| 1 | M | 61.4 | Low | 78.4 | Confident | 219 Ų | 219 | 141.5 Ų | 141.5 | 100% | 1.079 | 68% | 0.677 | S | S | * | * | | | | 0 | -42.9 | 0 | -93.1 | -170.7 | -171.2 | 0 | 0 | 113.5 | Q3 R4 | M1-Q3 PolarHBondContact O-N 3.1Å; M1-R4 PolarHBondContact O-N 3.19Å |
| 2 | A | 74.8 | Confident | 78 | Confident | 72 Ų | 72 | 145.5 Ų | 145.5 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -53.6 | -41.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R4 L5 E6 | A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.12Å; A2-L5 PolarHBondContact O-N 3.06Å; A2-L5 VanDerWaalsContact O-N 3.12Å; A2-E6 PolarHBondContact O-N 3.05Å |
| 3 | Q | 81 | Confident | 77.3 | Confident | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61 | -29.4 | -178.9 | -71.3 | 179.7 | -22.3 | 0 | 0 | 114.4 | M1 A7 | M1-Q3 PolarHBondContact O-N 3.1Å; Q3-A7 PolarHBondContact O-N 2.82Å |
| 4 | R | 82 | Confident | 76.2 | Confident | 214 Ų | 214 | 135.3 Ų | 135.3 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.9 | -35 | 177.5 | -90 | -176.9 | 163.6 | 171.8 | -4.3 | 112.3 | M1 A2 L8 | M1-R4 PolarHBondContact O-N 3.19Å; A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.12Å; R4-L8 PolarHBondContact O-N 3.12Å |
| 5 | L | 83.5 | Confident | 75 | Confident | 113 Ų | 113 | 130 Ų | 130 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.6 | -40.4 | 178.6 | -81.7 | 163.4 | 0 | 0 | 0 | 111.4 | A2 A7 L8 L9 | A2-L5 PolarHBondContact O-N 3.06Å; A2-L5 VanDerWaalsContact O-N 3.12Å; L5-A7 VanDerWaalsContact C-N 3.33Å; L5-A7 PolarHBondContact O-N 2.95Å; L5-L8 PolarHBondContact O-N 3.21Å; L5-L9 WeakPolarHBondContact O-CG 2.95Å; L5-L9 PolarHBondContact O-N 3.19Å |
| 6 | E | 81.7 | Confident | 73.7 | Confident | 112 Ų | 112 | 129 Ų | 129 | 52% | 0.523 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.1 | -40.2 | 176.1 | -73 | -172.7 | 169 | 0 | 0 | 112.7 | A2 L8 L9 R10 | A2-E6 PolarHBondContact O-N 3.05Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.3Å; E6-L9 PolarHBondContact O-N 3.39Å; E6-R10 WeakPolarHBondContact O-CG 3.44Å; E6-R10 PolarHBondContact O-N 3.25Å |
| 7 | A | 82.1 | Confident | 72.6 | Confident | 57 Ų | 57 | 127 Ų | 127 | 47% | 0.471 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q3 L5 R11 | Q3-A7 PolarHBondContact O-N 2.82Å; L5-A7 VanDerWaalsContact C-N 3.33Å; L5-A7 PolarHBondContact O-N 2.95Å; A7-R11 PolarHBondContact O-N 3.12Å |
| 8 | L | 81.7 | Confident | 71.4 | Confident | 100 Ų | 100 | 127.2 Ų | 127.2 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.6 | -41 | 177 | -74 | 171.1 | 0 | 0 | 0 | 112 | R4 L5 E6 R11 W12 | R4-L8 PolarHBondContact O-N 3.12Å; L5-L8 PolarHBondContact O-N 3.21Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.3Å; L8-R11 PolarHBondContact O-N 3.19Å; L8-W12 PolarHBondContact O-N 2.8Å |
| 9 | L | 80.6 | Confident | 70.4 | Confident | 122 Ų | 122 | 124.5 Ų | 124.5 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 177.3 | -72.8 | 169.4 | 0 | 0 | 0 | 111.9 | L5 E6 R11 W12 A13 | L5-L9 WeakPolarHBondContact O-CG 2.95Å; L5-L9 PolarHBondContact O-N 3.19Å; E6-L9 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.35Å; L9-W12 PolarHBondContact O-N 3.02Å; L9-A13 PolarHBondContact O-N 3.25Å |
| 10 | R | 78.2 | Confident | 69.5 | Low | 184 Ų | 184 | 124.4 Ų | 124.4 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.2 | -37.2 | 174.5 | -75.4 | -176.5 | 179 | 162.5 | 3.7 | 112.6 | E6 T14 | E6-R10 WeakPolarHBondContact O-CG 3.44Å; E6-R10 PolarHBondContact O-N 3.25Å; R10-T14 PolarHBondContact O-N 3.41Å; R10-T14 PolarHBondContact O-OG1 2.9Å |
| 11 | R | 75.1 | Confident | 68.6 | Low | 193 Ų | 193 | 122 Ų | 122 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.8 | -39.4 | 176.2 | -84.3 | -176 | 158.4 | -159 | -5.2 | 113.2 | A7 L8 L9 T14 A15 | A7-R11 PolarHBondContact O-N 3.12Å; L8-R11 PolarHBondContact O-N 3.19Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.35Å; R11-T14 PolarHBondContact O-N 3.31Å; R11-T14 PolarHBondContact O-OG1 3.46Å; R11-A15 PolarHBondContact O-N 2.71Å |
