| 1 | M | 57.9 | Low | 59.2 | Low | 198 Ų | 198 | 136.5 Ų | 136.5 | 98% | 0.975 | 69% | 0.691 | S | S | * | * | | | | 0 | -18 | 0 | -87.6 | -173.7 | 80.1 | 0 | 0 | 115.2 | | |
| 2 | W | 56.1 | Low | 59.1 | Low | 220 Ų | 220 | 138.1 Ų | 138.1 | 83% | 0.833 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75.9 | -29.9 | 179.2 | -78.8 | 81.4 | 0 | 0 | 0 | 114.7 | I4 L5 L6 | W2-I4 PolarHBondContact O-N 2.8Å; W2-L5 PolarHBondContact O-N 3.39Å; W2-L6 PolarHBondContact O-N 3.29Å |
| 3 | L | 57.9 | Low | 58.5 | Low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -69.8 | -29.8 | -179.2 | -69.5 | 168 | 0 | 0 | 0 | 113.8 | L6 A7 | L3-L6 PolarHBondContact O-N 3.02Å; L3-A7 PolarHBondContact O-N 2.71Å |
| 4 | I | 62.2 | Low | 57.8 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.9 | -37.9 | 179.3 | -59.2 | 171.4 | 0 | 0 | 0 | 110.4 | W2 L6 A7 Q8 | W2-I4 PolarHBondContact O-N 2.8Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 3.38Å; I4-A7 PolarHBondContact O-N 3.17Å; I4-Q8 PolarHBondContact O-N 3.01Å |
| 5 | L | 58.8 | Low | 57.6 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 55% | 0.55 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -67.2 | -30.9 | 178 | -68.8 | 166.8 | 0 | 0 | 0 | 112.5 | W2 R9 | W2-L5 PolarHBondContact O-N 3.39Å; L5-R9 PolarHBondContact O-N 2.89Å |
| 6 | L | 59.8 | Low | 57.5 | Low | 115 Ų | 115 | 131.1 Ų | 131.1 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.9 | -38.6 | 175 | -124.7 | 91.7 | 0 | 0 | 0 | 112.1 | W2 L3 I4 R9 L10 | W2-L6 PolarHBondContact O-N 3.29Å; L3-L6 PolarHBondContact O-N 3.02Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 3.38Å; L6-R9 PolarHBondContact O-N 2.99Å; L6-L10 PolarHBondContact O-N 2.97Å |
| 7 | A | 59.8 | Low | 57.1 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -69.4 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3 I4 L10 G11 | L3-A7 PolarHBondContact O-N 2.71Å; I4-A7 PolarHBondContact O-N 3.17Å; A7-L10 PolarHBondContact O-N 2.79Å; A7-G11 PolarHBondContact O-N 3.31Å |
| 8 | Q | 59.8 | Low | 56.7 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 50% | 0.495 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 173.2 | -71.3 | 174.4 | -20.8 | 0 | 0 | 111.4 | I4 L10 G11 E12 | I4-Q8 PolarHBondContact O-N 3.01Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-L10 PolarHBondContact O-N 2.95Å; Q8-G11 PolarHBondContact O-N 3.18Å; Q8-E12 PolarHBondContact O-N 2.9Å |
| 9 | R | 58.5 | Low | 56.4 | Low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -67.4 | -28.1 | 178.8 | -165 | 176.2 | -175.1 | 143.5 | 1.8 | 114.4 | L5 L6 | L5-R9 PolarHBondContact O-N 2.89Å; L6-R9 PolarHBondContact O-N 2.99Å |
| 10 | L | 60 | Low | 56 | Low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -86.8 | -21.6 | 174.6 | -106.9 | 79.5 | 0 | 0 | 0 | 113.3 | L6 A7 Q8 | L6-L10 PolarHBondContact O-N 2.97Å; A7-L10 PolarHBondContact O-N 2.79Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-L10 PolarHBondContact O-N 2.95Å |
| 11 | G | 59.9 | Low | 55.7 | Low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -88.3 | -14.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | A7 Q8 | A7-G11 PolarHBondContact O-N 3.31Å; Q8-G11 PolarHBondContact O-N 3.18Å |
| 12 | E | 58.4 | Low | 55.3 | Low | 156 Ų | 156 | 132.4 Ų | 132.4 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | | | trans | -105.9 | 64 | 179.4 | -78.6 | 165.5 | 103.7 | 0 | 0 | 111.3 | Q8 P14 | Q8-E12 PolarHBondContact O-N 2.9Å; E12-P14 WeakPolarHBondContact O-CD 3.26Å |
