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 835 | S | 28.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 90% | 0.895 | 72% | 0.716 | S | S | * | * | | | trans | -89.7 | 107.3 | -172.5 | 158.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 836 | S | 27.6 | Very low | 38.2 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | | | trans | -169.8 | 139.3 | 151.4 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 837 | E | 30.6 | Very low | 39.9 | Very low | 190 Ų | 190 | 122.2 Ų | 122.2 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | | | trans | 51.2 | 86.5 | 160.2 | -60.4 | -174.1 | 146.3 | 0 | 0 | 117.2 | D839 | E837-D839 VanDerWaalsContact C-N 3.35Å; E837-D839 PolarHBondContact O-N 3.42Å |
| 838 | L | 36.2 | Very low | 41.1 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 88% | 0.88 | 66% | 0.663 | S | S | * | * | | | trans | -76.3 | 80.1 | 170.8 | -122.5 | 154.9 | 0 | 0 | 0 | 110.4 | T840 | L838-T840 PolarHBondContact O-N 3.16Š|
| 839 | D | 40.3 | Very low | 42.4 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | | | trans | -62.5 | 120.9 | 170.3 | -168.5 | 19.4 | 0 | 0 | 0 | 109 | E837 | E837-D839 VanDerWaalsContact C-N 3.35Å; E837-D839 PolarHBondContact O-N 3.42Å |
| 840 | T | 46.9 | Very low | 43.3 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 47% | 0.472 | 66% | 0.655 | S | S | . | * | | | trans | -76.5 | 135.5 | -168.8 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | M113 L838 K842 | M113-T840 HydrophobicContact CE-CG2 4.09Å; L838-T840 PolarHBondContact O-N 3.16Å; T840-K842 PolarHBondContact O-N 3.34Å |
| 841 | P | 42.3 | Very low | 44.8 | Very low | 75 Ų | 75 | 116 Ų | 116 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | | | trans | -69 | 95.4 | -175.4 | 27.7 | -35 | 0 | 0 | 0 | 110.4 | S843 T857 | P841-S843 PolarHBondContact O-N 3.22Å; P841-S843 VanDerWaalsContact O-N 3.11Å; P841-T857 HydrophobicContact CB-CG2 3.95Å; P841-T857 HydrophobicContact CG-CG2 4.25Å |
| 842 | K | 47.9 | Very low | 45.8 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | | | trans | -54.3 | 117.3 | 178.7 | -77.9 | 167.7 | 179.7 | 142.3 | 0 | 110.4 | T840 R844 G858 | T840-K842 PolarHBondContact O-N 3.34Å; K842-R844 PolarHBondContact O-N 3.23Å; K842-G858 PolarHBondContact O-N 3.38Å |
| 843 | S | 54.4 | Low | 47.3 | Very low | 59 Ų | 59 | 107 Ų | 107 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65 | 116.2 | 170.2 | 39.9 | 0 | 0 | 0 | 0 | 109 | P841 H856 | P841-S843 PolarHBondContact O-N 3.22Å; P841-S843 VanDerWaalsContact O-N 3.11Å; S843-H856 CarbonylContact C-O 3.52Å; S843-H856 WeakPolarHBondContact CA-O 3.08Å |
| 844 | R | 54.9 | Low | 49.5 | Very low | 209 Ų | 209 | 105 Ų | 105 | 79% | 0.789 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77 | -27.7 | 179.2 | -71.9 | -179.1 | 65.5 | -175.5 | -2.1 | 112 | K842 H856 G858 | K842-R844 PolarHBondContact O-N 3.23Å; R844-H856 PolarHBondContact N-O 3.1Å; R844-G858 VanDerWaalsContact CD-CA 3.5Å |
| 845 | S | 61 | Low | 51.3 | Low | 37 Ų | 37 | 99.1 Ų | 99.1 | 26% | 0.259 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.9 | 169.4 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | H847 H856 | S845-H847 WeakPolarHBondContact CB-NE2 3.37Å; S845-H847 PolarHBondContact OG-NE2 2.99Å; S845-H856 PolarHBondContact O-N 3.39Å |