| 12 | W | 74.1 | Confident | 68.1 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 72% | 0.716 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 177.8 | -93.4 | 81.6 | 0 | 0 | 0 | 112.1 | L8 L9 T14 A15 | L8-W12 PolarHBondContact O-N 2.8Å; L9-W12 PolarHBondContact O-N 3.02Å; W12-T14 PolarHBondContact O-N 2.91Å; W12-A15 PolarHBondContact O-N 2.93Å |
| 13 | A | 68.6 | Low | 67.1 | Low | 65 Ų | 65 | 121.6 Ų | 121.6 | 54% | 0.537 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.6 | -32.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L9 | L9-A13 PolarHBondContact O-N 3.25Å |
| 14 | T | 61.9 | Low | 65.7 | Low | 83 Ų | 83 | 122.5 Ų | 122.5 | 51% | 0.509 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76.3 | -22.8 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | R10 R11 W12 T17 | R10-T14 PolarHBondContact O-N 3.41Å; R10-T14 PolarHBondContact O-OG1 2.9Å; R11-T14 PolarHBondContact O-N 3.31Å; R11-T14 PolarHBondContact O-OG1 3.46Å; W12-T14 PolarHBondContact O-N 2.91Å; T14-T17 PolarHBondContact O-OG1 2.85Å |
| 15 | A | 58.2 | Low | 64.3 | Low | 56 Ų | 56 | 118.1 Ų | 118.1 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.7 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R11 W12 T17 L18 | R11-A15 PolarHBondContact O-N 2.71Å; W12-A15 PolarHBondContact O-N 2.93Å; A15-T17 VanDerWaalsContact C-N 3.32Å; A15-T17 PolarHBondContact O-N 3.42Å; A15-L18 PolarHBondContact O-N 3.24Å |
| 16 | D | 55.1 | Low | 62.9 | Low | 114 Ų | 114 | 117 Ų | 117 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.1 | -30.5 | 178.8 | -75.7 | -19.1 | 0 | 0 | 0 | 112.3 | L18 A19 | D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 3.46Å; D16-A19 PolarHBondContact O-N 3.03Å |
| 17 | T | 54.1 | Low | 61.3 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.2 | -23.9 | 176.4 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | T14 A15 | T14-T17 PolarHBondContact O-OG1 2.85Å; A15-T17 VanDerWaalsContact C-N 3.32Å; A15-T17 PolarHBondContact O-N 3.42Å |
| 18 | L | 50.4 | Low | 59.5 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79 | -22.6 | 176.4 | -69.3 | 174.1 | 0 | 0 | 0 | 112.5 | A15 D16 V20 A21 | A15-L18 PolarHBondContact O-N 3.24Å; D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 3.46Å; L18-V20 VanDerWaalsContact C-N 3.27Å; L18-V20 PolarHBondContact O-N 3.3Å; L18-A21 PolarHBondContact O-N 3.3Å |
| 19 | A | 52.6 | Low | 57.9 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -21 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | D16 | D16-A19 PolarHBondContact O-N 3.03Å |
| 20 | V | 52.1 | Low | 56.5 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -14.8 | 179.7 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | L18 | L18-V20 VanDerWaalsContact C-N 3.27Å; L18-V20 PolarHBondContact O-N 3.3Å |
| 21 | A | 52.4 | Low | 55.1 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -15.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L18 | L18-A21 PolarHBondContact O-N 3.3Š|
| 22 | D | 50 | Low | 53.3 | Low | 109 Ų | 109 | 111.6 Ų | 111.6 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11.1 | -165.6 | -151.8 | 23.9 | 0 | 0 | 0 | 114.7 | | |
| 23 | E | 53.2 | Low | 51.6 | Low | 175 Ų | 175 | 108.6 Ų | 108.6 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -82.8 | -19.5 | 176.6 | -155.4 | 172.6 | -163.3 | 0 | 0 | 112.4 | | |
| 24 | K | 53 | Low | 50.5 | Low | 189 Ų | 189 | 110.6 Ų | 110.6 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -80.1 | -24.1 | -178.9 | -96.3 | -176.1 | 176.6 | 170.2 | 0 | 114.8 | | |
| 25 | D | 51.5 | Low | 49.5 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -91.7 | -10.7 | -175.5 | -75.8 | -26.3 | 0 | 0 | 0 | 114.1 | A27 G28 | D25-A27 VanDerWaalsContact C-N 3.26Å; D25-A27 PolarHBondContact O-N 3.39Å; D25-G28 PolarHBondContact O-N 3.07Å |