| 13 | A | 51.9 | Low | 54.5 | Low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -79.4 | 117.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | S15 | A13-S15 PolarHBondContact O-N 3.38Å; A13-S15 VanDerWaalsContact O-N 3.09Å |
| 14 | P | 47.5 | Very low | 53.9 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 58% | 0.584 | 71% | 0.711 | S | S | * | * | | | trans | -63.6 | 116 | 176.7 | 22.8 | -29.5 | 0 | 0 | 0 | 109.3 | E12 H16 | E12-P14 WeakPolarHBondContact O-CD 3.26Å; P14-H16 PolarHBondContact O-N 3.41Å |
| 15 | S | 55.8 | Low | 53.5 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 20.3 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 114.5 | A13 | A13-S15 PolarHBondContact O-N 3.38Å; A13-S15 VanDerWaalsContact O-N 3.09Å |
| 16 | H | 56.3 | Low | 53.2 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 8.1 | -170.4 | 82.3 | -95.9 | 0 | 0 | 0 | 115.6 | P14 | P14-H16 PolarHBondContact O-N 3.41Š|
| 17 | L | 49.9 | Very low | 53.2 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 63% | 0.634 | 74% | 0.737 | S | S | * | * | | | trans | -132.9 | 60.5 | -171.6 | -139.9 | 111.7 | 0 | 0 | 0 | 114 | | |
| 18 | W | 49.4 | Very low | 52.9 | Low | 261 Ų | 261 | 128.7 Ų | 128.7 | 99% | 0.989 | 75% | 0.753 | S | S | * | * | | | trans | -152.1 | 72.8 | 146.8 | -84.2 | -44.4 | 0 | 0 | 0 | 109.9 | | |
| 19 | T | 50.8 | Low | 52.7 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | | | trans | -96.3 | 108.8 | 152.8 | -37.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 20 | D | 48.6 | Very low | 52.8 | Low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | -39.1 | 154.7 | 167.2 | -143.7 | 8.4 | 0 | 0 | 0 | 112.2 | | |
| 21 | P | 50.9 | Low | 52.5 | Low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | | -165.1 | 100 | 58.6 | 38.2 | -11.1 | 0 | 0 | 0 | 116.7 | | |
| 22 | A | 49.2 | Very low | 52.5 | Low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -176.7 | 81 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 23 | G | 38.7 | Very low | 52.3 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | trans | 63.5 | 172.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 24 | P | 45.5 | Very low | 52.5 | Low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | cis | -111.6 | 165.1 | -9.8 | 37.9 | -24.8 | 0 | 0 | 0 | 112.8 | A26 | P24-A26 VanDerWaalsContact O-N 3.09Å; P24-A26 PolarHBondContact O-N 3.38Å |
| 25 | A | 53.5 | Low | 52.9 | Low | 109 Ų | 109 | 122.6 Ų | 122.6 | 90% | 0.901 | 72% | 0.723 | S | S | * | * | | | trans | -44.6 | 113.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 26 | A | 52.8 | Low | 52.9 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | | | trans | -135.7 | 83.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P24 R28 | P24-A26 VanDerWaalsContact O-N 3.09Å; P24-A26 PolarHBondContact O-N 3.38Å; A26-R28 PolarHBondContact O-N 3.44Å |
| 27 | G | 59.2 | Low | 52.8 | Low | 58 Ų | 58 | 119.7 Ų | 119.7 | 60% | 0.598 | 70% | 0.703 | S | S | * | * | | | trans | 57.1 | 53.8 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | H29 | G27-H29 PolarHBondContact O-N 3.38Š|
| 28 | R | 55.4 | Low | 53.1 | Low | 234 Ų | 234 | 116.6 Ų | 116.6 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | | | trans | -77.3 | 71.5 | 154 | -84.1 | -177.9 | 158.8 | -172.6 | -4 | 109 | A26 T30 | A26-R28 PolarHBondContact O-N 3.44Å; R28-T30 VanDerWaalsContact C-N 3.29Å; R28-T30 PolarHBondContact O-N 3.25Å |