| 846 | V | 64.1 | Low | 53 | Low | 41 Ų | 41 | 97.2 Ų | 97.2 | 25% | 0.248 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127 | 169.5 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | L853 V854 A855 | V846-L853 HydrophobicContact CG1-CD2 3.8Å; V846-V854 WeakPolarHBondContact CA-O 3.41Å; V846-A855 HydrophobicContact CG2-CB 4.01Å |
| 847 | H | 63.3 | Low | 54.4 | Low | 113 Ų | 113 | 93.6 Ų | 93.6 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.1 | -179.3 | -61.1 | -56.3 | 0 | 0 | 0 | 110.5 | S845 V854 | S845-H847 WeakPolarHBondContact CB-NE2 3.37Å; S845-H847 PolarHBondContact OG-NE2 2.99Å; H847-V854 PolarHBondContact N-O 3.28Å; H847-V854 PolarHBondContact O-N 3.08Å |
| 848 | F | 56.2 | Low | 55.3 | Low | 120 Ų | 120 | 86.6 Ų | 86.6 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.5 | 167.2 | -75.5 | -88.6 | 0 | 0 | 0 | 109.1 | L853 | F848-L853 HydrophobicContact CD1-CD2 4.1Å; F848-L853 HydrophobicContact CD1-CG 4.16Å; F848-L853 HydrophobicContact CD2-CD2 4.13Å; F848-L853 HydrophobicContact CE1-CD1 4.3Å; F848-L853 HydrophobicContact CE1-CD2 3.78Å; F848-L853 HydrophobicContact CE1-CG 3.72Å; F848-L853 HydrophobicContact CE2-CD2 3.81Å; F848-L853 HydrophobicContact CG-CD2 4.28Å; F848-L853 HydrophobicContact CZ-CD1 4.32Å; F848-L853 HydrophobicContact CZ-CD2 3.63Å; F848-L853 HydrophobicContact CZ-CG 3.98Å |
| 849 | S | 58.1 | Low | 55.9 | Low | 70 Ų | 70 | 84 Ų | 84 | 49% | 0.49 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 117.3 | 171.1 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | D851 V852 | S849-D851 PolarHBondContact O-N 3.38Å; S849-V852 PolarHBondContact N-O 2.85Å; S849-V852 PolarHBondContact O-N 2.79Å; S849-V852 VanDerWaalsContact O-N 3.1Å |
| 850 | N | 49.2 | Very low | 56.2 | Low | 148 Ų | 148 | 79.6 Ų | 79.6 | 79% | 0.791 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.3 | 64.2 | -178.9 | -59.2 | -1.6 | 0 | 0 | 0 | 112.5 | V852 | N850-V852 PolarHBondContact O-N 3.24Š|
| 851 | D | 58.7 | Low | 56.3 | Low | 140 Ų | 140 | 82.5 Ų | 82.5 | 75% | 0.749 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -0.4 | 177.8 | -49.7 | -49.1 | 0 | 0 | 0 | 116.9 | S849 | S849-D851 PolarHBondContact O-N 3.38Š|
| 852 | V | 53.4 | Low | 56.6 | Low | 45 Ų | 45 | 86.4 Ų | 86.4 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.3 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | S849 N850 V854 L865 | S849-V852 PolarHBondContact N-O 2.85Å; S849-V852 PolarHBondContact O-N 2.79Å; S849-V852 VanDerWaalsContact O-N 3.1Å; N850-V852 PolarHBondContact O-N 3.24Å; V852-V854 HydrophobicContact CG1-CG2 4.11Å; V852-L865 HydrophobicContact CG1-CD2 4.12Å |
| 853 | L | 63.4 | Low | 56.7 | Low | 43 Ų | 43 | 81.6 Ų | 81.6 | 23% | 0.225 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.4 | 167.5 | -87.4 | 166.6 | 0 | 0 | 0 | 110 | V846 F848 L866 | V846-L853 HydrophobicContact CG1-CD2 3.8Å; F848-L853 HydrophobicContact CD1-CD2 4.1Å; F848-L853 HydrophobicContact CD1-CG 4.16Å; F848-L853 HydrophobicContact CD2-CD2 4.13Å; F848-L853 HydrophobicContact CE1-CD1 4.3Å; F848-L853 HydrophobicContact CE1-CD2 3.78Å; F848-L853 HydrophobicContact CE1-CG 3.72Å; F848-L853 HydrophobicContact CE2-CD2 3.81Å; F848-L853 HydrophobicContact CG-CD2 4.28Å; F848-L853 HydrophobicContact CZ-CD1 4.32Å; F848-L853 HydrophobicContact CZ-CD2 3.63Å; F848-L853 HydrophobicContact CZ-CG 3.98Å; L853-L866 HydrophobicContact CB-CB 4.37Å; L853-L866 PolarHBondContact O-N 3.25Å |