| 26 | V | 53.7 | Low | 48.8 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -66.2 | -28.6 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | G28 | V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.06Å |
| 27 | A | 49 | Very low | 48.1 | Very low | 83 Ų | 83 | 115.2 Ų | 115.2 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.5 | -26.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D25 | D25-A27 VanDerWaalsContact C-N 3.26Å; D25-A27 PolarHBondContact O-N 3.39Å |
| 28 | G | 43.1 | Very low | 47.8 | Very low | 53 Ų | 53 | 117 Ų | 117 | 55% | 0.546 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -79.9 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D25 V26 I30 R31 | D25-G28 PolarHBondContact O-N 3.07Å; V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.06Å; G28-I30 VanDerWaalsContact C-N 3.28Å; G28-I30 PolarHBondContact O-N 3.25Å; G28-R31 PolarHBondContact O-N 3.21Å |
| 29 | A | 48.1 | Very low | 47.3 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -68.3 | -22.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 30 | I | 53.1 | Low | 46.9 | Very low | 152 Ų | 152 | 121 Ų | 121 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -22.1 | -179.8 | -57.9 | 176.5 | 0 | 0 | 0 | 111.7 | G28 | G28-I30 VanDerWaalsContact C-N 3.28Å; G28-I30 PolarHBondContact O-N 3.25Å |
| 31 | R | 47 | Very low | 46.6 | Very low | 238 Ų | 238 | 119.4 Ų | 119.4 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -13.8 | -169.7 | -167.3 | 169.8 | -74.5 | -143.9 | 0.3 | 115.3 | G28 | G28-R31 PolarHBondContact O-N 3.21Š|
| 32 | G | 37.4 | Very low | 46.3 | Very low | 49 Ų | 49 | 123.2 Ų | 123.2 | 51% | 0.505 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -147.3 | 93.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 33 | S | 40.2 | Very low | 45.6 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | 177.5 | 73.4 | 138.4 | -79.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 34 | S | 43.7 | Very low | 45.2 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -61.8 | 131.2 | 153.6 | 47.7 | 0 | 0 | 0 | 0 | 110 | | |
| 35 | S | 41.9 | Very low | 44.4 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | 55.3 | 83.2 | 155.4 | 65.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 36 | V | 42.3 | Very low | 43.8 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | -109.7 | 104.8 | 142.3 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 37 | S | 40.4 | Very low | 43.3 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -64.1 | 123.8 | 175.6 | -65.8 | 0 | 0 | 0 | 0 | 110 | K39 | S37-K39 PolarHBondContact O-N 2.78Å; S37-K39 VanDerWaalsContact O-N 3.08Å |
| 38 | P | 49.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -79.2 | 94 | 178.2 | 30.8 | -31.9 | 0 | 0 | 0 | 109.1 | | |
| 39 | K | 39.1 | Very low | 42.5 | Very low | 199 Ų | 199 | 127.4 Ų | 127.4 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | -144.8 | 80 | 170.2 | -163.3 | 153.9 | -177.7 | 160.7 | 0 | 112.3 | S37 | S37-K39 PolarHBondContact O-N 2.78Å; S37-K39 VanDerWaalsContact O-N 3.08Å |
| 40 | A | 43.6 | Very low | 42.1 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | 167.6 | 71.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 41 | A | 46.8 | Very low | 41.3 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 41.6 | 79.1 | 83.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G43 | A41-G43 PolarHBondContact O-N 3.04Š|
| 42 | D | 46.6 | Very low | 40.8 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | | 38.4 | 39.8 | 128.6 | -53.6 | -45.3 | 0 | 0 | 0 | 117.9 | W44 | D42-W44 PolarHBondContact O-N 2.92Š|
| 43 | G | 34.4 | Very low | 40.6 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -79.6 | 60.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A41 G45 | A41-G43 PolarHBondContact O-N 3.04Å; G43-G45 PolarHBondContact O-N 2.9Å |