| 29 | H | 54.8 | Low | 53.4 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 57% | 0.574 | 69% | 0.685 | S | S | * | * | | | trans | -71.2 | 93.7 | 163.4 | -64.7 | -67.9 | 0 | 0 | 0 | 107 | G27 Q33 | G27-H29 PolarHBondContact O-N 3.38Å; H29-Q33 PolarHBondContact ND1-OE1 3.35Å |
| 30 | T | 59.5 | Low | 53.6 | Low | 80 Ų | 80 | 113.1 Ų | 113.1 | 49% | 0.491 | 68% | 0.679 | S | S | . | * | | | trans | -58.2 | 140.8 | 166.1 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | R28 S32 Q33 | R28-T30 VanDerWaalsContact C-N 3.29Å; R28-T30 PolarHBondContact O-N 3.25Å; T30-S32 PolarHBondContact O-N 3.5Å; T30-S32 PolarHBondContact OG1-OG 3.35Å; T30-Q33 PolarHBondContact O-N 3.42Å |
| 31 | C | 55.3 | Low | 54 | Low | 112 Ų | 112 | 116.5 Ų | 116.5 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -46.4 | -22.4 | -176.4 | -72.4 | 0 | 0 | 0 | 0 | 115.3 | Q33 | C31-Q33 VanDerWaalsContact C-N 3.33Å; C31-Q33 PolarHBondContact O-N 3.44Å |
| 32 | S | 58.4 | Low | 53.9 | Low | 77 Ų | 77 | 114.3 Ų | 114.3 | 54% | 0.538 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -60.1 | -29.3 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | T30 | T30-S32 PolarHBondContact O-N 3.5Å; T30-S32 PolarHBondContact OG1-OG 3.35Å |
| 33 | Q | 54.8 | Low | 54.1 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 43% | 0.425 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -80.6 | -29.6 | -179.2 | -69.9 | -176.9 | -1.6 | 0 | 0 | 113.3 | H29 T30 C31 L35 H37 | H29-Q33 PolarHBondContact ND1-OE1 3.35Å; T30-Q33 PolarHBondContact O-N 3.42Å; C31-Q33 VanDerWaalsContact C-N 3.33Å; C31-Q33 PolarHBondContact O-N 3.44Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-H37 PolarHBondContact O-CD2 2.84Å; Q33-H37 PolarHBondContact O-N 3.03Å |
| 34 | L | 56.1 | Low | 54.8 | Low | 122 Ų | 122 | 124.8 Ų | 124.8 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.7 | -35.5 | 175.2 | -74.1 | 168.7 | 0 | 0 | 0 | 111.6 | H37 A38 | L34-H37 PolarHBondContact O-N 3.09Å; L34-A38 PolarHBondContact O-N 3.29Å |
| 35 | L | 55 | Low | 55 | Low | 130 Ų | 130 | 124.6 Ų | 124.6 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.4 | -36.8 | 179.9 | -164.1 | 65.6 | 0 | 0 | 0 | 112.3 | Q33 H37 A38 Q39 | Q33-L35 VanDerWaalsContact C-N 3.33Å; L35-H37 PolarHBondContact O-N 2.73Å; L35-H37 VanDerWaalsContact C-N 3.32Å; L35-A38 PolarHBondContact O-N 2.76Å; L35-Q39 PolarHBondContact O-N 3.09Å |
| 36 | C | 57.3 | Low | 54.7 | Low | 74 Ų | 74 | 126.9 Ų | 126.9 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66 | -31 | 174.6 | -85.9 | 0 | 0 | 0 | 0 | 113.4 | Q40 | C36-Q40 WeakPolarHBondContact O-CG 3.27Å |
| 37 | H | 54.7 | Low | 54.8 | Low | 134 Ų | 134 | 125.1 Ų | 125.1 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.2 | -34.6 | 175.2 | -86.5 | -63.4 | 0 | 0 | 0 | 113.1 | Q33 L34 L35 Q39 Q40 R41 | Q33-H37 PolarHBondContact O-CD2 2.84Å; Q33-H37 PolarHBondContact O-N 3.03Å; L34-H37 PolarHBondContact O-N 3.09Å; L35-H37 PolarHBondContact O-N 2.73Å; L35-H37 VanDerWaalsContact C-N 3.32Å; H37-Q39 VanDerWaalsContact C-N 3.26Å; H37-Q39 PolarHBondContact O-N 2.82Å; H37-Q40 PolarHBondContact O-N 3.43Å; H37-R41 PolarHBondContact O-N 3Å |
| 38 | A | 55.5 | Low | 54.4 | Low | 55 Ų | 55 | 130.8 Ų | 130.8 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -66.5 | -29.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 L35 | L34-A38 PolarHBondContact O-N 3.29Å; L35-A38 PolarHBondContact O-N 2.76Å |