| 854 | V | 72.6 | Confident | 56.7 | Low | 22 Ų | 22 | 83 Ų | 83 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.6 | -178 | -174 | 0 | 0 | 0 | 0 | 109.3 | V846 H847 V852 P863 L865 | V846-V854 WeakPolarHBondContact CA-O 3.41Å; H847-V854 PolarHBondContact N-O 3.28Å; H847-V854 PolarHBondContact O-N 3.08Å; V852-V854 HydrophobicContact CG1-CG2 4.11Å; V854-P863 HydrophobicContact CG1-CB 3.66Å; V854-P863 HydrophobicContact CG1-CG 4.26Å; V854-L865 HydrophobicContact CG2-CD2 4.42Å |
| 855 | A | 68.3 | Low | 56.7 | Low | 4 Ų | 4 | 78.4 Ų | 78.4 | 3% | 0.033 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V846 L864 L866 | V846-A855 HydrophobicContact CG2-CB 4.01Å; A855-L864 PolarHBondContact N-O 3.43Å; A855-L864 PolarHBondContact O-N 3.39Å; A855-L866 HydrophobicContact CB-CD1 3.57Å; A855-L866 HydrophobicContact CB-CD2 4.4Å; A855-L866 HydrophobicContact CB-CG 3.83Å |
| 856 | H | 64.5 | Low | 56.5 | Low | 88 Ų | 88 | 80.6 Ų | 80.6 | 41% | 0.407 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 104.5 | 176.2 | -66 | -80.7 | 0 | 0 | 0 | 110.4 | S843 R844 S845 | S843-H856 CarbonylContact C-O 3.52Å; S843-H856 WeakPolarHBondContact CA-O 3.08Å; R844-H856 PolarHBondContact N-O 3.1Å; S845-H856 PolarHBondContact O-N 3.39Å |
| 857 | T | 56.8 | Low | 55.5 | Low | 25 Ų | 25 | 80.8 Ų | 80.8 | 15% | 0.153 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139.9 | 166 | 52.7 | 0 | 0 | 0 | 0 | 109.4 | P841 S859 L864 | P841-T857 HydrophobicContact CB-CG2 3.95Å; P841-T857 HydrophobicContact CG-CG2 4.25Å; T857-S859 PolarHBondContact O-N 3.13Å; T857-L864 HydrophobicContact CG2-CD1 3.7Å; T857-L864 HydrophobicContact CG2-CG 4.28Å |
| 858 | G | 49.7 | Very low | 54.4 | Low | 43 Ų | 43 | 80.6 Ų | 80.6 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 3.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | K842 R844 | K842-G858 PolarHBondContact O-N 3.38Å; R844-G858 VanDerWaalsContact CD-CA 3.5Å |
| 859 | S | 47.9 | Very low | 53.3 | Low | 113 Ų | 113 | 78 Ų | 78 | 79% | 0.79 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.6 | 11.9 | -168.3 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | T857 | T857-S859 PolarHBondContact O-N 3.13Š|
| 860 | G | 46.5 | Very low | 52.2 | Low | 39 Ų | 39 | 80.4 Ų | 80.4 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | | | trans | -110.4 | 145.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E862 | G860-E862 VanDerWaalsContact C-N 3.29Š|
| 861 | P | 49.4 | Very low | 51.6 | Low | 139 Ų | 139 | 79.2 Ų | 79.2 | 90% | 0.903 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -77.9 | -12.1 | 175.1 | 32.7 | -35.6 | 0 | 0 | 0 | 113.7 | | |
| 862 | E | 47.9 | Very low | 50.8 | Low | 157 Ų | 157 | 82.2 Ų | 82.2 | 73% | 0.734 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -118.2 | 133.7 | 179.4 | -64.7 | -175 | 148.2 | 0 | 0 | 110.3 | G860 | G860-E862 VanDerWaalsContact C-N 3.29Š|
| 863 | P | 50.7 | Low | 49.9 | Very low | 59 Ų | 59 | 89 Ų | 89 | 38% | 0.383 | 52% | 0.519 | S | S | . | . | | | trans | -73.1 | 140.5 | 170.4 | 31.8 | -33.4 | 0 | 0 | 0 | 110.1 | V854 L865 | V854-P863 HydrophobicContact CG1-CB 3.66Å; V854-P863 HydrophobicContact CG1-CG 4.26Å; P863-L865 PolarHBondContact O-N 3.06Å |