| 44 | W | 43.7 | Very low | 41.1 | Very low | 242 Ų | 242 | 122.8 Ų | 122.8 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -69.7 | 47.5 | 161.1 | -83.5 | 47.8 | 0 | 0 | 0 | 110.1 | D42 S46 | D42-W44 PolarHBondContact O-N 2.92Å; W44-S46 PolarHBondContact O-N 2.94Å |
| 45 | G | 37.3 | Very low | 41.1 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 86.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | G43 S47 | G43-G45 PolarHBondContact O-N 2.9Å; G45-S47 PolarHBondContact O-N 2.7Å |
| 46 | S | 38.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -40.4 | 119.8 | 162.8 | -62.6 | 0 | 0 | 0 | 0 | 110 | W44 | W44-S46 PolarHBondContact O-N 2.94Š|
| 47 | S | 44.7 | Very low | 41 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -146 | 93 | 162 | -75 | 0 | 0 | 0 | 0 | 107.5 | G45 S49 | G45-S47 PolarHBondContact O-N 2.7Å; S47-S49 PolarHBondContact O-N 2.8Å |
| 48 | M | 33.9 | Very low | 41 | Very low | 192 Ų | 192 | 124.8 Ų | 124.8 | 95% | 0.946 | 79% | 0.789 | S | S | * | * | | | trans | -51.6 | 124 | 162.8 | -61.2 | 170.2 | 156.8 | 0 | 0 | 108.6 | | |
| 49 | S | 39.9 | Very low | 40.5 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -155.7 | 112.8 | 150.8 | -165.5 | 0 | 0 | 0 | 0 | 109.7 | S47 | S47-S49 PolarHBondContact O-N 2.8Š|
| 50 | S | 39.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -14.3 | 122.2 | 159.5 | 48.7 | 0 | 0 | 0 | 0 | 116 | | |
| 51 | G | 36 | Very low | 40.2 | Very low | 68 Ų | 68 | 120.5 Ų | 120.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -179.8 | 104.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 52 | S | 37.8 | Very low | 39.5 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 72.6 | 99.9 | 155.9 | -55.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 53 | S | 32.5 | Very low | 39.5 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 4.2 | 117.1 | 147.1 | -29.9 | 0 | 0 | 0 | 0 | 116.8 | V55 | S53-V55 PolarHBondContact O-N 3.41Š|
| 54 | P | 50.1 | Low | 39.5 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125 | 162.3 | 27.5 | -30.7 | 0 | 0 | 0 | 108.5 | E56 | P54-E56 PolarHBondContact O-N 3.47Š|
| 55 | V | 44.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 119.9 Ų | 119.9 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131 | 171.9 | 87 | 0 | 0 | 0 | 0 | 108.1 | S53 P57 | S53-V55 PolarHBondContact O-N 3.41Å; V55-P57 WeakPolarHBondContact O-CD 3.36Å |
| 56 | E | 38.1 | Very low | 40.2 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.1 | 167.1 | -81 | -167.4 | 133.8 | 0 | 0 | 108.9 | P54 | P54-E56 PolarHBondContact O-N 3.47Š|
| 57 | P | 43.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -87.9 | 97.7 | 140.8 | 30.4 | -29.9 | 0 | 0 | 0 | 107.3 | V55 | V55-P57 WeakPolarHBondContact O-CD 3.36Š|
| 58 | S | 40.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | | | trans | -53.2 | 142.3 | 166.8 | -31 | 0 | 0 | 0 | 0 | 110.5 | | |
| 59 | S | 38.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | 60.4 | 95.3 | 155 | 58.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 60 | S | 39.7 | Very low | 40.5 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | | 178.1 | 114 | 126.9 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 61 | S | 37.7 | Very low | 40.6 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | 66.4 | 93.5 | 146.6 | -40.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 62 | S | 31.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -51.9 | 141.5 | 141.1 | -96.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 63 | P | 47.1 | Very low | 41.1 | Very low | 108 Ų | 108 | 121 Ų | 121 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | | -152.7 | 94.9 | 74.1 | 36.8 | -14.6 | 0 | 0 | 0 | 113.3 | | |
| 64 | W | 34.2 | Very low | 41.7 | Very low | 219 Ų | 219 | 121.6 Ų | 121.6 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -134.7 | 127.1 | 152 | -70.9 | 85.7 | 0 | 0 | 0 | 106.6 | | |
| 65 | P | 47.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | trans | -55.8 | 136.9 | 173.5 | 25.1 | -32.4 | 0 | 0 | 0 | 107.5 | F67 | P65-F67 PolarHBondContact O-N 3.43Š|
| 66 | P | 47.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -57.1 | 116.7 | 175.6 | 24.4 | -32 | 0 | 0 | 0 | 106.6 | S68 | P66-S68 PolarHBondContact O-N 3.25Š|
| 67 | F | 41.2 | Very low | 41.5 | Very low | 181 Ų | 181 | 120.4 Ų | 120.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | -60.4 | 93.8 | 157.2 | -79.1 | -82.3 | 0 | 0 | 0 | 104.6 | P65 S69 | P65-F67 PolarHBondContact O-N 3.43Å; F67-S69 PolarHBondContact O-N 3.46Å |
| 68 | S | 39.7 | Very low | 41.5 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | -61.8 | 88.1 | 166.3 | 172.5 | 0 | 0 | 0 | 0 | 105.9 | P66 S70 | P66-S68 PolarHBondContact O-N 3.25Å; S68-S70 PolarHBondContact O-N 3.07Å |
| 69 | S | 43.3 | Very low | 41.7 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 76 | 163.7 | -59.9 | 0 | 0 | 0 | 0 | 107.2 | F67 | F67-S69 PolarHBondContact O-N 3.46Š|
| 70 | S | 39.3 | Very low | 42 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | trans | -160.1 | 126.6 | 168.3 | -96.6 | 0 | 0 | 0 | 0 | 105.8 | S68 | S68-S70 PolarHBondContact O-N 3.07Š|
| 71 | S | 40.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -171.5 | 159.1 | -6.9 | -158 | 0 | 0 | 0 | 0 | 103.1 | | |
| 72 | S | 43.6 | Very low | 43 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | | | trans | 64.7 | 75.4 | 154.1 | -60.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 73 | S | 42 | Very low | 43.6 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -129.9 | 78.9 | 131.3 | 66.6 | 0 | 0 | 0 | 0 | 108.5 | L75 | S73-L75 PolarHBondContact O-N 2.74Š|
| 74 | S | 44.4 | Very low | 43.9 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | | | trans | -68.9 | 63.1 | 160.3 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 75 | L | 43.3 | Very low | 44.8 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | -106.4 | 99.5 | 169.6 | -74.8 | 172.8 | 0 | 0 | 0 | 106.5 | S73 | S73-L75 PolarHBondContact O-N 2.74Š|
| 76 | S | 39.8 | Very low | 45 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | | | trans | 61.5 | 68.6 | 145.3 | -39.8 | 0 | 0 | 0 | 0 | 114.1 | F78 | S76-F78 PolarHBondContact O-N 2.9Š|
| 77 | F | 46.2 | Very low | 45.5 | Very low | 179 Ų | 179 | 129 Ų | 129 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | -63.5 | 84.8 | 144.4 | -77.9 | -64.4 | 0 | 0 | 0 | 107.8 | F79 | F77-F79 HydrophobicContact CB-CD2 3.69Å; F77-F79 HydrophobicContact CB-CE2 4.2Å; F77-F79 HydrophobicContact CB-CG 4.47Å; F77-F79 AromaticContact CD1-CD2 3.43Å; F77-F79 HydrophobicContact CD1-CD2 3.43Å; F77-F79 VanDerWaalsContact CD1-CD2 3.43Å; F77-F79 AromaticContact CD1-CE2 2.99Å; F77-F79 HydrophobicContact CD1-CE2 2.99Å; F77-F79 HydrophobicContact CD1-CG 4.47Å; F77-F79 AromaticContact CD1-CZ 3.75Å; F77-F79 HydrophobicContact CD1-CZ 3.75Å; F77-F79 HydrophobicContact CE1-CD2 4.27Å; F77-F79 AromaticContact CE1-CE2 3.41Å; F77-F79 HydrophobicContact CE1-CE2 3.41Å; F77-F79 VanDerWaalsContact CE1-CE2 3.41Å; F77-F79 AromaticContact CE1-CZ 3.96Å; F77-F79 HydrophobicContact CE1-CZ 3.96Å; F77-F79 AromaticContact CG-CD2 3.79Å; F77-F79 HydrophobicContact CG-CD2 3.79Å; F77-F79 AromaticContact CG-CE2 3.77Å; F77-F79 HydrophobicContact CG-CE2 3.77Å; F77-F79 HydrophobicContact CZ-CE2 4.46Å; F77-F79 PolarHBondContact O-N 3.43Å |
| 78 | F | 43.2 | Very low | 46.5 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | | | trans | -61.6 | 63 | 150.2 | -72.4 | -81 | 0 | 0 | 0 | 108.2 | S76 L80 | S76-F78 PolarHBondContact O-N 2.9Å; F78-L80 PolarHBondContact O-N 2.89Å |
| 79 | F | 44.8 | Very low | 47.3 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | | | trans | -94.7 | 60.1 | 154.3 | -67.7 | -54.9 | 0 | 0 | 0 | 106.6 | F77 A81 | F77-F79 HydrophobicContact CB-CD2 3.69Å; F77-F79 HydrophobicContact CB-CE2 4.2Å; F77-F79 HydrophobicContact CB-CG 4.47Å; F77-F79 AromaticContact CD1-CD2 3.43Å; F77-F79 HydrophobicContact CD1-CD2 3.43Å; F77-F79 VanDerWaalsContact CD1-CD2 3.43Å; F77-F79 AromaticContact CD1-CE2 2.99Å; F77-F79 HydrophobicContact CD1-CE2 2.99Å; F77-F79 HydrophobicContact CD1-CG 4.47Å; F77-F79 AromaticContact CD1-CZ 3.75Å; F77-F79 HydrophobicContact CD1-CZ 3.75Å; F77-F79 HydrophobicContact CE1-CD2 4.27Å; F77-F79 AromaticContact CE1-CE2 3.41Å; F77-F79 HydrophobicContact CE1-CE2 3.41Å; F77-F79 VanDerWaalsContact CE1-CE2 3.41Å; F77-F79 AromaticContact CE1-CZ 3.96Å; F77-F79 HydrophobicContact CE1-CZ 3.96Å; F77-F79 AromaticContact CG-CD2 3.79Å; F77-F79 HydrophobicContact CG-CD2 3.79Å; F77-F79 AromaticContact CG-CE2 3.77Å; F77-F79 HydrophobicContact CG-CE2 3.77Å; F77-F79 HydrophobicContact CZ-CE2 4.46Å; F77-F79 PolarHBondContact O-N 3.43Å; F79-A81 PolarHBondContact O-N 3.28Å |
| 80 | L | 43.7 | Very low | 47.6 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | -57.5 | 99.1 | 137.3 | -96.9 | 78.7 | 0 | 0 | 0 | 103.1 | F78 | F78-L80 PolarHBondContact O-N 2.89Š|
| 81 | A | 48.6 | Very low | 48.3 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | | | trans | -40.7 | 121.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | F79 N83 | F79-A81 PolarHBondContact O-N 3.28Å; A81-N83 PolarHBondContact O-N 3.4Å |
| 82 | P | 50.3 | Low | 48.8 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | -50.6 | 121.6 | 170.8 | 21 | -30 | 0 | 0 | 0 | 105 | K84 | P82-K84 PolarHBondContact O-N 3.32Š|
| 83 | N | 44.9 | Very low | 49 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | -29.9 | 128.6 | -176.6 | -93.7 | -62.3 | 0 | 0 | 0 | 109.4 | A81 Y85 | A81-N83 PolarHBondContact O-N 3.4Å; N83-Y85 CarbonylContact O-C 3.27Å; N83-Y85 VanDerWaalsContact O-C 3.27Å; N83-Y85 PolarHBondContact O-N 2.82Å; N83-Y85 VanDerWaalsContact O-O 3.11Å |
| 84 | K | 54.4 | Low | 49.2 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -52.1 | -1.1 | 177.3 | -81.9 | -178.7 | 176.4 | -174.9 | 0 | 114.4 | P82 | P82-K84 PolarHBondContact O-N 3.32Š|
| 85 | Y | 51.5 | Low | 49.3 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.2 | 114.4 | 170 | -52.5 | -72.8 | 0 | 0 | 0 | 108.1 | N83 V87 | N83-Y85 CarbonylContact O-C 3.27Å; N83-Y85 VanDerWaalsContact O-C 3.27Å; N83-Y85 PolarHBondContact O-N 2.82Å; N83-Y85 VanDerWaalsContact O-O 3.11Å; Y85-V87 PolarHBondContact O-N 2.77Å |
| 86 | P | 52.8 | Low | 49.3 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | trans | -55.9 | 113.1 | 162.8 | 24.4 | -31.7 | 0 | 0 | 0 | 106.6 | R88 | P86-R88 PolarHBondContact O-N 2.79Š|
| 87 | V | 56.9 | Low | 49.6 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 85.7 | 163.2 | 179.5 | 0 | 0 | 0 | 0 | 104.7 | Y85 F89 | Y85-V87 PolarHBondContact O-N 2.77Å; V87-F89 VanDerWaalsContact C-N 3.32Å; V87-F89 PolarHBondContact O-N 3.5Å |
| 88 | R | 62.6 | Low | 49.5 | Very low | 189 Ų | 189 | 147 Ų | 147 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -61.5 | 105.2 | 166.2 | -71.8 | 178.1 | 169.8 | 154.8 | -5 | 104.1 | P86 R90 | P86-R88 PolarHBondContact O-N 2.79Å; R88-R90 HydrophobicContact CB-CG 4.39Å; R88-R90 PolarHBondContact O-N 2.66Å |
| 89 | F | 57.6 | Low | 49.7 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | | | trans | -59.1 | 87.1 | 154.3 | -70.7 | -77.4 | 0 | 0 | 0 | 105.7 | V87 R91 | V87-F89 VanDerWaalsContact C-N 3.32Å; V87-F89 PolarHBondContact O-N 3.5Å; F89-R91 PolarHBondContact O-N 2.93Å |
| 90 | R | 50 | Low | 49.9 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | trans | -64.4 | 100.6 | 163.6 | -71.4 | -157.8 | -178.9 | -159.8 | 2.9 | 103.6 | R88 R92 | R88-R90 HydrophobicContact CB-CG 4.39Å; R88-R90 PolarHBondContact O-N 2.66Å; R90-R92 VanDerWaalsContact C-N 3.35Å; R90-R92 PolarHBondContact O-N 3.41Å |
| 91 | R | 52.1 | Low | 50 | Low | 193 Ų | 193 | 145.5 Ų | 145.5 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | | | trans | -48.9 | 112.8 | 158.5 | -171.6 | 169.3 | 168 | -153.7 | -0 | 104.2 | F89 H93 | F89-R91 PolarHBondContact O-N 2.93Å; R91-H93 WeakPolarHBondContact CD-NE2 3.46Å; R91-H93 PolarHBondContact NE-CE1 3.23Å; R91-H93 PolarHBondContact NH1-CE1 3.44Å; R91-H93 VanDerWaalsContact NH1-CE1 3.31Å; R91-H93 PolarHBondContact O-N 2.87Å |
| 92 | R | 51.2 | Low | 49.7 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | | | trans | -62.2 | 86.3 | 168.6 | -73.3 | -173.8 | -179.3 | -153.4 | 1.8 | 104.7 | R90 S94 | R90-R92 VanDerWaalsContact C-N 3.35Å; R90-R92 PolarHBondContact O-N 3.41Å; R92-S94 PolarHBondContact O-N 2.86Å |
| 93 | H | 49.5 | Very low | 49.6 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | | | trans | -69.1 | 91.2 | 156.7 | -72.4 | -77.8 | 0 | 0 | 0 | 103.8 | R91 S95 | R91-H93 WeakPolarHBondContact CD-NE2 3.46Å; R91-H93 PolarHBondContact NE-CE1 3.23Å; R91-H93 PolarHBondContact NH1-CE1 3.44Å; R91-H93 VanDerWaalsContact NH1-CE1 3.31Å; R91-H93 PolarHBondContact O-N 2.87Å; H93-S95 PolarHBondContact O-N 2.94Å |
| 94 | S | 45.1 | Very low | 49.4 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -45 | 124.8 | 160.3 | -151.7 | 0 | 0 | 0 | 0 | 106.7 | R92 | R92-S94 PolarHBondContact O-N 2.86Š|
| 95 | S | 46.6 | Very low | 48.4 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 58.3 | 111.6 | 169.9 | 50.5 | 0 | 0 | 0 | 0 | 118.5 | H93 | H93-S95 PolarHBondContact O-N 2.94Š|
| 96 | S | 43.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | | 22.5 | 107.9 | 127.6 | -60.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 97 | T | 45.2 | Very low | 47.1 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | | 178.2 | 114.5 | 112 | 29.9 | 0 | 0 | 0 | 0 | 106.4 | L99 | T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 2.75Å |
| 98 | S | 43.9 | Very low | 46 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -59.3 | 98.5 | 158 | 48.6 | 0 | 0 | 0 | 0 | 106.5 | L100 | S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.26Å |
| 99 | L | 47.9 | Very low | 44.8 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | -63.5 | 101.8 | 166.9 | -68.7 | 173.8 | 0 | 0 | 0 | 105.7 | T97 L101 | T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 2.75Å; L99-L101 PolarHBondContact O-N 2.77Å |
| 100 | L | 49.5 | Very low | 43.8 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -55 | 113.4 | 167.9 | -67.1 | 168.5 | 0 | 0 | 0 | 106 | S98 T102 | S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.26Å; L100-T102 HydrophobicContact CB-CG2 4.3Å; L100-T102 PolarHBondContact O-N 3.32Å |
| 101 | L | 46.6 | Very low | 43.5 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -65.7 | 81.7 | 164.1 | -90.9 | 78.9 | 0 | 0 | 0 | 106.9 | L99 T103 | L99-L101 PolarHBondContact O-N 2.77Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.46Å |
| 102 | T | 42.2 | Very low | 43.1 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | | | trans | -80.8 | 92.4 | 160.7 | 51.3 | 0 | 0 | 0 | 0 | 105.9 | L100 N104 | L100-T102 HydrophobicContact CB-CG2 4.3Å; L100-T102 PolarHBondContact O-N 3.32Å; T102-N104 PolarHBondContact O-N 3.28Å |
| 103 | T | 47.4 | Very low | 42.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | -66.2 | 83.5 | 167.3 | 54.2 | 0 | 0 | 0 | 0 | 107.7 | L101 R105 | L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.46Å; T103-R105 PolarHBondContact O-N 3.28Å |
| 104 | N | 40.1 | Very low | 42.5 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -69.8 | 85.4 | 164.8 | -87.8 | -34.7 | 0 | 0 | 0 | 107.5 | T102 T106 | T102-N104 PolarHBondContact O-N 3.28Å; N104-T106 PolarHBondContact O-N 2.88Å |
| 105 | R | 33.5 | Very low | 42.5 | Very low | 240 Ų | 240 | 125.8 Ų | 125.8 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | -68.1 | 86.9 | 155.6 | -98.2 | -178.5 | 161.3 | 175.7 | -4.6 | 107.1 | T103 | T103-R105 PolarHBondContact O-N 3.28Š|
| 106 | T | 42.3 | Very low | 42.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | | | trans | -138.9 | 84.5 | 156.9 | 24.4 | 0 | 0 | 0 | 0 | 107.1 | N104 | N104-T106 PolarHBondContact O-N 2.88Š|
| 107 | D | 36.3 | Very low | 43 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | | 29 | 124.2 | 127.3 | -156.7 | 16.6 | 0 | 0 | 0 | 117.3 | | |
| 108 | R | 33.7 | Very low | 43.7 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | 100.7 | 120.4 | 164.3 | -58.8 | -176.7 | -173.7 | 179 | 2.4 | 117.5 | | |
| 109 | G | 35.7 | Very low | 43.9 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | 112.1 | 84 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P111 | G109-P111 VanDerWaalsContact C-CD 3.44Å; G109-P111 WeakPolarHBondContact O-CD 3.01Å |
| 110 | S | 37.2 | Very low | 43.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -75.7 | 108.4 | 152.2 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 111 | P | 43.6 | Very low | 44 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -97 | 136.6 | 145 | 32.8 | -30 | 0 | 0 | 0 | 108.5 | G109 | G109-P111 VanDerWaalsContact C-CD 3.44Å; G109-P111 WeakPolarHBondContact O-CD 3.01Å |
| 112 | A | 43.1 | Very low | 44.4 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -48.5 | 131.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.3 | G114 | A112-G114 PolarHBondContact O-N 3.01Š|
| 113 | A | 47.7 | Very low | 45.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | 22 | 74.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S115 | A113-S115 PolarHBondContact O-N 2.81Å; A113-S115 VanDerWaalsContact O-N 3.12Å |
| 114 | G | 40.4 | Very low | 45.1 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | trans | -60.1 | 112 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | A112 S116 | A112-G114 PolarHBondContact O-N 3.01Å; G114-S116 PolarHBondContact O-N 2.76Å; G114-S116 VanDerWaalsContact O-N 3.1Å |
| 115 | S | 45 | Very low | 45.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -51.8 | 109.6 | 145.7 | 50.2 | 0 | 0 | 0 | 0 | 107.3 | A113 E117 | A113-S115 PolarHBondContact O-N 2.81Å; A113-S115 VanDerWaalsContact O-N 3.12Å; S115-E117 PolarHBondContact O-N 3.39Å |
| 116 | S | 51.1 | Low | 46 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -72.1 | 77.1 | 171.1 | -49.4 | 0 | 0 | 0 | 0 | 108.2 | G114 W118 | G114-S116 PolarHBondContact O-N 2.76Å; G114-S116 VanDerWaalsContact O-N 3.1Å; S116-W118 PolarHBondContact O-N 3.23Å; S116-W118 VanDerWaalsContact O-N 3.12Å |
| 117 | E | 50.8 | Low | 46.2 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | | | trans | -72.9 | 98.4 | 167.8 | -167.5 | 174.4 | 165.7 | 0 | 0 | 106.6 | S115 Q119 | S115-E117 PolarHBondContact O-N 3.39Å; E117-Q119 PolarHBondContact O-N 3.39Å |
| 118 | W | 59.7 | Low | 46.8 | Very low | 226 Ų | 226 | 134 Ų | 134 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -69.7 | 93.8 | 177.2 | -64 | 91.9 | 0 | 0 | 0 | 108.5 | S116 L120 | S116-W118 PolarHBondContact O-N 3.23Å; S116-W118 VanDerWaalsContact O-N 3.12Å; W118-L120 PolarHBondContact O-N 3.08Å |
| 119 | Q | 49.1 | Very low | 47.7 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -72.1 | 107.4 | 169.1 | -73.8 | -177.1 | -14.3 | 0 | 0 | 108.7 | E117 T121 | E117-Q119 PolarHBondContact O-N 3.39Å; Q119-T121 PolarHBondContact O-N 3.29Å |
| 120 | L | 46 | Very low | 48.6 | Very low | 173 Ų | 173 | 132 Ų | 132 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -76.3 | 92.6 | 167.7 | -75.2 | 162.3 | 0 | 0 | 0 | 108 | W118 | W118-L120 PolarHBondContact O-N 3.08Š|
| 121 | T | 51.5 | Low | 49.4 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | | | trans | -86.4 | 112.6 | 166.3 | -47.4 | 0 | 0 | 0 | 0 | 108 | Q119 | Q119-T121 PolarHBondContact O-N 3.29Š|
| 122 | A | 56.5 | Low | 49.9 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -89.8 | 118.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 123 | D | 57.9 | Low | 50.5 | Low | 232 Ų | 232 | 138.3 Ų | 138.3 | 100% | 1.241 | 81% | 0.807 | S | S | * | * | | | trans | -103.5 | 0 | 154.3 | -76.6 | -34.7 | 0 | 0 | 0 | 108.5 | | |