| 39 | Q | 54.5 | Low | 54 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.5 | -20.2 | -179.9 | -158 | 165.7 | 46.6 | 0 | 0 | 113.4 | L35 H37 | L35-Q39 PolarHBondContact O-N 3.09Å; H37-Q39 VanDerWaalsContact C-N 3.26Å; H37-Q39 PolarHBondContact O-N 2.82Å |
| 40 | Q | 56.4 | Low | 53.6 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -91.5 | -19.1 | 179.4 | -68.2 | -178.8 | 31.8 | 0 | 0 | 113.8 | C36 H37 G42 | C36-Q40 WeakPolarHBondContact O-CG 3.27Å; H37-Q40 PolarHBondContact O-N 3.43Å; Q40-G42 PolarHBondContact O-N 2.89Å |
| 41 | R | 55.6 | Low | 53.4 | Low | 214 Ų | 214 | 127.2 Ų | 127.2 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -90.2 | 93.8 | 162.7 | -80.2 | -171.4 | -176 | 171.4 | 2 | 107 | H37 W43 | H37-R41 PolarHBondContact O-N 3Å; R41-W43 PolarHBondContact O-N 3.44Å |
| 42 | G | 50.3 | Low | 53 | Low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | | | trans | -43.8 | 102.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q40 E44 | Q40-G42 PolarHBondContact O-N 2.89Å; G42-E44 PolarHBondContact O-N 3.46Å |
| 43 | W | 52.4 | Low | 52.6 | Low | 234 Ų | 234 | 131 Ų | 131 | 89% | 0.886 | 71% | 0.705 | S | S | * | * | | | trans | -79.3 | 77.1 | 168.3 | -149 | -36.9 | 0 | 0 | 0 | 104.7 | R41 P45 | R41-W43 PolarHBondContact O-N 3.44Å; W43-P45 VanDerWaalsContact O-CD 3.28Å; W43-P45 WeakPolarHBondContact O-CD 3.26Å |
| 44 | E | 52.8 | Low | 52.5 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | | | trans | -66.7 | 117.7 | 157.8 | -76.9 | -174.2 | 91.3 | 0 | 0 | 105.4 | G42 D46 | G42-E44 PolarHBondContact O-N 3.46Å; E44-D46 PolarHBondContact O-N 3.46Å |
| 45 | P | 50.6 | Low | 51.9 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | | | trans | -64.2 | 108.7 | 166.4 | 25.8 | -29 | 0 | 0 | 0 | 106 | W43 G47 | W43-P45 VanDerWaalsContact O-CD 3.28Å; W43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-G47 PolarHBondContact O-N 3.34Å |
| 46 | D | 47.9 | Very low | 51.8 | Low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | | | trans | -47.7 | 109.4 | 173 | -73.8 | -60.6 | 0 | 0 | 0 | 108.4 | E44 H48 | E44-D46 PolarHBondContact O-N 3.46Å; D46-H48 PolarHBondContact O-N 3.38Å |
| 47 | G | 53.2 | Low | 51.3 | Low | 54 Ų | 54 | 136.7 Ų | 136.7 | 56% | 0.557 | 74% | 0.742 | S | S | * | * | | | trans | -55.9 | 121.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P45 | P45-G47 PolarHBondContact O-N 3.34Š|
| 48 | H | 51.4 | Low | 51.1 | Low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | 177.4 | 118.9 | 124.7 | -77.8 | -49.8 | 0 | 0 | 0 | 110.1 | D46 | D46-H48 PolarHBondContact O-N 3.38Š|
| 49 | T | 48 | Very low | 50.5 | Low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 63.4 | 91 | 147.5 | 41.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 50 | T | 46.8 | Very low | 49.9 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | | -110.7 | 100.5 | 126.1 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | S52 | T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 3.23Å |
| 51 | S | 54.2 | Low | 49.4 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -59.6 | 94.5 | 159.1 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 52 | S | 47.6 | Very low | 49.4 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -103 | 78.2 | 157.2 | -73.6 | 0 | 0 | 0 | 0 | 106.6 | T50 S54 | T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 3.23Å; S52-S54 VanDerWaalsContact C-N 3.32Å; S52-S54 PolarHBondContact O-N 3.36Å |
| 53 | H | 49.1 | Very low | 49.4 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | -65.1 | 93.1 | 166.7 | -138 | -81.9 | 0 | 0 | 0 | 107.4 | | |