| 864 | L | 54.4 | Low | 48.6 | Very low | 89 Ų | 89 | 92.7 Ų | 92.7 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.2 | 173.9 | -65.3 | 178.6 | 0 | 0 | 0 | 109.1 | A855 T857 L866 | A855-L864 PolarHBondContact N-O 3.43Å; A855-L864 PolarHBondContact O-N 3.39Å; T857-L864 HydrophobicContact CG2-CD1 3.7Å; T857-L864 HydrophobicContact CG2-CG 4.28Å; L864-L866 HydrophobicContact CB-CD2 3.97Å; L864-L866 PolarHBondContact O-N 3.2Å |
| 865 | L | 54.8 | Low | 46.6 | Very low | 111 Ų | 111 | 95.9 Ų | 95.9 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 104 | 167.7 | -56.4 | -179.8 | 0 | 0 | 0 | 107.8 | V852 V854 P863 S867 | V852-L865 HydrophobicContact CG1-CD2 4.12Å; V854-L865 HydrophobicContact CG2-CD2 4.42Å; P863-L865 PolarHBondContact O-N 3.06Å; L865-S867 VanDerWaalsContact C-N 3.34Å |
| 866 | L | 56 | Low | 45 | Very low | 84 Ų | 84 | 100.2 Ų | 100.2 | 44% | 0.44 | 61% | 0.607 | S | S | . | * | | | trans | -83.3 | -9.2 | -172.5 | -65.4 | -172.6 | 0 | 0 | 0 | 114 | L853 A855 L864 | L853-L866 HydrophobicContact CB-CB 4.37Å; L853-L866 PolarHBondContact O-N 3.25Å; A855-L866 HydrophobicContact CB-CD1 3.57Å; A855-L866 HydrophobicContact CB-CD2 4.4Å; A855-L866 HydrophobicContact CB-CG 3.83Å; L864-L866 HydrophobicContact CB-CD2 3.97Å; L864-L866 PolarHBondContact O-N 3.2Å |
| 867 | S | 43.4 | Very low | 43.5 | Very low | 45 Ų | 45 | 103.9 Ų | 103.9 | 32% | 0.315 | 63% | 0.63 | S | S | . | * | | | trans | -157.6 | 124.1 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L865 A869 | L865-S867 VanDerWaalsContact C-N 3.34Å; S867-A869 WeakPolarHBondContact OG-CB 3.14Å; S867-A869 PolarHBondContact OG-N 2.96Å; S867-A869 VanDerWaalsContact OG-N 3.07Å; S867-A869 PolarHBondContact OG-O 3.49Å |
| 868 | S | 39.7 | Very low | 42.4 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | | | trans | -95.9 | 1.6 | 161 | -45 | 0 | 0 | 0 | 0 | 112.2 | | |
| 869 | A | 34.4 | Very low | 41.8 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -75.9 | 128.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S867 L871 | S867-A869 WeakPolarHBondContact OG-CB 3.14Å; S867-A869 PolarHBondContact OG-N 2.96Å; S867-A869 VanDerWaalsContact OG-N 3.07Å; S867-A869 PolarHBondContact OG-O 3.49Å; A869-L871 PolarHBondContact O-N 3.02Å |
| 870 | P | 33.7 | Very low | 41.1 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.5 | 174.4 | 25.7 | -32.9 | 0 | 0 | 0 | 108.8 | K872 | P870-K872 PolarHBondContact O-N 3.25Š|
| 871 | L | 38.5 | Very low | 40.6 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.5 | 159.9 | -73.3 | 167.1 | 0 | 0 | 0 | 106 | A869 E873 | A869-L871 PolarHBondContact O-N 3.02Å; L871-E873 PolarHBondContact O-N 2.91Å; L871-E873 VanDerWaalsContact O-N 3.08Å |
| 872 | K | 41.3 | Very low | 39.9 | Very low | 204 Ų | 204 | 125.7 Ų | 125.7 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 122.9 | 178.3 | -84.9 | -171 | 169 | -167.5 | 0 | 108.5 | P870 S874 | P870-K872 PolarHBondContact O-N 3.25Å; K872-S874 PolarHBondContact O-N 2.78Å |
| 873 | E | 34.7 | Very low | 39.1 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 136.4 | 170.4 | -65.5 | 175.7 | 143.9 | 0 | 0 | 108.4 | L871 A875 | L871-E873 PolarHBondContact O-N 2.91Å; L871-E873 VanDerWaalsContact O-N 3.08Å; E873-A875 PolarHBondContact O-N 3.35Å |
| 874 | S | 36.4 | Very low | 38.3 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | | | trans | -56.6 | 110.5 | 173.2 | -59.4 | 0 | 0 | 0 | 0 | 107.5 | K872 S876 | K872-S874 PolarHBondContact O-N 2.78Å; S874-S876 PolarHBondContact O-N 3.44Å |
| 875 | A | 30.1 | Very low | 37.2 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -56.2 | 119 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E873 D877 | E873-A875 PolarHBondContact O-N 3.35Å; A875-D877 PolarHBondContact O-N 3.47Å |
| 876 | S | 33.6 | Very low | 36.2 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | trans | -66.2 | 120.4 | 168.7 | 46.5 | 0 | 0 | 0 | 0 | 107.9 | S874 D878 | S874-S876 PolarHBondContact O-N 3.44Å; S876-D878 PolarHBondContact O-N 2.84Å |
| 877 | D | 34.6 | Very low | 35 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -72.8 | 63.7 | 170.9 | -77.5 | -46.2 | 0 | 0 | 0 | 110.2 | A875 | A875-D877 PolarHBondContact O-N 3.47Š|
| 878 | D | 33.6 | Very low | 34.5 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -142.5 | 150.3 | 175.6 | -85.1 | -56.4 | 0 | 0 | 0 | 110.2 | S876 | S876-D878 PolarHBondContact O-N 2.84Š|
| 879 | E | 36.9 | Very low | 34.2 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | 65 | 61.6 | 175.2 | -51.4 | -138.1 | 137.8 | 0 | 0 | 117.6 | E881 | E879-E881 PolarHBondContact O-N 3.02Š|
| 880 | Q | 32.6 | Very low | 34 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 104.5 | 154.1 | 175.5 | -164.3 | -23.5 | 0 | 0 | 110.6 | | |
| 881 | E | 36 | Very low | 34.1 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | -166.6 | 151.4 | 141.4 | -111.5 | -161 | 126.4 | 0 | 0 | 117.2 | E879 | E879-E881 PolarHBondContact O-N 3.02Š|
| 882 | Q | 33.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | 58.1 | 100.3 | 148.9 | -71.5 | -170.4 | 46.4 | 0 | 0 | 122.7 | | |
| 883 | I | 32.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | | 151.5 | 134.7 | 111.1 | -80.1 | 148.5 | 0 | 0 | 0 | 112.8 | | |
| 884 | G | 32.7 | Very low | 33.1 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | 107.4 | 101.9 | 160 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 885 | K | 32.4 | Very low | 32.9 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | | | trans | -109 | 160.5 | 160.8 | -71.7 | -175.6 | 178 | 179.7 | 0 | 109.7 | | |
| 886 | P | 32.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | | -126.4 | 177.8 | 114.4 | 36.8 | -32.8 | 0 | 0 | 0 | 113.2 | | |
| 887 | S | 31.3 | Very low | 32.6 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | | | trans | -153.7 | 139.7 | -172.6 | 170 | 0 | 0 | 0 | 0 | 111.1 | | |
| 888 | Y | 33.5 | Very low | 32.4 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -129.5 | 101.5 | 168.8 | -69 | -95.1 | 0 | 0 | 0 | 107.8 | | |
| 889 | F | 32.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | | 65.8 | 125.8 | 91.4 | -86.9 | -86.6 | 0 | 0 | 0 | 113.4 | | |
| 890 | T | 31.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | cis | 147.9 | 120.9 | -11.5 | -85.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 891 | K | 35.1 | Very low | 31.7 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | 173.8 | 136 | 162.5 | -101.8 | 163.2 | -175.3 | 179.4 | 0 | 107.2 | | |