| 54 | S | 54.1 | Low | 49.5 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -155.4 | 72.3 | 171.4 | -72 | 0 | 0 | 0 | 0 | 110.1 | S52 | S52-S54 VanDerWaalsContact C-N 3.32Å; S52-S54 PolarHBondContact O-N 3.36Å |
| 55 | E | 43 | Very low | 49.5 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -157.5 | 81.9 | 142.9 | -111.1 | 174.8 | 153.3 | 0 | 0 | 108.4 | N57 | E55-N57 VanDerWaalsContact C-N 3.35Å; E55-N57 PolarHBondContact O-N 3.46Å |
| 56 | V | 52.3 | Low | 49.5 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -75.6 | 96.1 | 160 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 57 | N | 47.7 | Very low | 49.7 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -132 | 93.8 | 159.5 | -89.9 | -51.8 | 0 | 0 | 0 | 108.4 | E55 | E55-N57 VanDerWaalsContact C-N 3.35Å; E55-N57 PolarHBondContact O-N 3.46Å |
| 58 | H | 48.7 | Very low | 49.2 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -120.9 | 122.9 | 156.1 | -64.3 | -31.1 | 0 | 0 | 0 | 106.5 | | |
| 59 | P | 43.8 | Very low | 49.2 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | | | | -144.7 | 128.6 | 105.5 | 31.9 | -14 | 0 | 0 | 0 | 114.3 | | |
| 60 | G | 42.2 | Very low | 49.4 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | 86.6 | 102.2 | 141 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 61 | N | 45.8 | Very low | 49.6 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -165.5 | 127.9 | 111.3 | -151.4 | 8.3 | 0 | 0 | 0 | 111.3 | F63 | N61-F63 HydrophobicContact CB-CD2 4.36Å; N61-F63 VanDerWaalsContact ND2-CD2 3.27Å; N61-F63 WeakPolarHBondContact ND2-CD2 3.48Å; N61-F63 PolarHBondContact O-N 3.18Å; N61-F63 VanDerWaalsContact OD1-CD2 3.26Å; N61-F63 WeakPolarHBondContact OD1-CD2 3.11Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.28Å |
| 62 | P | 54.9 | Low | 49.7 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -91.8 | 83.9 | -179 | 33.7 | -22.7 | 0 | 0 | 0 | 109.5 | | |
| 63 | F | 50.1 | Low | 49.8 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -133.2 | 96.7 | 172.3 | -73 | -81.8 | 0 | 0 | 0 | 110.9 | N61 | N61-F63 HydrophobicContact CB-CD2 4.36Å; N61-F63 VanDerWaalsContact ND2-CD2 3.27Å; N61-F63 WeakPolarHBondContact ND2-CD2 3.48Å; N61-F63 PolarHBondContact O-N 3.18Å; N61-F63 VanDerWaalsContact OD1-CD2 3.26Å; N61-F63 WeakPolarHBondContact OD1-CD2 3.11Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.28Å |
| 64 | H | 55.9 | Low | 49.6 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | 2.1 | 115.4 | 147.6 | -70.9 | -90.6 | 0 | 0 | 0 | 117 | | |
| 65 | H | 52.8 | Low | 49.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -142.3 | 79.7 | 138.5 | -75.9 | -67.4 | 0 | 0 | 0 | 106.7 | | |
| 66 | R | 50.4 | Low | 49.3 | Very low | 224 Ų | 224 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | | 73.5 | 95.4 | 105.4 | -168 | 171.9 | 174.8 | 157.5 | -2 | 110.5 | N68 | R66-N68 PolarHBondContact O-N 3.38Š|
| 67 | D | 51.8 | Low | 49.1 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -45.8 | 128.6 | 164 | -51.2 | -83.7 | 0 | 0 | 0 | 109.7 | | |
| 68 | N | 42.9 | Very low | 49.2 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -116 | 91.1 | 160.6 | -167.5 | 22.3 | 0 | 0 | 0 | 108.4 | R66 | R66-N68 PolarHBondContact O-N 3.38Š|
| 69 | P | 52.3 | Low | 49.3 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | trans | -88.5 | 120.4 | 168.5 | 33.3 | -25.8 | 0 | 0 | 0 | 108.9 | | |