| 892 | L | 32.2 | Very low | 31.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | -128.8 | 156.7 | 2.2 | -72.1 | 161.9 | 0 | 0 | 0 | 110.3 | | |
| 893 | S | 29.6 | Very low | 31.6 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -108 | 145.7 | 167.3 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 894 | V | 31.7 | Very low | 31.5 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | -140.4 | 119.7 | 162.7 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 895 | D | 33.1 | Very low | 31.5 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | 35.6 | 116.9 | 154.9 | -62.2 | -45.3 | 0 | 0 | 0 | 121.4 | | |
| 896 | C | 26.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 143 Ų | 143 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | 85.9 | 118.7 | 63.9 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 897 | G | 30.7 | Very low | 31.9 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | | | trans | 173.3 | 94.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 898 | Y | 28.6 | Very low | 32.2 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -51.4 | 145.3 | 166.8 | -71.3 | -105.2 | 0 | 0 | 0 | 110.3 | | |
| 899 | N | 32.2 | Very low | 31.9 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | | -162 | 171.7 | 71.6 | -136 | -35.3 | 0 | 0 | 0 | 115.1 | | |
| 900 | M | 28.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -100.1 | 177 | -175.5 | -64.9 | -158.3 | 76.8 | 0 | 0 | 114.7 | | |
| 901 | S | 29.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | 88.9 | 160 | 158.9 | 79.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 902 | N | 36.4 | Very low | 31.6 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | 73.2 | 64.1 | 178.6 | -50.5 | -41.9 | 0 | 0 | 0 | 114.7 | | |
| 903 | F | 29.9 | Very low | 31.6 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | | 65.8 | 132.7 | 67.1 | -116.3 | -78.5 | 0 | 0 | 0 | 115.6 | | |
| 904 | S | 30.5 | Very low | 31.6 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | trans | 63.4 | 98.8 | 160.6 | 64.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 905 | K | 33.8 | Very low | 31.5 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | | -177.3 | 107.2 | 107.4 | -97.1 | 158.3 | -174.5 | 169.4 | 0 | 112.4 | | |
| 906 | P | 38.8 | Very low | 31.5 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -81.2 | 142 | 159.7 | 33.8 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 907 | P | 33.2 | Very low | 31.7 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | | | trans | -135.8 | 131.6 | 159.9 | 24.4 | -3.9 | 0 | 0 | 0 | 114.7 | | |
| 908 | K | 37.6 | Very low | 31.6 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | 70.5 | 83.4 | 146.3 | -58.5 | 171.5 | -175.8 | 179.5 | 0 | 116.9 | R910 | K908-R910 PolarHBondContact O-N 3.44Š|
| 909 | S | 27.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -42.4 | 132.2 | 130.5 | 42.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 910 | R | 32.4 | Very low | 31.6 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -125.7 | 96 | 171.9 | -170 | 174.5 | -177 | 176.6 | 0.3 | 109.5 | K908 | K908-R910 PolarHBondContact O-N 3.44Š|
| 911 | T | 28.7 | Very low | 31.9 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 133.4 | 178.5 | -16.7 | 0 | 0 | 0 | 0 | 111.1 | I913 | T911-I913 HydrophobicContact CG2-CD1 3.84Å; T911-I913 HydrophobicContact CG2-CG1 3.71Å |
| 912 | N | 32.9 | Very low | 31.9 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -159.1 | 89 | 165.2 | -139.5 | 20.3 | 0 | 0 | 0 | 104.6 | | |
| 913 | I | 30.2 | Very low | 31.6 | Very low | 110 Ų | 110 | 150 Ų | 150 | 56% | 0.564 | 79% | 0.788 | S | S | * | * | | | | 53.3 | 125.8 | 58.6 | -39.4 | -180 | 0 | 0 | 0 | 110.5 | T911 | T911-I913 HydrophobicContact CG2-CD1 3.84Å; T911-I913 HydrophobicContact CG2-CG1 3.71Å |
| 914 | N | 30.1 | Very low | 31.7 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | 63.5 | 82.8 | 172.3 | -59.2 | -22.6 | 0 | 0 | 0 | 118.4 | | |
| 915 | R | 30.3 | Very low | 31.9 | Very low | 247 Ų | 247 | 155.1 Ų | 155.1 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | | | | -158.7 | 154.7 | 114.3 | -108.2 | 177.5 | 172.1 | 150.9 | 2.5 | 111 | | |
| 916 | P | 32.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 153 Ų | 153 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 148.2 | -153 | 31.8 | -36.8 | 0 | 0 | 0 | 114.2 | A918 | P916-A918 PolarHBondContact O-N 3.35Š|
| 917 | S | 30.3 | Very low | 31.4 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 120.4 | 153.6 | -43.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 918 | A | 30.3 | Very low | 31.4 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P916 | P916-A918 PolarHBondContact O-N 3.35Š|
| 919 | P | 31.6 | Very low | 31 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 149.9 | -172.9 | 29.2 | -35.2 | 0 | 0 | 0 | 112.3 | | |
| 920 | L | 29.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.2 | 171.4 | -67.3 | 148.8 | 0 | 0 | 0 | 110.9 | F922 | L920-F922 HydrophobicContact CB-CD2 3.69Å; L920-F922 HydrophobicContact CB-CE2 4.3Å; L920-F922 HydrophobicContact CD1-CD2 4Å; L920-F922 HydrophobicContact CD1-CE2 4.01Å; L920-F922 HydrophobicContact CD2-CD2 4.46Å; L920-F922 HydrophobicContact CD2-CE2 4.24Å; L920-F922 HydrophobicContact CG-CD2 4.26Å; L920-F922 HydrophobicContact CG-CE2 4.42Å; L920-F922 PolarHBondContact O-N 3.43Å |
| 921 | P | 33.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | | | trans | -76.7 | 56.3 | 169.5 | 33.8 | -35.7 | 0 | 0 | 0 | 111.2 | | |
| 922 | F | 30.6 | Very low | 32 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | | | trans | -74.9 | 155.2 | 166 | -90.3 | -65.3 | 0 | 0 | 0 | 110.7 | L920 | L920-F922 HydrophobicContact CB-CD2 3.69Å; L920-F922 HydrophobicContact CB-CE2 4.3Å; L920-F922 HydrophobicContact CD1-CD2 4Å; L920-F922 HydrophobicContact CD1-CE2 4.01Å; L920-F922 HydrophobicContact CD2-CD2 4.46Å; L920-F922 HydrophobicContact CD2-CE2 4.24Å; L920-F922 HydrophobicContact CG-CD2 4.26Å; L920-F922 HydrophobicContact CG-CE2 4.42Å; L920-F922 PolarHBondContact O-N 3.43Å |
| 923 | R | 30.9 | Very low | 32.2 | Very low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | 71.8 | 82.8 | 157.9 | -159.8 | -177.7 | -162.6 | 173.1 | 5.8 | 117.2 | | |
| 924 | R | 31.5 | Very low | 32.7 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | | -166.6 | 57.8 | 124.6 | -104 | 171.8 | -162.4 | -144.1 | 5.4 | 112.9 | F926 | R924-F926 HydrophobicContact CB-CE2 4.19Å; R924-F926 HydrophobicContact CG-CD2 4.49Å; R924-F926 HydrophobicContact CG-CE2 3.85Å; R924-F926 HydrophobicContact CG-CZ 4.22Å; R924-F926 PolarHBondContact O-N 3.32Å |