| 70 | S | 50.3 | Low | 49.6 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | 177.6 | 89.9 | 143 | 42.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 71 | L | 51.4 | Low | 50.2 | Low | 168 Ų | 168 | 150.8 Ų | 150.8 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | -96.2 | 94.8 | 147.8 | -82.9 | 165.6 | 0 | 0 | 0 | 105.3 | V73 | L71-V73 PolarHBondContact O-N 3.17Å; L71-V73 HydrophobicContact CB-CG2 4.43Å |
| 72 | D | 55.8 | Low | 50.3 | Low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -65.6 | 96.5 | 168.7 | -108.2 | -74.6 | 0 | 0 | 0 | 108.2 | | |
| 73 | V | 49.8 | Very low | 49.6 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | | | trans | -124.7 | 104.7 | 167.2 | -162.2 | 0 | 0 | 0 | 0 | 107.2 | L71 | L71-V73 PolarHBondContact O-N 3.17Å; L71-V73 HydrophobicContact CB-CG2 4.43Å |
| 74 | N | 45.1 | Very low | 49 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 87.6 | 92.9 | 172 | -51 | -58.4 | 0 | 0 | 0 | 117.3 | | |
| 75 | S | 46.4 | Very low | 48.6 | Very low | 98 Ų | 98 | 158.8 Ų | 158.8 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | -137.5 | 112.7 | 141.4 | -99 | 0 | 0 | 0 | 0 | 109.5 | | |
| 76 | E | 44.4 | Very low | 48.4 | Very low | 173 Ų | 173 | 157.4 Ų | 157.4 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | | | trans | 62.7 | 108.5 | 152.1 | -72.9 | 164.9 | 67.4 | 0 | 0 | 117.1 | | |
| 77 | L | 47.9 | Very low | 48.3 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | | 56.1 | 120.4 | 61.7 | -138.4 | 155.4 | 0 | 0 | 0 | 112.1 | | |
| 78 | S | 50.7 | Low | 48.1 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | 74.9 | 118.5 | -176.1 | -70.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 79 | E | 50.5 | Low | 48.4 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | cis | -149.1 | 113.3 | 39.3 | -63.3 | 168.7 | 114.9 | 0 | 0 | 109 | R81 | E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 3.05Å |
| 80 | E | 49.6 | Very low | 48.2 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | -61 | 94.9 | 163.3 | -170 | -176.5 | 87.4 | 0 | 0 | 107.6 | Q82 | E80-Q82 HydrophobicContact CG-CG 3.81Å; E80-Q82 PolarHBondContact O-N 3.47Å; E80-Q82 VanDerWaalsContact OE1-CG 3.26Å; E80-Q82 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q82 PolarHBondContact OE1-NE2 3.31Å |
| 81 | R | 55.3 | Low | 48 | Very low | 243 Ų | 243 | 162.1 Ų | 162.1 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | | | trans | -70.6 | 72.2 | 173.4 | -155.1 | -173.6 | -156.1 | -149.1 | 7 | 108.6 | E79 H83 | E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 3.05Å; R81-H83 PolarHBondContact O-N 3.47Å |
| 82 | Q | 48 | Very low | 47.8 | Very low | 146 Ų | 146 | 161.6 Ų | 161.6 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | | | trans | -67.7 | 116 | 165.6 | -65.8 | -155.7 | -12.2 | 0 | 0 | 108.8 | E80 N84 | E80-Q82 HydrophobicContact CG-CG 3.81Å; E80-Q82 PolarHBondContact O-N 3.47Å; E80-Q82 VanDerWaalsContact OE1-CG 3.26Å; E80-Q82 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q82 PolarHBondContact OE1-NE2 3.31Å; Q82-N84 PolarHBondContact O-N 3.35Å |
| 83 | H | 40.4 | Very low | 47.1 | Very low | 191 Ų | 191 | 162.6 Ų | 162.6 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | | | trans | -3.1 | 110.3 | 141.3 | -78.8 | 85.8 | 0 | 0 | 0 | 115.9 | R81 | R81-H83 PolarHBondContact O-N 3.47Š|
| 84 | N | 37.1 | Very low | 46.9 | Very low | 235 Ų | 235 | 167.7 Ų | 167.7 | 100% | 1.257 | 84% | 0.838 | S | S | * | * | | | | 179.4 | 0 | 116.1 | -167 | 4.9 | 0 | 0 | 0 | 109.4 | Q82 | Q82-N84 PolarHBondContact O-N 3.35Š|