| 925 | Q | 33.6 | Very low | 33.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -75.2 | 108 | 152.6 | -81.6 | -172.9 | -16.1 | 0 | 0 | 107.7 | V927 | Q925-V927 PolarHBondContact O-N 2.68Š|
| 926 | F | 31.6 | Very low | 33.6 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | | | trans | -76.6 | 95.8 | 168.9 | -76.4 | -89.8 | 0 | 0 | 0 | 108.6 | R924 L928 | R924-F926 HydrophobicContact CB-CE2 4.19Å; R924-F926 HydrophobicContact CG-CD2 4.49Å; R924-F926 HydrophobicContact CG-CE2 3.85Å; R924-F926 HydrophobicContact CG-CZ 4.22Å; R924-F926 PolarHBondContact O-N 3.32Å; F926-L928 PolarHBondContact O-N 3.38Å |
| 927 | V | 31.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | | | trans | -73.9 | 83.3 | 163.6 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | Q925 N929 | Q925-V927 PolarHBondContact O-N 2.68Å; V927-N929 WeakPolarHBondContact CG1-OD1 3.27Å; V927-N929 PolarHBondContact O-N 3.43Å |
| 928 | L | 33 | Very low | 33.8 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | -74.6 | 80.9 | 170.7 | -96.9 | 161.8 | 0 | 0 | 0 | 108.8 | F926 T930 | F926-L928 PolarHBondContact O-N 3.38Å; L928-T930 HydrophobicContact CD2-CG2 3.84Å; L928-T930 PolarHBondContact O-N 2.78Å |
| 929 | N | 29.2 | Very low | 34 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | -67.2 | 83.2 | 164.6 | -84.7 | 1.1 | 0 | 0 | 0 | 109 | V927 | V927-N929 WeakPolarHBondContact CG1-OD1 3.27Å; V927-N929 PolarHBondContact O-N 3.43Å |
| 930 | T | 35.3 | Very low | 34.2 | Very low | 92 Ų | 92 | 148 Ų | 148 | 56% | 0.564 | 77% | 0.774 | S | S | * | * | | | trans | -119.1 | 51.9 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | L928 N932 | L928-T930 HydrophobicContact CD2-CG2 3.84Å; L928-T930 PolarHBondContact O-N 2.78Å; T930-N932 PolarHBondContact O-N 2.88Å |
| 931 | S | 35.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -70.8 | 71.1 | 162.2 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | N933 | S931-N933 PolarHBondContact O-N 3.1Š|
| 932 | N | 37.7 | Very low | 34.6 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -72.3 | 65.1 | 174.6 | -76.2 | 5.1 | 0 | 0 | 0 | 110.2 | T930 V934 | T930-N932 PolarHBondContact O-N 2.88Å; N932-V934 PolarHBondContact O-N 2.94Å; N932-V934 VanDerWaalsContact O-N 3.1Å |
| 933 | N | 36.9 | Very low | 34.9 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -85.7 | 64.3 | 171.7 | -162.5 | 5.2 | 0 | 0 | 0 | 109.7 | S931 N935 | S931-N933 PolarHBondContact O-N 3.1Å; N933-N935 PolarHBondContact O-N 3.3Å; N933-N935 PolarHBondContact OD1-ND2 3.39Å |
| 934 | V | 41.6 | Very low | 35.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -85.9 | 89.6 | 169.3 | -178 | 0 | 0 | 0 | 0 | 107.1 | N932 | N932-V934 PolarHBondContact O-N 2.94Å; N932-V934 VanDerWaalsContact O-N 3.1Å |
| 935 | N | 40.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -127.6 | 59.4 | 173 | -93.3 | -42 | 0 | 0 | 0 | 109.9 | N933 | N933-N935 PolarHBondContact O-N 3.3Å; N933-N935 PolarHBondContact OD1-ND2 3.39Å |
| 936 | S | 38.7 | Very low | 35.6 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 100% | 1.231 | 75% | 0.754 | S | S | * | * | | | trans | -160.5 | 0 | 152.9 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | | |