| 1 | M | 36.8 | Very low | 42.8 | Very low | 231 Ų | 231 | 140.2 Ų | 140.2 | 100% | 1.138 | 82% | 0.819 | S | S | * | * | | | | 0 | 102.7 | 0 | -38.8 | -43.7 | -172.3 | 0 | 0 | 105.7 | | |
| 2 | A | 35.8 | Very low | 43.3 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | | | | 73.3 | 132.8 | 50.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 3 | T | 40.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | | | cis | -165.8 | 160.4 | -6.8 | 11.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 4 | G | 39.8 | Very low | 43 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | trans | 132.8 | 82.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 5 | H | 38.2 | Very low | 42.9 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | | 68.5 | 125.6 | 62.5 | -157.8 | -66.5 | 0 | 0 | 0 | 112.3 | | |
| 6 | E | 45.5 | Very low | 43.3 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 65% | 0.645 | 83% | 0.829 | S | S | * | * | | | trans | -78.6 | 158.4 | -176 | -60 | 143.2 | 116.4 | 0 | 0 | 112.2 | I8 | E6-I8 HydrophobicContact CB-CG1 4.47Š|
| 7 | D | 42.3 | Very low | 43.2 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | | | trans | -119.9 | 141.7 | 145.5 | -91.6 | -46.6 | 0 | 0 | 0 | 107.2 | | |
| 8 | I | 53.2 | Low | 43.7 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | | | trans | -110.3 | -167.8 | -156.3 | -16.8 | 179.6 | 0 | 0 | 0 | 112.2 | E6 | E6-I8 HydrophobicContact CB-CG1 4.47Š|
| 9 | P | 57.6 | Low | 43.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -104 | 170.3 | -130.3 | 41.4 | -28.8 | 0 | 0 | 0 | 114.9 | | |
| 10 | A | 36.4 | Very low | 44 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -120.5 | 85.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 11 | L | 44.9 | Very low | 44 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | 57.5 | 117.2 | 149.1 | -56.6 | 173.2 | 0 | 0 | 0 | 119.9 | | |
| 12 | E | 48.7 | Very low | 44.5 | Very low | 201 Ų | 201 | 131.4 Ų | 131.4 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -58.8 | 135.7 | 146.9 | -64.7 | -179.9 | 102.9 | 0 | 0 | 110.4 | | |
| 13 | S | 42.4 | Very low | 45.1 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -163.9 | 139.2 | 158.8 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 14 | G | 40.2 | Very low | 45.7 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 97.5 | 79.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 15 | M | 41.3 | Very low | 46.2 | Very low | 180 Ų | 180 | 133 Ų | 133 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | | 25.8 | 114.8 | 129.2 | -135.8 | 75.3 | 71.5 | 0 | 0 | 119.4 | G17 | M15-G17 PolarHBondContact O-N 3.29Š|
| 16 | S | 49.2 | Very low | 46.7 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | 41 | 72.4 | 137.3 | -176.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 17 | G | 42.1 | Very low | 47.1 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -118.3 | 121.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | M15 C19 | M15-G17 PolarHBondContact O-N 3.29Å; G17-C19 PolarHBondContact O-N 2.9Å |
| 18 | L | 52.1 | Low | 47.6 | Very low | 182 Ų | 182 | 125.3 Ų | 125.3 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | | | trans | -75.5 | 89.7 | 176.8 | -74.8 | 169.2 | 0 | 0 | 0 | 111.6 | | |
| 19 | C | 46.4 | Very low | 47.6 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -123.3 | 95.7 | 170.4 | -79.5 | 0 | 0 | 0 | 0 | 111 | G17 A21 | G17-C19 PolarHBondContact O-N 2.9Å; C19-A21 PolarHBondContact O-N 3.36Å; C19-A21 VanDerWaalsContact O-N 3.1Å |
| 20 | V | 46.6 | Very low | 47.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -69 | 104.4 | 171.1 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | L22 | V20-L22 HydrophobicContact CG1-CD2 3.9Å; V20-L22 HydrophobicContact CG1-CG 4.34Å; V20-L22 PolarHBondContact O-N 3.36Å |
| 21 | A | 44.4 | Very low | 48.9 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -67.4 | 95 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | C19 S23 | C19-A21 PolarHBondContact O-N 3.36Å; C19-A21 VanDerWaalsContact O-N 3.1Å; A21-S23 PolarHBondContact O-N 3.27Å |
| 22 | L | 47 | Very low | 49.7 | Very low | 156 Ų | 156 | 130 Ų | 130 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | trans | -64.2 | 105.1 | 179.3 | -69.7 | 171.3 | 0 | 0 | 0 | 109.9 | V20 S24 | V20-L22 HydrophobicContact CG1-CD2 3.9Å; V20-L22 HydrophobicContact CG1-CG 4.34Å; V20-L22 PolarHBondContact O-N 3.36Å; L22-S24 PolarHBondContact O-N 3.07Å |
| 23 | S | 49 | Very low | 50.5 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.8 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | A21 P25 | A21-S23 PolarHBondContact O-N 3.27Å; S23-P25 WeakPolarHBondContact O-CD 3.39Å |
| 24 | S | 51.5 | Low | 51.3 | Low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 123.2 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | L22 A26 | L22-S24 PolarHBondContact O-N 3.07Å; S24-A26 PolarHBondContact O-N 3.03Å; S24-A26 VanDerWaalsContact O-N 3.12Å |
| 25 | P | 51.9 | Low | 52.3 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.4 | 178.4 | -25 | 35 | 0 | 0 | 0 | 111.1 | S23 G27 | S23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-G27 PolarHBondContact O-N 3.18Å |
| 26 | A | 49.1 | Very low | 53.5 | Low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | S24 I28 | S24-A26 PolarHBondContact O-N 3.03Å; S24-A26 VanDerWaalsContact O-N 3.12Å; A26-I28 PolarHBondContact O-N 2.96Å |
| 27 | G | 52 | Low | 54.2 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | trans | 49.9 | 66 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | P25 A29 | P25-G27 PolarHBondContact O-N 3.18Å; G27-A29 PolarHBondContact O-N 2.77Å |
| 28 | I | 53.3 | Low | 55.2 | Low | 152 Ų | 152 | 130.1 Ų | 130.1 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -62.7 | 108.2 | 153.8 | -68.7 | 176.9 | 0 | 0 | 0 | 107.1 | A26 R30 | A26-I28 PolarHBondContact O-N 2.96Å; I28-R30 PolarHBondContact O-N 3.25Å |
| 29 | A | 54.2 | Low | 55.7 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 73% | 0.73 | S | S | * | * | | | trans | -62.6 | 104.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | G27 H31 | G27-A29 PolarHBondContact O-N 2.77Å; A29-H31 VanDerWaalsContact C-N 3.33Å; A29-H31 PolarHBondContact O-CD2 3.16Å; A29-H31 PolarHBondContact O-N 3.13Å |
| 30 | R | 58.5 | Low | 56.5 | Low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | | | trans | -71 | 93.9 | 171 | -68.9 | -175.8 | 179.5 | -175.5 | -0.4 | 108 | I28 N32 | I28-R30 PolarHBondContact O-N 3.25Å; R30-N32 PolarHBondContact O-N 2.89Å |
| 31 | H | 62.7 | Low | 57.5 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | -58.5 | 108.3 | 161.4 | -70.6 | -91.5 | 0 | 0 | 0 | 107.3 | A29 I33 | A29-H31 VanDerWaalsContact C-N 3.33Å; A29-H31 PolarHBondContact O-CD2 3.16Å; A29-H31 PolarHBondContact O-N 3.13Å; H31-I33 PolarHBondContact O-N 3.1Å |
| 32 | N | 61.5 | Low | 58.7 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | trans | -67.5 | 106.1 | 173 | -71 | -32.5 | 0 | 0 | 0 | 107 | R30 S34 | R30-N32 PolarHBondContact O-N 2.89Å; N32-S34 PolarHBondContact O-N 3.02Å |
| 33 | I | 64.7 | Low | 60 | Low | 130 Ų | 130 | 130.3 Ų | 130.3 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | | | trans | -67.2 | 101.8 | 177.5 | -53.9 | 173.6 | 0 | 0 | 0 | 107.1 | H31 Y35 | H31-I33 PolarHBondContact O-N 3.1Å; I33-Y35 PolarHBondContact O-N 2.96Å |
| 34 | S | 60.6 | Low | 60.7 | Low | 45 Ų | 45 | 133.6 Ų | 133.6 | 32% | 0.315 | 72% | 0.719 | S | S | . | * | | | trans | -68.4 | 120.5 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | N32 D36 | N32-S34 PolarHBondContact O-N 3.02Å; S34-D36 PolarHBondContact O-N 2.97Å; S34-D36 PolarHBondContact OG-N 3.34Å |
| 35 | Y | 60 | Low | 61.2 | Low | 205 Ų | 205 | 135.6 Ų | 135.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -65.6 | -22.7 | 173.7 | -99.7 | -91.6 | 0 | 0 | 0 | 112.2 | I33 M39 | I33-Y35 PolarHBondContact O-N 2.96Å; Y35-M39 WeakPolarHBondContact O-CG 3.45Å |
| 36 | D | 67.6 | Low | 62 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -71.7 | -45.7 | -176.8 | -144.3 | 33.5 | 0 | 0 | 0 | 111.3 | S34 H38 M39 | S34-D36 PolarHBondContact O-N 2.97Å; S34-D36 PolarHBondContact OG-N 3.34Å; D36-H38 PolarHBondContact O-N 2.8Å; D36-M39 PolarHBondContact O-N 3.43Å; D36-M39 VanDerWaalsContact O-N 3.1Å |
| 37 | E | 64.1 | Low | 62.7 | Low | 152 Ų | 152 | 133 Ų | 133 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -66 | -6.7 | -178.5 | -64.9 | 178.7 | 178.8 | 0 | 0 | 114.2 | | |
| 38 | H | 61.8 | Low | 63.2 | Low | 107 Ų | 107 | 135.1 Ų | 135.1 | 50% | 0.495 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -107.8 | -4.7 | 178.5 | -66.1 | -36.7 | 0 | 0 | 0 | 114 | D36 I41 | D36-H38 PolarHBondContact O-N 2.8Å; H38-I41 HydrophobicContact CB-CD1 4.43Å |
| 39 | M | 62.7 | Low | 63.4 | Low | 144 Ų | 144 | 134.1 Ų | 134.1 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -33.8 | 179 | -65.1 | -63.1 | -68.8 | 0 | 0 | 113 | Y35 D36 | Y35-M39 WeakPolarHBondContact O-CG 3.45Å; D36-M39 PolarHBondContact O-N 3.43Å; D36-M39 VanDerWaalsContact O-N 3.1Å |
| 40 | D | 63.9 | Low | 63.5 | Low | 156 Ų | 156 | 137.6 Ų | 137.6 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -88 | 2.2 | -177 | -75.8 | -26.1 | 0 | 0 | 0 | 114.2 | P42 | D40-P42 VanDerWaalsContact O-CD 3.29Å; D40-P42 WeakPolarHBondContact O-CD 3.24Å |
| 41 | I | 67.8 | Low | 63.5 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 52% | 0.518 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -70.6 | 120 | 174.4 | -60 | 177.5 | 0 | 0 | 0 | 108.4 | H38 M43 | H38-I41 HydrophobicContact CB-CD1 4.43Å; I41-M43 PolarHBondContact O-N 3.19Å |
| 42 | P | 68.4 | Low | 63.3 | Low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | | | trans | -60.6 | 115.6 | 177 | -22.6 | 34.4 | 0 | 0 | 0 | 110 | D40 H44 | D40-P42 VanDerWaalsContact O-CD 3.29Å; D40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-H44 PolarHBondContact O-N 2.92Å |
| 43 | M | 73.7 | Confident | 63.1 | Low | 174 Ų | 174 | 128.4 Ų | 128.4 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | | | trans | -51.3 | 115.3 | 178.7 | -81.5 | -66.5 | -67.3 | 0 | 0 | 109.9 | I41 H45 | I41-M43 PolarHBondContact O-N 3.19Å; M43-H45 PolarHBondContact O-N 3.34Å |
| 44 | H | 64.8 | Low | 62.6 | Low | 177 Ų | 177 | 128 Ų | 128 | 82% | 0.819 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124.8 | -170.4 | -171.2 | -63.4 | 0 | 0 | 0 | 110.3 | P42 | P42-H44 PolarHBondContact O-N 2.92Š|
| 45 | H | 62.9 | Low | 62.4 | Low | 153 Ų | 153 | 132.7 Ų | 132.7 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.3 | -178.4 | -58.3 | -55.8 | 0 | 0 | 0 | 110.5 | M43 | M43-H45 PolarHBondContact O-N 3.34Š|
| 46 | P | 67.1 | Low | 62.1 | Low | 83 Ų | 83 | 135 Ų | 135 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 146 | 179.6 | 25.3 | -34.1 | 0 | 0 | 0 | 110 | V48 M50 | P46-V48 PolarHBondContact O-N 3.15Å; P46-M50 HydrophobicContact CB-SD 4.04Å |
| 47 | P | 64.6 | Low | 61.8 | Low | 83 Ų | 83 | 136.5 Ų | 136.5 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 139.3 | 177.7 | -27 | 35 | 0 | 0 | 0 | 111.4 | D49 M50 | P47-D49 PolarHBondContact O-N 2.69Å; P47-M50 WeakPolarHBondContact O-CB 3.17Å; P47-M50 PolarHBondContact O-N 3.39Å |
| 48 | V | 61.8 | Low | 61.5 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -55.1 | -32.1 | -171.8 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | P46 M50 T51 | P46-V48 PolarHBondContact O-N 3.15Å; V48-M50 PolarHBondContact O-N 2.91Å; V48-M50 VanDerWaalsContact O-N 3.15Å; V48-T51 WeakPolarHBondContact O-CB 3.31Å; V48-T51 PolarHBondContact O-N 3.3Å; V48-T51 PolarHBondContact O-OG1 2.87Å |
| 49 | D | 57.9 | Low | 61.4 | Low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -57.8 | -24.4 | 175.1 | -70.2 | -24.6 | 0 | 0 | 0 | 114.4 | P47 T51 V52 | P47-D49 PolarHBondContact O-N 2.69Å; D49-T51 PolarHBondContact O-N 3.05Å; D49-V52 WeakPolarHBondContact O-CB 3.16Å; D49-V52 WeakPolarHBondContact O-CG2 3.37Å; D49-V52 PolarHBondContact O-N 3.34Å |
| 50 | M | 57.3 | Low | 61.5 | Low | 147 Ų | 147 | 135.2 Ų | 135.2 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -71.3 | -14.6 | 173.5 | -68.6 | -168 | 171.6 | 0 | 0 | 113.4 | P46 P47 V48 | P46-M50 HydrophobicContact CB-SD 4.04Å; P47-M50 WeakPolarHBondContact O-CB 3.17Å; P47-M50 PolarHBondContact O-N 3.39Å; V48-M50 PolarHBondContact O-N 2.91Å; V48-M50 VanDerWaalsContact O-N 3.15Å |
| 51 | T | 56.6 | Low | 61.8 | Low | 108 Ų | 108 | 134 Ų | 134 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -87.2 | -6.9 | 173.6 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | V48 D49 K53 | V48-T51 WeakPolarHBondContact O-CB 3.31Å; V48-T51 PolarHBondContact O-N 3.3Å; V48-T51 PolarHBondContact O-OG1 2.87Å; D49-T51 PolarHBondContact O-N 3.05Å; T51-K53 PolarHBondContact O-N 3.43Å |
| 52 | V | 59.1 | Low | 61.2 | Low | 81 Ų | 81 | 134.7 Ų | 134.7 | 49% | 0.491 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -63.6 | 123.1 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | D49 N54 | D49-V52 WeakPolarHBondContact O-CB 3.16Å; D49-V52 WeakPolarHBondContact O-CG2 3.37Å; D49-V52 PolarHBondContact O-N 3.34Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.18Å; V52-N54 PolarHBondContact O-N 3.08Å |
| 53 | K | 57.5 | Low | 60.8 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 70% | 0.7 | 71% | 0.711 | S | S | * | * | | | trans | -72.1 | 75.2 | -178.4 | -166.7 | 171.5 | -176 | 173 | 0 | 109.5 | T51 F55 | T51-K53 PolarHBondContact O-N 3.43Å; K53-F55 HydrophobicContact CB-CE2 4.26Å; K53-F55 HydrophobicContact CD-CE1 4.34Å; K53-F55 HydrophobicContact CD-CE2 3.91Å; K53-F55 HydrophobicContact CD-CZ 3.63Å; K53-F55 HydrophobicContact CG-CD2 4.31Å; K53-F55 HydrophobicContact CG-CE1 4.37Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 3.88Å; K53-F55 WeakPolarHBondContact O-CD2 3.42Å; K53-F55 PolarHBondContact O-N 3.21Å |
| 54 | N | 54.1 | Low | 60 | Low | 122 Ų | 122 | 139.1 Ų | 139.1 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | | | trans | -66.5 | 78.7 | -179.9 | -75.8 | -15.8 | 0 | 0 | 0 | 110.3 | V52 W56 | V52-N54 WeakPolarHBondContact CG1-OD1 3.18Å; V52-N54 PolarHBondContact O-N 3.08Å; N54-W56 PolarHBondContact O-N 2.75Å |
| 55 | F | 57.3 | Low | 59.5 | Low | 142 Ų | 142 | 142.1 Ų | 142.1 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | | | trans | -57.6 | 124 | 167.8 | -64.9 | -82.7 | 0 | 0 | 0 | 108.3 | K53 K57 | K53-F55 HydrophobicContact CB-CE2 4.26Å; K53-F55 HydrophobicContact CD-CE1 4.34Å; K53-F55 HydrophobicContact CD-CE2 3.91Å; K53-F55 HydrophobicContact CD-CZ 3.63Å; K53-F55 HydrophobicContact CG-CD2 4.31Å; K53-F55 HydrophobicContact CG-CE1 4.37Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 3.88Å; K53-F55 WeakPolarHBondContact O-CD2 3.42Å; K53-F55 PolarHBondContact O-N 3.21Å; F55-K57 HydrophobicContact CB-CB 4.05Å; F55-K57 HydrophobicContact CB-CG 3.75Å; F55-K57 PolarHBondContact O-N 3.22Å |
| 56 | W | 53.8 | Low | 59 | Low | 254 Ų | 254 | 142.6 Ų | 142.6 | 96% | 0.962 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 54.9 | 168.5 | -71.7 | 71.5 | 0 | 0 | 0 | 110.4 | N54 | N54-W56 PolarHBondContact O-N 2.75Š|
| 57 | K | 60.8 | Low | 57.8 | Low | 162 Ų | 162 | 148.5 Ų | 148.5 | 70% | 0.704 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -43.3 | -172 | -101.1 | -76.7 | -179.1 | 176.1 | 0 | 111.8 | F55 P59 | F55-K57 HydrophobicContact CB-CB 4.05Å; F55-K57 HydrophobicContact CB-CG 3.75Å; F55-K57 PolarHBondContact O-N 3.22Å; K57-P59 WeakPolarHBondContact O-CD 3.44Å |
| 58 | D | 56.7 | Low | 56.4 | Low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | -117.9 | 86.8 | 179.2 | -69.2 | -59.8 | 0 | 0 | 0 | 109.9 | V60 | D58-V60 PolarHBondContact O-N 2.8Š|
| 59 | P | 59.8 | Low | 55.1 | Low | 87 Ų | 87 | 154.1 Ų | 154.1 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | | | trans | -61.1 | 123 | 163.1 | 27.2 | -32.9 | 0 | 0 | 0 | 108.3 | K57 I61 | K57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-I61 HydrophobicContact CB-CG1 4.28Å; P59-I61 HydrophobicContact CG-CD1 4.22Å; P59-I61 HydrophobicContact CG-CG1 4.36Å; P59-I61 PolarHBondContact O-N 3.41Å |
| 60 | V | 66.6 | Low | 54.5 | Low | 142 Ų | 142 | 157.1 Ų | 157.1 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -74.2 | 74.5 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | D58 P62 | D58-V60 PolarHBondContact O-N 2.8Å; V60-P62 VanDerWaalsContact O-CD 3.31Å; V60-P62 WeakPolarHBondContact O-CD 3.24Å |
| 61 | I | 68.2 | Low | 53.5 | Low | 129 Ų | 129 | 156.9 Ų | 156.9 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | | | trans | -72.3 | 118.3 | 176.9 | -62.4 | 169.8 | 0 | 0 | 0 | 108.2 | P59 R63 | P59-I61 HydrophobicContact CB-CG1 4.28Å; P59-I61 HydrophobicContact CG-CD1 4.22Å; P59-I61 HydrophobicContact CG-CG1 4.36Å; P59-I61 PolarHBondContact O-N 3.41Å; I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å |
| 62 | P | 56.1 | Low | 52.5 | Low | 116 Ų | 116 | 156.6 Ų | 156.6 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | trans | -61.3 | 118.1 | 177 | -23.4 | 35.4 | 0 | 0 | 0 | 110.6 | V60 H64 | V60-P62 VanDerWaalsContact O-CD 3.31Å; V60-P62 WeakPolarHBondContact O-CD 3.24Å; P62-H64 PolarHBondContact O-N 3.16Å |
| 63 | R | 59.1 | Low | 51.5 | Low | 241 Ų | 241 | 161 Ų | 161 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | -68.4 | 92.9 | -178.4 | -72.2 | -174.3 | 176.2 | -175.6 | -0.4 | 111 | I61 R65 | I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å; R63-R65 PolarHBondContact O-N 3.4Å |
| 64 | H | 57.6 | Low | 50.2 | Low | 138 Ų | 138 | 160.2 Ų | 160.2 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | | | trans | -63.1 | 122.6 | 176.9 | -163.7 | -70 | 0 | 0 | 0 | 110.9 | P62 F66 | P62-H64 PolarHBondContact O-N 3.16Å; H64-F66 HydrophobicContact CB-CD2 4.46Å; H64-F66 AromaticContact CE1-CD1 3.81Å; H64-F66 AromaticContact CE1-CD2 3.76Å; H64-F66 AromaticContact CE1-CE1 3.42Å; H64-F66 VanDerWaalsContact CE1-CE1 3.42Å; H64-F66 WeakPolarHBondContact CE1-CE1 3.21Å; H64-F66 AromaticContact CE1-CE2 3.37Å; H64-F66 WeakPolarHBondContact CE1-CE2 3.4Å; H64-F66 AromaticContact CE1-CG 3.96Å; H64-F66 AromaticContact CE1-CZ 3.18Å; H64-F66 WeakPolarHBondContact CE1-CZ 3.43Å; H64-F66 AromaticContact CG-CD2 3.91Å; H64-F66 AromaticContact CG-CE2 3.77Å; H64-F66 AromaticContact ND1-CD1 3.83Å; H64-F66 AromaticContact ND1-CD2 3.16Å; H64-F66 WeakPolarHBondContact ND1-CD2 3.42Å; H64-F66 AromaticContact ND1-CE1 3.83Å; H64-F66 AromaticContact ND1-CE2 3.17Å; H64-F66 WeakPolarHBondContact ND1-CE2 3.45Å; H64-F66 AromaticContact ND1-CG 3.5Å; H64-F66 AromaticContact ND1-CZ 3.52Å; H64-F66 AromaticContact NE2-CZ 3.85Å; H64-F66 PolarHBondContact O-N 2.87Å |
| 65 | R | 55.3 | Low | 49.3 | Very low | 239 Ų | 239 | 157.4 Ų | 157.4 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | -79.7 | 58.2 | -175.4 | -60.9 | -169 | -171.8 | -167.6 | 5.6 | 113.1 | R63 R67 | R63-R65 PolarHBondContact O-N 3.4Å; R65-R67 PolarHBondContact O-N 3.14Å |
| 66 | F | 52 | Low | 47.9 | Very low | 163 Ų | 163 | 157 Ų | 157 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -73.8 | 113.9 | 167 | -74 | -55.4 | 0 | 0 | 0 | 110.1 | H64 N68 | H64-F66 HydrophobicContact CB-CD2 4.46Å; H64-F66 AromaticContact CE1-CD1 3.81Å; H64-F66 AromaticContact CE1-CD2 3.76Å; H64-F66 AromaticContact CE1-CE1 3.42Å; H64-F66 VanDerWaalsContact CE1-CE1 3.42Å; H64-F66 WeakPolarHBondContact CE1-CE1 3.21Å; H64-F66 AromaticContact CE1-CE2 3.37Å; H64-F66 WeakPolarHBondContact CE1-CE2 3.4Å; H64-F66 AromaticContact CE1-CG 3.96Å; H64-F66 AromaticContact CE1-CZ 3.18Å; H64-F66 WeakPolarHBondContact CE1-CZ 3.43Å; H64-F66 AromaticContact CG-CD2 3.91Å; H64-F66 AromaticContact CG-CE2 3.77Å; H64-F66 AromaticContact ND1-CD1 3.83Å; H64-F66 AromaticContact ND1-CD2 3.16Å; H64-F66 WeakPolarHBondContact ND1-CD2 3.42Å; H64-F66 AromaticContact ND1-CE1 3.83Å; H64-F66 AromaticContact ND1-CE2 3.17Å; H64-F66 WeakPolarHBondContact ND1-CE2 3.45Å; H64-F66 AromaticContact ND1-CG 3.5Å; H64-F66 AromaticContact ND1-CZ 3.52Å; H64-F66 AromaticContact NE2-CZ 3.85Å; H64-F66 PolarHBondContact O-N 2.87Å; F66-N68 PolarHBondContact O-N 3.25Å |
| 67 | R | 41.2 | Very low | 46.9 | Very low | 208 Ų | 208 | 153.2 Ų | 153.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -79 | 105.1 | -178.6 | 170.2 | -176.7 | 168 | -171.3 | 0.8 | 109.6 | R65 | R65-R67 PolarHBondContact O-N 3.14Š|
| 68 | N | 35.2 | Very low | 46 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -55.2 | 141.7 | 169.7 | -67.7 | -12.9 | 0 | 0 | 0 | 110.6 | F66 | F66-N68 PolarHBondContact O-N 3.25Š|
| 69 | K | 35.8 | Very low | 44.7 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -130.7 | 113.4 | 166.9 | -76.3 | -175.4 | 176.3 | -177.6 | 0 | 107.7 | | |
| 70 | E | 45 | Very low | 43.3 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | -71.4 | 140.1 | 167.2 | -61.7 | 167.9 | 115.4 | 0 | 0 | 109.4 | | |
| 71 | V | 36.4 | Very low | 41.5 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -137.8 | 134.9 | 163 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 72 | S | 34.6 | Very low | 39.5 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -79.2 | 132.4 | -169 | 147.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 73 | K | 38.8 | Very low | 38.3 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | | 54.4 | 150.6 | 127.5 | -150.2 | -166 | 171.8 | -175.4 | 0 | 120.7 | | |
| 74 | N | 29.7 | Very low | 37 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | 77.8 | 146.3 | 175 | -34.8 | -44.8 | 0 | 0 | 0 | 113.3 | | |
| 75 | G | 34.6 | Very low | 36 | Very low | 63 Ų | 63 | 145.7 Ų | 145.7 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | cis | 170.7 | 156.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 76 | D | 28.8 | Very low | 34.9 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | 68.1 | 159.6 | 170.5 | -57 | -41.1 | 0 | 0 | 0 | 116.9 | | |
| 77 | K | 33 | Very low | 34 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | cis | 127.8 | 133.6 | -10.5 | -80.7 | 172.6 | -148.7 | 138 | 0 | 111.8 | | |
| 78 | I | 40.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -122 | -121.7 | -15.8 | -34.9 | 78.5 | 0 | 0 | 0 | 109.1 | | |
| 79 | T | 29.8 | Very low | 33.8 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | cis | -159.2 | 169.3 | -1 | -32.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 80 | T | 30.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -128.6 | 143.1 | -175.7 | -53.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 81 | C | 29.2 | Very low | 34 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -158.4 | 138.5 | 154.4 | -86.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 82 | E | 26.4 | Very low | 34.6 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | | 64.9 | 130.1 | 58.3 | -72 | -73.6 | 133.7 | 0 | 0 | 114.3 | | |
| 83 | A | 30.1 | Very low | 35.3 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | cis | -171.1 | 178.1 | -21.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 84 | S | 31.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 109.8 | 146.2 | 160.7 | -156.6 | 0 | 0 | 0 | 0 | 119 | | |
| 85 | P | 36.7 | Very low | 36.6 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | -136.2 | 177.4 | -158.4 | 43.2 | -24.8 | 0 | 0 | 0 | 119.2 | | |
| 86 | K | 31.9 | Very low | 37.3 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | 92.5 | 118.7 | 158.3 | -60.2 | 165.1 | -178.4 | 169.8 | 0 | 120.2 | | |
| 87 | S | 32.6 | Very low | 38.6 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | -167.7 | 151.6 | 108 | 55.2 | 0 | 0 | 0 | 0 | 111 | | |
| 88 | P | 39.5 | Very low | 39.7 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -98.4 | 136.6 | -175.4 | 35.6 | -32.1 | 0 | 0 | 0 | 114.1 | | |
| 89 | G | 32.8 | Very low | 40.6 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -106.4 | 163.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 90 | P | 45 | Very low | 41.9 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -81.3 | 149.7 | -168 | 31.8 | -36.2 | 0 | 0 | 0 | 115.1 | | |
| 91 | V | 41.3 | Very low | 43 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -78.3 | 124.5 | -179 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 92 | V | 47.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -111 | 132.8 | 169.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | A94 | V92-A94 PolarHBondContact O-N 2.75Š|
| 93 | K | 50.7 | Low | 46 | Very low | 204 Ų | 204 | 122 Ų | 122 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | | | trans | -72.9 | 95 | 178.7 | -64.1 | -178.3 | -176.2 | 178.3 | 0 | 110.9 | | |
| 94 | A | 47.9 | Very low | 47.4 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | | | trans | -68.6 | 140.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V92 | V92-A94 PolarHBondContact O-N 2.75Š|
| 95 | K | 47.7 | Very low | 48.8 | Very low | 200 Ų | 200 | 121.9 Ų | 121.9 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | | | trans | -129.2 | 140.8 | -177.8 | -165.4 | -178.7 | -176.8 | -174.9 | 0 | 109.5 | | |
| 96 | A | 49.6 | Very low | 50 | Low | 80 Ų | 80 | 124.6 Ų | 124.6 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | | | trans | 69.1 | 115.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 97 | T | 54.8 | Low | 51.6 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | | | trans | -114.1 | 31.6 | 165.3 | 45.3 | 0 | 0 | 0 | 0 | 111.7 | L99 M100 | T97-L99 PolarHBondContact O-N 2.72Å; T97-L99 VanDerWaalsContact O-N 3.08Å; T97-M100 PolarHBondContact O-N 2.74Å |
| 98 | T | 57.5 | Low | 53.2 | Low | 101 Ų | 101 | 120 Ų | 120 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -54.6 | -31.7 | -169.3 | -47.2 | 0 | 0 | 0 | 0 | 114.7 | M100 S101 S102 | T98-M100 PolarHBondContact O-N 3.27Å; T98-S101 PolarHBondContact O-N 3.32Å; T98-S102 PolarHBondContact O-N 3.03Å; T98-S102 VanDerWaalsContact O-N 3.13Å |
| 99 | L | 59.5 | Low | 54.6 | Low | 152 Ų | 152 | 120.1 Ų | 120.1 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62 | -38.6 | -178.4 | -63.2 | 176.9 | 0 | 0 | 0 | 113 | T97 S102 L103 | T97-L99 PolarHBondContact O-N 2.72Å; T97-L99 VanDerWaalsContact O-N 3.08Å; L99-S102 PolarHBondContact O-N 3.12Å; L99-L103 PolarHBondContact O-N 3.01Å |
| 100 | M | 56.8 | Low | 56.3 | Low | 126 Ų | 126 | 121.4 Ų | 121.4 | 62% | 0.621 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68 | -40.1 | -179.9 | -66.2 | -59.2 | -66.1 | 0 | 0 | 111.9 | T97 T98 L103 M104 | T97-M100 PolarHBondContact O-N 2.74Å; T98-M100 PolarHBondContact O-N 3.27Å; M100-L103 PolarHBondContact O-N 2.99Å; M100-M104 WeakPolarHBondContact O-CG 3.44Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.14Å |
| 101 | S | 53.2 | Low | 57.5 | Low | 84 Ų | 84 | 120.6 Ų | 120.6 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | T98 L103 M104 S105 | T98-S101 PolarHBondContact O-N 3.32Å; S101-L103 PolarHBondContact O-N 3.48Å; S101-M104 PolarHBondContact O-N 3.48Å; S101-S105 PolarHBondContact O-N 2.95Å; S101-S105 PolarHBondContact O-OG 2.83Å |
| 102 | S | 57.2 | Low | 58.9 | Low | 59 Ų | 59 | 118.5 Ų | 118.5 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64 | -37 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 113.2 | T98 L99 S105 R106 | T98-S102 PolarHBondContact O-N 3.03Å; T98-S102 VanDerWaalsContact O-N 3.13Å; L99-S102 PolarHBondContact O-N 3.12Å; S102-S105 PolarHBondContact O-OG 3.28Å; S102-R106 WeakPolarHBondContact O-CG 3.43Å; S102-R106 PolarHBondContact O-N 3.35Å |
| 103 | L | 62.9 | Low | 60 | Low | 110 Ų | 110 | 117 Ų | 117 | 58% | 0.576 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.4 | -46.1 | 175.3 | -175.5 | 63.7 | 0 | 0 | 0 | 111.6 | L99 M100 S101 Q107 | L99-L103 PolarHBondContact O-N 3.01Å; M100-L103 PolarHBondContact O-N 2.99Å; S101-L103 PolarHBondContact O-N 3.48Å; L103-Q107 WeakPolarHBondContact O-CB 3.15Å; L103-Q107 PolarHBondContact O-N 3.18Å |
| 104 | M | 59.4 | Low | 61 | Low | 132 Ų | 132 | 112.8 Ų | 112.8 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | -179.2 | -70.8 | -173.5 | 70.3 | 0 | 0 | 112.8 | M100 S101 S108 | M100-M104 WeakPolarHBondContact O-CG 3.44Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.14Å; S101-M104 PolarHBondContact O-N 3.48Å; M104-S108 WeakPolarHBondContact O-CB 3.4Å; M104-S108 PolarHBondContact O-N 3.2Å |
| 105 | S | 61.2 | Low | 62.2 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 178 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | S101 S102 S108 Q109 | S101-S105 PolarHBondContact O-N 2.95Å; S101-S105 PolarHBondContact O-OG 2.83Å; S102-S105 PolarHBondContact O-OG 3.28Å; S105-S108 PolarHBondContact O-N 3.32Å; S105-Q109 WeakPolarHBondContact O-CB 3.17Å; S105-Q109 PolarHBondContact O-N 2.88Å |
| 106 | R | 60.9 | Low | 63.4 | Low | 158 Ų | 158 | 106.6 Ų | 106.6 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 176.8 | -67.9 | -176 | 73.6 | 168.8 | 5.6 | 112.4 | S102 S108 Q109 E110 | S102-R106 WeakPolarHBondContact O-CG 3.43Å; S102-R106 PolarHBondContact O-N 3.35Å; R106-S108 VanDerWaalsContact C-N 3.28Å; R106-S108 PolarHBondContact O-N 3.31Å; R106-Q109 PolarHBondContact O-N 3.01Å; R106-E110 PolarHBondContact O-N 3.41Å |
| 107 | Q | 66.6 | Low | 64.5 | Low | 136 Ų | 136 | 108.1 Ų | 108.1 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.2 | -38.1 | 175.5 | -174.1 | 179.1 | 0.5 | 0 | 0 | 112 | L103 N111 | L103-Q107 WeakPolarHBondContact O-CB 3.15Å; L103-Q107 PolarHBondContact O-N 3.18Å; Q107-N111 WeakPolarHBondContact O-CB 3.18Å; Q107-N111 PolarHBondContact O-N 3.13Å |
| 108 | S | 65.3 | Low | 65.3 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.4 | -47.2 | 174.8 | -168.2 | 0 | 0 | 0 | 0 | 112 | M104 S105 R106 E110 N111 L112 | M104-S108 WeakPolarHBondContact O-CB 3.4Å; M104-S108 PolarHBondContact O-N 3.2Å; S105-S108 PolarHBondContact O-N 3.32Å; R106-S108 VanDerWaalsContact C-N 3.28Å; R106-S108 PolarHBondContact O-N 3.31Å; S108-E110 PolarHBondContact O-N 3.48Å; S108-N111 WeakPolarHBondContact O-CB 3.29Å; S108-N111 PolarHBondContact O-N 2.99Å; S108-N111 VanDerWaalsContact O-N 3.13Å; S108-L112 PolarHBondContact O-N 3.47Å |
| 109 | Q | 68.9 | Low | 65.7 | Low | 135 Ų | 135 | 108.1 Ų | 108.1 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.7 | -45.3 | -179.6 | -173.4 | 178.9 | 15.9 | 0 | 0 | 112.4 | S105 R106 N111 L112 Q113 | S105-Q109 WeakPolarHBondContact O-CB 3.17Å; S105-Q109 PolarHBondContact O-N 2.88Å; R106-Q109 PolarHBondContact O-N 3.01Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; Q109-L112 PolarHBondContact O-N 3.27Å; Q109-Q113 PolarHBondContact O-N 2.96Å |
| 110 | E | 68.4 | Low | 65.7 | Low | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 175.2 | -81.4 | -168.4 | -136.6 | 0 | 0 | 113.1 | R106 S108 K114 | R106-E110 PolarHBondContact O-N 3.41Å; S108-E110 PolarHBondContact O-N 3.48Å; E110-K114 WeakPolarHBondContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CD 3.06Å; E110-K114 WeakPolarHBondContact O-CE 3.4Å; E110-K114 WeakPolarHBondContact O-CG 3.39Å; E110-K114 PolarHBondContact O-N 3.3Å; E110-K114 VanDerWaalsContact O-N 3.14Å; E110-K114 IonicContact OE2-NZ 2.72Å; E110-K114 PolarHBondContact OE2-NZ 3.31Å |
| 111 | N | 69.3 | Low | 66 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.5 | -44.1 | 177.7 | -167.3 | 8 | 0 | 0 | 0 | 110.8 | Q107 S108 Q109 Q113 K114 F115 | Q107-N111 WeakPolarHBondContact O-CB 3.18Å; Q107-N111 PolarHBondContact O-N 3.13Å; S108-N111 WeakPolarHBondContact O-CB 3.29Å; S108-N111 PolarHBondContact O-N 2.99Å; S108-N111 VanDerWaalsContact O-N 3.13Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; N111-Q113 PolarHBondContact O-N 3.01Å; N111-K114 PolarHBondContact O-N 3.39Å; N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 3.27Å |
| 112 | L | 71.9 | Confident | 66.4 | Low | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 174.6 | -171.4 | 72.1 | 0 | 0 | 0 | 111.3 | S108 Q109 K114 F115 E116 | S108-L112 PolarHBondContact O-N 3.47Å; Q109-L112 PolarHBondContact O-N 3.27Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.26Å; L112-F115 CarbonylContact O-C 3.59Å; L112-F115 WeakPolarHBondContact O-CB 3.38Å; L112-F115 PolarHBondContact O-N 3.19Å; L112-F115 VanDerWaalsContact O-N 3.16Å; L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.13Å |
| 113 | Q | 70.3 | Confident | 66.4 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 177.2 | -173.5 | -176.6 | -0.6 | 0 | 0 | 112.3 | Q109 N111 F115 E116 H117 | Q109-Q113 PolarHBondContact O-N 2.96Å; N111-Q113 PolarHBondContact O-N 3.01Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; Q113-E116 PolarHBondContact O-N 2.94Å; Q113-H117 PolarHBondContact NE2-NE2 2.99Å; Q113-H117 PolarHBondContact O-CD2 3.06Å; Q113-H117 PolarHBondContact O-N 3.02Å |
| 114 | K | 71.8 | Confident | 66.2 | Low | 116 Ų | 116 | 104.6 Ų | 104.6 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 176.4 | -71 | 161 | -159.8 | 165.2 | 0 | 111.3 | E110 N111 L112 Q118 | E110-K114 WeakPolarHBondContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CD 3.06Å; E110-K114 WeakPolarHBondContact O-CE 3.4Å; E110-K114 WeakPolarHBondContact O-CG 3.39Å; E110-K114 PolarHBondContact O-N 3.3Å; E110-K114 VanDerWaalsContact O-N 3.14Å; E110-K114 IonicContact OE2-NZ 2.72Å; E110-K114 PolarHBondContact OE2-NZ 3.31Å; N111-K114 PolarHBondContact O-N 3.39Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.26Å; K114-Q118 VanDerWaalsContact O-CB 3.24Å; K114-Q118 WeakPolarHBondContact O-CB 3.46Å; K114-Q118 PolarHBondContact O-N 2.96Å |
| 115 | F | 73.4 | Confident | 65.9 | Low | 118 Ų | 118 | 104.5 Ų | 104.5 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -45.6 | 172.5 | 175.6 | -96.6 | 0 | 0 | 0 | 112.4 | N111 L112 Q113 H117 Q118 A119 L121 | N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 3.27Å; L112-F115 CarbonylContact O-C 3.59Å; L112-F115 WeakPolarHBondContact O-CB 3.38Å; L112-F115 PolarHBondContact O-N 3.19Å; L112-F115 VanDerWaalsContact O-N 3.16Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; F115-H117 PolarHBondContact O-N 2.96Å; F115-Q118 PolarHBondContact O-N 3.02Å; F115-A119 HydrophobicContact CE1-CB 4.39Å; F115-A119 HydrophobicContact CZ-CB 4.29Å; F115-A119 WeakPolarHBondContact O-CB 3.41Å; F115-A119 PolarHBondContact O-N 3.42Å; F115-L121 HydrophobicContact CE1-CD1 4.22Å |
| 116 | E | 73.4 | Confident | 65.2 | Low | 58 Ų | 58 | 108.8 Ų | 108.8 | 27% | 0.271 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.7 | -48.7 | 175.4 | -74 | 168.1 | -170.1 | 0 | 0 | 111.3 | L112 Q113 G120 L121 | L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.13Å; Q113-E116 PolarHBondContact O-N 2.94Å; E116-G120 PolarHBondContact O-N 2.91Å; E116-L121 PolarHBondContact O-N 3.3Å |
| 117 | H | 72.8 | Confident | 65 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | 175.7 | -69.5 | -49.1 | 0 | 0 | 0 | 113 | Q113 F115 T122 | Q113-H117 PolarHBondContact NE2-NE2 2.99Å; Q113-H117 PolarHBondContact O-CD2 3.06Å; Q113-H117 PolarHBondContact O-N 3.02Å; F115-H117 PolarHBondContact O-N 2.96Å; H117-T122 WeakPolarHBondContact ND1-CG2 3.4Å |
| 118 | Q | 70.4 | Confident | 64.5 | Low | 175 Ų | 175 | 102.1 Ų | 102.1 | 82% | 0.818 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.8 | -28 | -178.3 | -173.1 | 170.4 | 4.1 | 0 | 0 | 113.4 | K114 F115 G120 | K114-Q118 VanDerWaalsContact O-CB 3.24Å; K114-Q118 WeakPolarHBondContact O-CB 3.46Å; K114-Q118 PolarHBondContact O-N 2.96Å; F115-Q118 PolarHBondContact O-N 3.02Å; Q118-G120 VanDerWaalsContact C-N 3.33Å |
| 119 | A | 65.8 | Low | 63.9 | Low | 51 Ų | 51 | 104.6 Ų | 104.6 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -3.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F115 L121 | F115-A119 HydrophobicContact CE1-CB 4.39Å; F115-A119 HydrophobicContact CZ-CB 4.29Å; F115-A119 WeakPolarHBondContact O-CB 3.41Å; F115-A119 PolarHBondContact O-N 3.42Å; A119-L121 HydrophobicContact CB-CD1 3.89Å; A119-L121 HydrophobicContact CB-CG 3.85Å; A119-L121 PolarHBondContact O-N 3.02Å |
| 120 | G | 60.1 | Low | 63.6 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 53% | 0.526 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.2 | 16.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E116 Q118 T122 | E116-G120 PolarHBondContact O-N 2.91Å; Q118-G120 VanDerWaalsContact C-N 3.33Å; G120-T122 PolarHBondContact O-N 3.02Å |
| 121 | L | 63.5 | Low | 63.1 | Low | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | | | trans | -85 | 28.2 | 179.7 | -61.7 | 175.1 | 0 | 0 | 0 | 112.2 | F115 E116 A119 | F115-L121 HydrophobicContact CE1-CD1 4.22Å; E116-L121 PolarHBondContact O-N 3.3Å; A119-L121 HydrophobicContact CB-CD1 3.89Å; A119-L121 HydrophobicContact CB-CG 3.85Å; A119-L121 PolarHBondContact O-N 3.02Å |
| 122 | T | 60.4 | Low | 62.4 | Low | 60 Ų | 60 | 108.7 Ų | 108.7 | 37% | 0.368 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -74 | 145.6 | 166.6 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | H117 G120 A124 | H117-T122 WeakPolarHBondContact ND1-CG2 3.4Å; G120-T122 PolarHBondContact O-N 3.02Å; T122-A124 PolarHBondContact O-N 3.26Å |
| 123 | E | 56.7 | Low | 61.4 | Low | 144 Ų | 144 | 109.6 Ų | 109.6 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -64.2 | 7.3 | -176.1 | -152.5 | 170.5 | 179.9 | 0 | 0 | 114.3 | V125 T137 | E123-V125 PolarHBondContact O-N 3.15Å; E123-T137 PolarHBondContact OE1-OG1 2.98Å |
| 124 | A | 59.2 | Low | 60.8 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 70% | 0.702 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -84.2 | 2.1 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T122 | T122-A124 PolarHBondContact O-N 3.26Š|
| 125 | V | 52.9 | Low | 60.2 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 78% | 0.782 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -122.7 | -16.3 | -175.4 | -168.4 | 0 | 0 | 0 | 0 | 113.3 | E123 S127 | E123-V125 PolarHBondContact O-N 3.15Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.35Å |
| 126 | Y | 47.9 | Very low | 59.4 | Low | 157 Ų | 157 | 111.8 Ų | 111.8 | 62% | 0.616 | 62% | 0.624 | S | S | * | * | | | trans | -82.2 | 78.2 | 176 | -162.3 | -100.2 | 0 | 0 | 0 | 111.3 | P128 H129 | Y126-P128 VanDerWaalsContact O-CD 3.25Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; Y126-H129 PolarHBondContact OH-NE2 3.47Å |
| 127 | S | 55 | Low | 58.5 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | | | trans | -64.7 | 115.9 | 161.5 | -73.3 | 0 | 0 | 0 | 0 | 108.8 | V125 | V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.35Å |
| 128 | P | 56.4 | Low | 57.4 | Low | 52 Ų | 52 | 115.3 Ų | 115.3 | 34% | 0.338 | 65% | 0.647 | S | S | . | * | | | trans | -60.5 | 141.9 | -179.3 | -22.8 | 34.5 | 0 | 0 | 0 | 111.2 | Y126 K130 L132 A134 | Y126-P128 VanDerWaalsContact O-CD 3.25Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-K130 PolarHBondContact O-N 3.4Å; P128-L132 HydrophobicContact CB-CB 4.29Å; P128-L132 WeakPolarHBondContact CB-O 3.33Å; P128-A134 HydrophobicContact CG-CB 4.15Å |
| 129 | H | 54.2 | Low | 56.3 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 61% | 0.611 | 64% | 0.642 | S | S | * | * | | | trans | -58.7 | 132.5 | 171.3 | -45.6 | -40.9 | 0 | 0 | 0 | 108.6 | Y126 G131 L132 | Y126-H129 PolarHBondContact OH-NE2 3.47Å; H129-G131 PolarHBondContact O-N 3.05Å; H129-L132 PolarHBondContact O-N 3.14Å |
| 130 | K | 60.8 | Low | 55.6 | Low | 224 Ų | 224 | 120.5 Ų | 120.5 | 97% | 0.974 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | 99.5 | -167.4 | -65.9 | -174.5 | 178.9 | -175.4 | 0 | 112 | P128 | P128-K130 PolarHBondContact O-N 3.4Š|
| 131 | G | 57.8 | Low | 55.3 | Low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.1 | -18.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H129 | H129-G131 PolarHBondContact O-N 3.05Š|
| 132 | L | 55.6 | Low | 54.8 | Low | 127 Ų | 127 | 128.7 Ų | 128.7 | 67% | 0.665 | 68% | 0.682 | S | S | * | * | | | trans | -109 | 116.9 | 175.9 | -64.7 | 175.4 | 0 | 0 | 0 | 111.4 | P128 H129 | P128-L132 HydrophobicContact CB-CB 4.29Å; P128-L132 WeakPolarHBondContact CB-O 3.33Å; H129-L132 PolarHBondContact O-N 3.14Å |
| 133 | T | 50.8 | Low | 54 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | | | trans | -86.2 | 118.8 | 179.1 | 41.4 | 0 | 0 | 0 | 0 | 111.3 | E135 | T133-E135 PolarHBondContact O-N 2.74Š|
| 134 | A | 57.8 | Low | 53.5 | Low | 63 Ų | 63 | 132.7 Ų | 132.7 | 52% | 0.521 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | 37.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P128 | P128-A134 HydrophobicContact CG-CB 4.15Š|
| 135 | E | 59.8 | Low | 53 | Low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -18.9 | -179.6 | -69.1 | -173 | 119.2 | 0 | 0 | 113.2 | T133 F139 | T133-E135 PolarHBondContact O-N 2.74Å; E135-F139 WeakPolarHBondContact O-CE2 3.47Å |
| 136 | E | 56.6 | Low | 52.8 | Low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -78.3 | -23.7 | -171.5 | -160.2 | 168.3 | -166.1 | 0 | 0 | 114.3 | Q138 | E136-Q138 PolarHBondContact O-N 2.79Š|
| 137 | T | 54.4 | Low | 53.1 | Low | 87 Ų | 87 | 135.4 Ų | 135.4 | 53% | 0.534 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -78 | -12.2 | -177.7 | 44.8 | 0 | 0 | 0 | 0 | 115.1 | E123 | E123-T137 PolarHBondContact OE1-OG1 2.98Š|
| 138 | Q | 49.8 | Very low | 52.7 | Low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -81 | -16.5 | -172.5 | -60.8 | -163.5 | 14.4 | 0 | 0 | 114.9 | E136 H140 | E136-Q138 PolarHBondContact O-N 2.79Å; Q138-H140 PolarHBondContact O-N 2.85Å |
| 139 | F | 47.7 | Very low | 52.3 | Low | 162 Ų | 162 | 142.8 Ų | 142.8 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -69.3 | -3.7 | -169.4 | -70.8 | -75.8 | 0 | 0 | 0 | 116.4 | E135 | E135-F139 WeakPolarHBondContact O-CE2 3.47Š|
| 140 | H | 50.8 | Low | 52.1 | Low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -109.3 | -2.1 | -174.3 | -73.4 | -51.9 | 0 | 0 | 0 | 116.5 | Q138 | Q138-H140 PolarHBondContact O-N 2.85Š|
| 141 | R | 52.3 | Low | 51.7 | Low | 204 Ų | 204 | 143.1 Ų | 143.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -98 | -5.7 | -176.1 | -73.5 | -168.5 | 176 | -155.8 | -3.4 | 116.5 | | |
| 142 | V | 53.1 | Low | 51.4 | Low | 136 Ų | 136 | 147.5 Ų | 147.5 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -137.9 | 92.2 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 143 | S | 44.8 | Very low | 51.1 | Low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -134 | 34.2 | 173.5 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 144 | D | 46.8 | Very low | 50.6 | Low | 170 Ų | 170 | 143.7 Ų | 143.7 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | | | trans | -103 | 86.1 | 169.2 | -159.8 | -1.8 | 0 | 0 | 0 | 108.8 | | |
| 145 | G | 48 | Very low | 49.9 | Very low | 64 Ų | 64 | 148.7 Ų | 148.7 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 177.3 | 79.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 146 | K | 47.8 | Very low | 49.4 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | 39.8 | 91.7 | 155.6 | -171.2 | -169.8 | 177.3 | -174.1 | 0 | 116.2 | | |
| 147 | L | 54.3 | Low | 48.8 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -40.9 | 126.8 | 171.1 | -65.3 | 170.8 | 0 | 0 | 0 | 113.1 | K149 | L147-K149 PolarHBondContact O-N 2.78Å; L147-K149 VanDerWaalsContact O-N 3.13Å |
| 148 | P | 47.8 | Very low | 48.3 | Very low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | trans | -66.4 | 112.6 | 165.8 | 27.4 | -31.8 | 0 | 0 | 0 | 108.7 | L150 | P148-L150 PolarHBondContact O-N 2.98Š|
| 149 | K | 47.8 | Very low | 48.1 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -65.9 | 92.9 | -175.6 | -176 | -179.4 | -179.9 | 179.9 | 0 | 110.7 | L147 R151 | L147-K149 PolarHBondContact O-N 2.78Å; L147-K149 VanDerWaalsContact O-N 3.13Å; K149-R151 PolarHBondContact O-N 3.07Å |
| 150 | L | 49.5 | Very low | 47.8 | Very low | 159 Ų | 159 | 162 Ų | 162 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -60.8 | 99.1 | 174 | -73.6 | 174.2 | 0 | 0 | 0 | 110.3 | P148 M152 | P148-L150 PolarHBondContact O-N 2.98Å; L150-M152 PolarHBondContact O-N 3.04Å |
| 151 | R | 53.6 | Low | 47.5 | Very low | 203 Ų | 203 | 162 Ų | 162 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | | | trans | -79.5 | 98.1 | 174.5 | 171.6 | -114.1 | -178.9 | 168.3 | 0.9 | 108.9 | K149 P153 | K149-R151 PolarHBondContact O-N 3.07Å; R151-P153 VanDerWaalsContact O-CD 3.28Å; R151-P153 WeakPolarHBondContact O-CD 3.44Å |
| 152 | M | 51.5 | Low | 46.6 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | | | trans | -63.9 | 124.9 | 164.7 | -60.4 | -57.5 | -69.9 | 0 | 0 | 109.5 | L150 | L150-M152 PolarHBondContact O-N 3.04Š|
| 153 | P | 48.4 | Very low | 46 | Very low | 95 Ų | 95 | 158.5 Ų | 158.5 | 62% | 0.617 | 83% | 0.831 | S | S | * | * | | | trans | -99.1 | 127.3 | 167.8 | 8.4 | 12.6 | 0 | 0 | 0 | 110 | R151 | R151-P153 VanDerWaalsContact O-CD 3.28Å; R151-P153 WeakPolarHBondContact O-CD 3.44Å |
| 154 | G | 39.9 | Very low | 45.6 | Very low | 70 Ų | 70 | 158.6 Ų | 158.6 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | | | trans | 145.6 | 45.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | F156 | G154-F156 PolarHBondContact O-N 3.44Š|
| 155 | D | 44.3 | Very low | 45.4 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -80.3 | 94.1 | 158.3 | -78.6 | -52 | 0 | 0 | 0 | 109.2 | | |
| 156 | F | 47.6 | Very low | 44.9 | Very low | 204 Ų | 204 | 160.5 Ų | 160.5 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | | | trans | -134.8 | 140.4 | 166.8 | -84.9 | -77 | 0 | 0 | 0 | 112.1 | G154 | G154-F156 PolarHBondContact O-N 3.44Š|
| 157 | K | 45.4 | Very low | 44.3 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | | | trans | -92.7 | 123.3 | -176.3 | -70.3 | -90 | -166.1 | 172 | 0 | 110.1 | | |
| 158 | E | 43.5 | Very low | 43.8 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | | | trans | -168.8 | 141.9 | 137.4 | 45.4 | -162.8 | 154 | 0 | 0 | 112.7 | | |
| 159 | D | 45.1 | Very low | 43.7 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | | | trans | -76.5 | 120.6 | 170.2 | -80.5 | -67.6 | 0 | 0 | 0 | 110.3 | | |
| 160 | R | 41.1 | Very low | 43.1 | Very low | 237 Ų | 237 | 152.3 Ų | 152.3 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | | | trans | -160.6 | 136.4 | 138.5 | -115.8 | 165.3 | -174.2 | -161 | -1 | 114.7 | S162 | R160-S162 PolarHBondContact O-N 3.32Š|
| 161 | L | 44.3 | Very low | 42.3 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | -61.8 | 126.5 | 166.6 | -60.9 | 169.1 | 0 | 0 | 0 | 109.1 | | |
| 162 | S | 34 | Very low | 41.6 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | | | trans | -147.3 | 108.1 | 171.1 | -78.8 | 0 | 0 | 0 | 0 | 110.6 | R160 | R160-S162 PolarHBondContact O-N 3.32Š|
| 163 | T | 40.8 | Very low | 41.6 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 93% | 0.933 | 83% | 0.83 | S | S | * | * | | | trans | -79.7 | 117.2 | 173.9 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 164 | S | 36.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | | | trans | -152.5 | 152.9 | 155.5 | -165.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 165 | A | 41.1 | Very low | 40.9 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 72% | 0.719 | 84% | 0.842 | S | S | * | * | | | trans | -100.1 | -180 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 166 | Q | 38.3 | Very low | 40.7 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | | | trans | 70.5 | 108.9 | 161.1 | -173.3 | 178.5 | -10.2 | 0 | 0 | 118 | | |
| 167 | S | 35 | Very low | 40.7 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | | -173.2 | 143.4 | 111.1 | 36.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 168 | T | 43.7 | Very low | 40.6 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -98.8 | 142.6 | 162.7 | 36.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 169 | P | 45.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | trans | -87.6 | 129.1 | 178.8 | 33 | -32.4 | 0 | 0 | 0 | 112.1 | | |
| 170 | S | 35.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -155.6 | 117.3 | 161.9 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 171 | G | 33.8 | Very low | 40.7 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | trans | -98 | 167.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 172 | T | 38 | Very low | 40.8 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | cis | -146.3 | 173.3 | 27.1 | 31.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 173 | P | 51.4 | Low | 41.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -98.2 | 161.1 | -157.7 | 37.5 | -36.2 | 0 | 0 | 0 | 116.1 | | |
| 174 | S | 37.3 | Very low | 41.4 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -147.1 | 118.3 | 159.3 | -164.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 175 | V | 36.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | | | trans | -14.9 | 111.4 | 160.9 | -179.1 | 0 | 0 | 0 | 0 | 119 | | |
| 176 | T | 40.2 | Very low | 42 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 37.3 | 159.5 | 137.3 | 65 | 0 | 0 | 0 | 0 | 123.9 | | |
| 177 | P | 47.3 | Very low | 42 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | cis | -132.7 | 155.8 | -12.3 | 33.5 | -14.4 | 0 | 0 | 0 | 116.7 | | |
| 178 | S | 43 | Very low | 42.1 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | 35.1 | 97.3 | 141.9 | -177.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 179 | V | 37.8 | Very low | 42.3 | Very low | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | | -142.3 | 129.7 | 126 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 180 | T | 48.3 | Very low | 42.3 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -93.1 | 144.2 | 165.1 | 36.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 181 | P | 46 | Very low | 42.8 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | | -131.2 | 156.3 | 104.8 | 37.2 | -30.8 | 0 | 0 | 0 | 113.6 | | |
| 182 | S | 45.5 | Very low | 43.4 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 139.8 | 176.5 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 183 | V | 41.1 | Very low | 43.7 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -132.1 | 108.2 | 164.6 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 184 | T | 47.8 | Very low | 43.9 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | | | trans | -69.7 | 138.9 | 172.3 | -47.9 | 0 | 0 | 0 | 0 | 109.5 | L186 | T184-L186 PolarHBondContact O-N 3.33Š|
| 185 | P | 43.5 | Very low | 44.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -65.6 | 107.7 | 175.1 | 26.7 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 186 | L | 46 | Very low | 44.9 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 138.3 | -179.6 | -162.8 | 70.8 | 0 | 0 | 0 | 111 | T184 | T184-L186 PolarHBondContact O-N 3.33Š|
| 187 | S | 38.9 | Very low | 45.2 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 157.2 | -177.2 | -165 | 0 | 0 | 0 | 0 | 113.4 | | |
| 188 | S | 37 | Very low | 44.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 136.9 | -172.9 | -50.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 189 | P | 48.1 | Very low | 44.6 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130.6 | 164.4 | -14 | 29.4 | 0 | 0 | 0 | 111.3 | V191 | P189-V191 PolarHBondContact O-N 3.1Š|
| 190 | A | 44.1 | Very low | 44.5 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | N192 | A190-N192 PolarHBondContact O-N 3.28Š|
| 191 | V | 47.8 | Very low | 44.3 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 118.2 | -180 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | P189 | P189-V191 PolarHBondContact O-N 3.1Š|
| 192 | N | 45.1 | Very low | 44 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 140 | -178.2 | -168.1 | -5.1 | 0 | 0 | 0 | 112.1 | A190 R194 | A190-N192 PolarHBondContact O-N 3.28Å; N192-R194 PolarHBondContact O-N 3.41Å |
| 193 | R | 45.8 | Very low | 43.7 | Very low | 226 Ų | 226 | 151.6 Ų | 151.6 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -77.9 | 109.8 | -178 | -70.4 | -178.1 | 178 | -99.8 | 2.1 | 111.4 | N195 | R193-N195 PolarHBondContact O-N 3.13Š|
| 194 | R | 54.4 | Low | 43.4 | Very low | 236 Ų | 236 | 155.9 Ų | 155.9 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -81.3 | 99.5 | 166.9 | -71.8 | 179.4 | 173 | 153.4 | -2 | 110.3 | N192 | N192-R194 PolarHBondContact O-N 3.41Š|
| 195 | N | 46.6 | Very low | 42.8 | Very low | 160 Ų | 160 | 157.1 Ų | 157.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | trans | -72.7 | 132.3 | 165.3 | -95.3 | -8.6 | 0 | 0 | 0 | 109.6 | R193 | R193-N195 PolarHBondContact O-N 3.13Š|
| 196 | W | 47.8 | Very low | 42.2 | Very low | 216 Ų | 216 | 157 Ų | 157 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -107.6 | -2 | -172.9 | -163.2 | -90.8 | 0 | 0 | 0 | 114.6 | | |
| 197 | F | 46.8 | Very low | 41.4 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -127.8 | 75.7 | -170.7 | -63.8 | -68.9 | 0 | 0 | 0 | 114.1 | | |
| 198 | Q | 37.2 | Very low | 41.8 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -144.8 | 108.1 | 155.9 | -71.8 | -166.6 | -14.7 | 0 | 0 | 109.7 | | |
| 199 | L | 41.3 | Very low | 41.9 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | | | trans | -141.1 | 92.9 | 173 | -75.5 | 178.9 | 0 | 0 | 0 | 110 | | |
| 200 | S | 35.4 | Very low | 41.9 | Very low | 121 Ų | 121 | 156 Ų | 156 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -148.3 | 103 | 171.6 | -65 | 0 | 0 | 0 | 0 | 111 | | |
| 201 | P | 44.5 | Very low | 41.5 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -105.3 | 150.1 | 171.5 | 4 | 17.8 | 0 | 0 | 0 | 113.2 | | |
| 202 | T | 39.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 162.2 Ų | 162.2 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | | | trans | -154.1 | 168.8 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 203 | H | 38.9 | Very low | 41.2 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | cis | -140.2 | 138.2 | -0.9 | -48.6 | -110.1 | 0 | 0 | 0 | 109.8 | | |
| 204 | Y | 34 | Very low | 41 | Very low | 227 Ų | 227 | 157.5 Ų | 157.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -160.6 | 152.5 | 165.1 | -73.1 | -53.8 | 0 | 0 | 0 | 110.5 | | |
| 205 | I | 35.9 | Very low | 40.9 | Very low | 142 Ų | 142 | 152 Ų | 152 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | | | cis | -161 | 159.4 | -32.8 | -153.7 | 174.2 | 0 | 0 | 0 | 109.3 | | |
| 206 | T | 30.9 | Very low | 40.6 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | 56.3 | 107 | 163 | -57.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 207 | A | 30 | Very low | 40.7 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | | -177.1 | 154.2 | 127 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 208 | P | 46.5 | Very low | 40.5 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -108.7 | 153.8 | -165.9 | 39.5 | -34.5 | 0 | 0 | 0 | 117.9 | | |
| 209 | E | 38.7 | Very low | 41 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 23.9 | 156.3 | 138.3 | -81.3 | -85.6 | 130.4 | 0 | 0 | 122.2 | | |
| 210 | P | 47.7 | Very low | 41.1 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | cis | -141.9 | -167.4 | 18.9 | 32 | -6.6 | 0 | 0 | 0 | 117.5 | | |
| 211 | I | 36.4 | Very low | 41.3 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | 88.1 | 100.1 | 162.3 | -50.5 | 168.6 | 0 | 0 | 0 | 114.8 | | |
| 212 | R | 38.5 | Very low | 41.2 | Very low | 234 Ų | 234 | 137.5 Ų | 137.5 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | | 72.1 | 145.7 | 67.1 | -77.7 | -173.3 | 171.7 | 166.5 | -1.8 | 116.2 | | |
| 213 | P | 48.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | cis | -138.3 | 166.6 | -43.5 | 39.4 | -22.6 | 0 | 0 | 0 | 113.9 | | |
| 214 | D | 40.8 | Very low | 41.9 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -77.4 | 147.8 | 171 | -58.8 | -69.1 | 0 | 0 | 0 | 113.8 | | |
| 215 | P | 51.9 | Low | 42.3 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -104.2 | 110.8 | 156.5 | 33.7 | -24.7 | 0 | 0 | 0 | 111.6 | | |
| 216 | N | 40.3 | Very low | 42.6 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -64.5 | 137.9 | 171.6 | 178.7 | 2.4 | 0 | 0 | 0 | 111.7 | D218 | N216-D218 PolarHBondContact OD1-N 3.36Å; N216-D218 VanDerWaalsContact OD1-N 3.16Å |
| 217 | V | 51.3 | Low | 43.1 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -124.6 | 99 | 159.2 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 218 | D | 42.5 | Very low | 43.7 | Very low | 119 Ų | 119 | 124 Ų | 124 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -67.3 | 133.3 | 168.4 | 166.2 | 29.8 | 0 | 0 | 0 | 110.6 | N216 G220 | N216-D218 PolarHBondContact OD1-N 3.36Å; N216-D218 VanDerWaalsContact OD1-N 3.16Å; D218-G220 PolarHBondContact OD1-N 3.08Å |
| 219 | M | 47 | Very low | 43.9 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -144.7 | 70.4 | 158.7 | -82.5 | -56.7 | -64.5 | 0 | 0 | 111 | | |
| 220 | G | 43.8 | Very low | 44.3 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | 90.8 | 110 | 146.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | D218 | D218-G220 PolarHBondContact OD1-N 3.08Š|
| 221 | G | 39.8 | Very low | 44.6 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -93 | 161.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 222 | N | 42.8 | Very low | 45.8 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | | -138.9 | 159.6 | 119.1 | 59.6 | 64.6 | 0 | 0 | 0 | 109.2 | | |
| 223 | E | 49.1 | Very low | 46 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -77 | 145.8 | 172.4 | 52.8 | -85.3 | 92.6 | 0 | 0 | 111.6 | | |
| 224 | G | 44.2 | Very low | 46.4 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | cis | 159.9 | -170.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 225 | G | 41.5 | Very low | 46.9 | Very low | 84 Ų | 84 | 123 Ų | 123 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | 89.3 | 93.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 226 | G | 42.9 | Very low | 47 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 84.6 | 135.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 227 | G | 40.9 | Very low | 47.3 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | cis | 119.5 | 125.6 | 19.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G229 | G227-G229 PolarHBondContact O-N 3.41Š|
| 228 | G | 42.2 | Very low | 47.1 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -53.8 | 133.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 229 | G | 50.8 | Low | 47.4 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -70.2 | 153.1 | -163 | 0 | 0 | 0 | 0 | 0 | 116.3 | G227 | G227-G229 PolarHBondContact O-N 3.41Š|
| 230 | L | 47.6 | Very low | 47.4 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -150.2 | 57.2 | 167.2 | -169.6 | 59.1 | 0 | 0 | 0 | 111.7 | K232 | L230-K232 HydrophobicContact CD1-CB 4.33Å; L230-K232 PolarHBondContact O-N 3.2Å |
| 231 | D | 54.4 | Low | 47.4 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -76.1 | 44.7 | 174.7 | -67.6 | -51.8 | 0 | 0 | 0 | 113.2 | | |
| 232 | K | 61.1 | Low | 47.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -120.9 | 110.2 | 178.1 | -163.6 | -175.1 | -179.3 | -177.8 | 0 | 108.8 | L230 | L230-K232 HydrophobicContact CD1-CB 4.33Å; L230-K232 PolarHBondContact O-N 3.2Å |
| 233 | W | 41.7 | Very low | 47.3 | Very low | 202 Ų | 202 | 134 Ų | 134 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | | | trans | 83.6 | 57.4 | 179.9 | -47.6 | 111.6 | 0 | 0 | 0 | 117.7 | F235 | W233-F235 PolarHBondContact O-N 2.94Š|
| 234 | N | 58 | Low | 47.1 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -76.3 | 99.8 | 152.6 | -81.5 | -59.2 | 0 | 0 | 0 | 109.7 | | |
| 235 | F | 52.1 | Low | 47.1 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | trans | -104.9 | 145.2 | 173.3 | -130.3 | -96 | 0 | 0 | 0 | 109.6 | W233 | W233-F235 PolarHBondContact O-N 2.94Š|
| 236 | F | 52.2 | Low | 47.2 | Very low | 188 Ų | 188 | 138 Ų | 138 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | 69.4 | 64.8 | -177.3 | -48.4 | -70.5 | 0 | 0 | 0 | 116.6 | | |
| 237 | G | 46.6 | Very low | 47.1 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 152.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 238 | T | 48.7 | Very low | 46.9 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 147.4 | -172.5 | 44.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 239 | R | 48.6 | Very low | 47.1 | Very low | 247 Ų | 247 | 144.3 Ų | 144.3 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130 | 176.2 | -64.7 | 177.9 | -178.8 | -105 | 2.2 | 110.3 | | |
| 240 | S | 46.8 | Very low | 46.8 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 161.3 | 167.3 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 241 | V | 43.4 | Very low | 46.4 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90 | 144.1 | -160.8 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 242 | V | 43.9 | Very low | 46.4 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127 | 174 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 243 | H | 37 | Very low | 45.8 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -130.4 | 159.7 | 161.1 | -110.8 | -103.9 | 0 | 0 | 0 | 111.4 | | |
| 244 | K | 45.1 | Very low | 46 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -114.4 | 151.7 | -159.8 | -55.7 | -176 | -177.3 | -178.1 | 0 | 112.9 | | |
| 245 | S | 42.7 | Very low | 45.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -69.1 | 143.3 | 175 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 246 | P | 45.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | | -142.6 | 148.1 | 123.1 | 36.2 | -22.2 | 0 | 0 | 0 | 115.6 | | |
| 247 | T | 39.1 | Very low | 45.1 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | 28.6 | 113 | 143 | -42.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 248 | D | 37.3 | Very low | 45.2 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | | 16.9 | 148.7 | 127.6 | -153.9 | 55.3 | 0 | 0 | 0 | 121.2 | | |
| 249 | P | 46.5 | Very low | 45.5 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -124.5 | 156.6 | -2.7 | 18.1 | 5.8 | 0 | 0 | 0 | 116.6 | | |
| 250 | G | 44 | Very low | 45.7 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | 68.5 | 94.7 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 251 | S | 40.3 | Very low | 46.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -157.2 | 100.9 | 142.9 | -155.1 | 0 | 0 | 0 | 0 | 113.6 | T253 | S251-T253 PolarHBondContact O-N 3.14Š|
| 252 | E | 54.2 | Low | 46 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | 17.8 | 71.7 | 147.4 | -57.6 | -53.7 | 136.8 | 0 | 0 | 119.7 | | |
| 253 | T | 48.6 | Very low | 46.5 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | | | trans | -129.3 | 78.1 | 149.4 | 36.8 | 0 | 0 | 0 | 0 | 109.8 | S251 | S251-T253 PolarHBondContact O-N 3.14Š|
| 254 | S | 44.9 | Very low | 47.4 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -71.9 | 158.5 | 178.1 | 66.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 255 | T | 46.9 | Very low | 47.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | cis | -134.2 | 124.5 | 11.9 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 256 | G | 46.3 | Very low | 48.1 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | | | trans | -78.7 | 179.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S258 | G256-S258 PolarHBondContact O-N 2.81Š|
| 257 | F | 51.6 | Low | 48.5 | Very low | 211 Ų | 211 | 136 Ų | 136 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -51.1 | 107.5 | -179 | -65.2 | -93.2 | 0 | 0 | 0 | 113.2 | L259 | F257-L259 PolarHBondContact O-N 3.08Å; F257-L259 VanDerWaalsContact O-N 3.13Å |
| 258 | S | 47.1 | Very low | 48.9 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -73.1 | 103.8 | 170.4 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | G256 Q260 | G256-S258 PolarHBondContact O-N 2.81Å; S258-Q260 PolarHBondContact O-N 3.13Å |
| 259 | L | 56.6 | Low | 49.4 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | -67.5 | 96.5 | 162.1 | -74 | 172.6 | 0 | 0 | 0 | 108.1 | F257 S261 | F257-L259 PolarHBondContact O-N 3.08Å; F257-L259 VanDerWaalsContact O-N 3.13Å; L259-S261 PolarHBondContact O-N 3.3Å |
| 260 | Q | 51.8 | Low | 49.8 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | | | trans | -61.5 | 113.9 | 172.1 | -82 | -158.2 | -20.6 | 0 | 0 | 110 | S258 Y262 | S258-Q260 PolarHBondContact O-N 3.13Å; Q260-Y262 HydrophobicContact CB-CD2 3.98Å; Q260-Y262 HydrophobicContact CB-CE2 3.89Å; Q260-Y262 PolarHBondContact O-N 2.89Å |
| 261 | S | 54.5 | Low | 50 | Low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -71.3 | 90.9 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | L259 F263 | L259-S261 PolarHBondContact O-N 3.3Å; S261-F263 PolarHBondContact O-N 3.18Å; S261-F263 WeakPolarHBondContact OG-CD2 3.48Å; S261-F263 WeakPolarHBondContact OG-CE2 3.47Å |
| 262 | Y | 41.3 | Very low | 50.2 | Low | 174 Ų | 174 | 139.8 Ų | 139.8 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | | | trans | -71.7 | 70.1 | 179.8 | -95.7 | -89.2 | 0 | 0 | 0 | 112.1 | Q260 G264 | Q260-Y262 HydrophobicContact CB-CD2 3.98Å; Q260-Y262 HydrophobicContact CB-CE2 3.89Å; Q260-Y262 PolarHBondContact O-N 2.89Å; Y262-G264 PolarHBondContact O-N 3.01Å |
| 263 | F | 54.6 | Low | 50.2 | Low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | | | trans | -68.6 | 105.9 | 161.6 | -85.6 | -83.8 | 0 | 0 | 0 | 109.6 | S261 | S261-F263 PolarHBondContact O-N 3.18Å; S261-F263 WeakPolarHBondContact OG-CD2 3.48Å; S261-F263 WeakPolarHBondContact OG-CE2 3.47Å |
| 264 | G | 57.2 | Low | 50.3 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 89.9 | 67.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117 | Y262 | Y262-G264 PolarHBondContact O-N 3.01Š|
| 265 | L | 47.3 | Very low | 50.1 | Low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -107.4 | 129.6 | 144 | -118.7 | 76 | 0 | 0 | 0 | 108.8 | K267 | L265-K267 PolarHBondContact O-N 2.97Š|
| 266 | Q | 54.3 | Low | 50 | Low | 198 Ų | 198 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -71.7 | 131.7 | -178.3 | -69.3 | -155.7 | -42.1 | 0 | 0 | 111.4 | S268 | Q266-S268 PolarHBondContact O-N 2.84Š|
| 267 | K | 53.3 | Low | 49.9 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | -73 | 123.1 | 170.3 | -64.4 | -179.3 | 179.8 | -180 | 0 | 108.8 | L265 S269 | L265-K267 PolarHBondContact O-N 2.97Å; K267-S269 VanDerWaalsContact C-N 3.3Å; K267-S269 PolarHBondContact O-N 3.05Å |
| 268 | S | 49 | Very low | 49.3 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 88.9 | 166.5 | 35.6 | 0 | 0 | 0 | 0 | 109.6 | Q266 T270 | Q266-S268 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-N 2.88Å |
| 269 | S | 46.5 | Very low | 48.8 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | -74.9 | 88.3 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | K267 M271 | K267-S269 VanDerWaalsContact C-N 3.3Å; K267-S269 PolarHBondContact O-N 3.05Å; S269-M271 PolarHBondContact O-N 3.01Å |
| 270 | T | 54.6 | Low | 48.2 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -73.9 | 72.7 | 173.3 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | S268 | S268-T270 PolarHBondContact O-N 2.88Š|
| 271 | M | 49 | Very low | 47.4 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -154.5 | 100.9 | 175.4 | -171.8 | 170.5 | 76.6 | 0 | 0 | 111.2 | S269 | S269-M271 PolarHBondContact O-N 3.01Š|
| 272 | D | 44.7 | Very low | 47.1 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | | 168.5 | 136.3 | 127.9 | -87.8 | -30.1 | 0 | 0 | 0 | 109.4 | | |
| 273 | G | 54.5 | Low | 46.8 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -173.3 | 2.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 274 | T | 50 | Low | 46 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -143.7 | 98.8 | 174 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 275 | N | 41.5 | Very low | 45.5 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -123.7 | 83 | 169.8 | -167.1 | -17.5 | 0 | 0 | 0 | 109.8 | | |
| 276 | T | 44.8 | Very low | 45.8 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -86.9 | 105.8 | 172.5 | 36.1 | 0 | 0 | 0 | 0 | 109.9 | I278 | T276-I278 PolarHBondContact O-N 3.26Š|
| 277 | Q | 43 | Very low | 45.6 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -72.2 | 87.8 | 176.4 | -173.3 | -178.6 | 73.1 | 0 | 0 | 110.6 | S279 | Q277-S279 PolarHBondContact O-N 2.91Š|
| 278 | I | 38.9 | Very low | 45.4 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -77.2 | 93.1 | 178 | -55.3 | 176.9 | 0 | 0 | 0 | 109.3 | T276 Q280 | T276-I278 PolarHBondContact O-N 3.26Å; I278-Q280 PolarHBondContact O-N 3.2Å |
| 279 | S | 37.2 | Very low | 46 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | -65.5 | 103 | 165.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | Q277 K281 | Q277-S279 PolarHBondContact O-N 2.91Å; S279-K281 PolarHBondContact O-N 2.91Å |
| 280 | Q | 43.3 | Very low | 45.9 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -70.6 | 97.8 | -173.8 | -167.7 | 177.2 | 14.4 | 0 | 0 | 110.8 | I278 | I278-Q280 PolarHBondContact O-N 3.2Š|
| 281 | K | 36 | Very low | 45.6 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -114.2 | 138.8 | 164.4 | -60.2 | -61 | 179.7 | -176.5 | 0 | 108.5 | S279 | S279-K281 PolarHBondContact O-N 2.91Š|
| 282 | V | 47.5 | Very low | 45.5 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -69.3 | 133.2 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 283 | E | 35.1 | Very low | 46.1 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | | -173.5 | 155.3 | 126.9 | -144.8 | 52.4 | -136.6 | 0 | 0 | 112.1 | | |
| 284 | E | 37.8 | Very low | 45.6 | Very low | 157 Ų | 157 | 150 Ų | 150 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | 36.4 | 121 | 159.4 | -148.3 | 174.7 | -154 | 0 | 0 | 123 | A286 | E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 PolarHBondContact O-N 3.11Å; E284-A286 VanDerWaalsContact O-N 3.16Å |
| 285 | P | 48.2 | Very low | 45.5 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -88.5 | 66.6 | 175.1 | 37.5 | -35.9 | 0 | 0 | 0 | 113.5 | | |
| 286 | A | 52 | Low | 45.4 | Very low | 61 Ų | 61 | 147.4 Ų | 147.4 | 50% | 0.504 | 77% | 0.768 | S | S | . | * | | | trans | -133.7 | 136.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E284 | E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 PolarHBondContact O-N 3.11Å; E284-A286 VanDerWaalsContact O-N 3.16Å |
| 287 | K | 50.4 | Low | 45.3 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | 67.1 | 59.8 | 172.3 | -51.5 | 167.9 | -172.4 | 161.4 | 0 | 116.4 | M289 | K287-M289 PolarHBondContact O-N 3.07Š|
| 288 | F | 50.5 | Low | 45.4 | Very low | 220 Ų | 220 | 146.1 Ų | 146.1 | 97% | 0.965 | 77% | 0.766 | S | S | * | * | | | trans | -64.2 | 102.6 | 153.3 | -107.5 | -88.7 | 0 | 0 | 0 | 109.7 | | |
| 289 | M | 59.8 | Low | 45.8 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 146 | 165.3 | -67.6 | -105.7 | 75.4 | 0 | 0 | 109.2 | K287 | K287-M289 PolarHBondContact O-N 3.07Š|
| 290 | P | 45.9 | Very low | 45.9 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145 | 173.9 | 29 | -33.7 | 0 | 0 | 0 | 110.3 | K292 | P290-K292 PolarHBondContact O-N 2.85Š|
| 291 | P | 47.9 | Very low | 46.2 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128 | 179.2 | 26.1 | -33.9 | 0 | 0 | 0 | 110.4 | I293 | P291-I293 PolarHBondContact O-N 3.02Š|
| 292 | K | 46.2 | Very low | 46.8 | Very low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -70.6 | 115.3 | 170.1 | -75.1 | -179.6 | 177.5 | 176.9 | 0 | 108.6 | P290 E294 | P290-K292 PolarHBondContact O-N 2.85Å; K292-E294 PolarHBondContact O-N 2.99Å |
| 293 | I | 57.6 | Low | 47 | Very low | 148 Ų | 148 | 151 Ų | 151 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -81.6 | 99.5 | 171.5 | -55 | 173.6 | 0 | 0 | 0 | 106.8 | P291 I295 | P291-I293 PolarHBondContact O-N 3.02Å; I293-I295 HydrophobicContact CG2-CG1 4.26Å; I293-I295 PolarHBondContact O-N 2.78Å |
| 294 | E | 44.7 | Very low | 47.9 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -75.7 | 110.5 | 171 | -67.3 | -173.3 | 166.6 | 0 | 0 | 108.7 | K292 | K292-E294 PolarHBondContact O-N 2.99Š|
| 295 | I | 46.5 | Very low | 48.8 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | -88.6 | 110.4 | 178.2 | -55.1 | 174 | 0 | 0 | 0 | 107 | I293 D297 | I293-I295 HydrophobicContact CG2-CG1 4.26Å; I293-I295 PolarHBondContact O-N 2.78Å; I295-D297 PolarHBondContact O-N 3.44Å; I295-D297 VanDerWaalsContact O-N 3.13Å |
| 296 | S | 39.2 | Very low | 49.7 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | -64.5 | 111.9 | 172.3 | -51.1 | 0 | 0 | 0 | 0 | 110 | T298 | S296-T298 PolarHBondContact O-N 3.46Š|
| 297 | D | 43.7 | Very low | 50.4 | Low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 84.3 | 170.6 | -95.6 | -31.9 | 0 | 0 | 0 | 109.8 | I295 E299 | I295-D297 PolarHBondContact O-N 3.44Å; I295-D297 VanDerWaalsContact O-N 3.13Å; D297-E299 PolarHBondContact O-N 2.89Å |
| 298 | T | 44.4 | Very low | 51.4 | Low | 104 Ų | 104 | 149 Ų | 149 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | | | trans | -78.3 | 97.4 | 172.4 | 36.3 | 0 | 0 | 0 | 0 | 108.4 | S296 S300 | S296-T298 PolarHBondContact O-N 3.46Å; T298-S300 VanDerWaalsContact C-N 3.35Å; T298-S300 PolarHBondContact O-N 3.5Å; T298-S300 PolarHBondContact O-OG 3.33Å |
| 299 | E | 46.8 | Very low | 52.6 | Low | 203 Ų | 203 | 147.2 Ų | 147.2 | 95% | 0.949 | 76% | 0.757 | S | S | * | * | | | trans | -51.6 | 100.3 | 171.5 | -171.7 | -169.8 | 165 | 0 | 0 | 109.3 | D297 | D297-E299 PolarHBondContact O-N 2.89Š|
| 300 | S | 39.9 | Very low | 53.6 | Low | 67 Ų | 67 | 143.9 Ų | 143.9 | 47% | 0.469 | 74% | 0.742 | S | S | . | * | | | trans | -145.3 | 110.7 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 107.2 | T298 R302 | T298-S300 VanDerWaalsContact C-N 3.35Å; T298-S300 PolarHBondContact O-N 3.5Å; T298-S300 PolarHBondContact O-OG 3.33Å; S300-R302 PolarHBondContact O-N 3.35Å |
| 301 | K | 50.6 | Low | 55.5 | Low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | | | trans | -59.4 | 86 | 175 | -179.3 | -178.7 | -179.1 | 176.6 | 0 | 108.9 | V303 | K301-V303 PolarHBondContact O-N 3.3Š|
| 302 | R | 48.4 | Very low | 57 | Low | 224 Ų | 224 | 145.5 Ų | 145.5 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | | | trans | -60.9 | 97.2 | -174.5 | -71 | -168.6 | -177.5 | -177.4 | 3.1 | 109.8 | S300 S304 | S300-R302 PolarHBondContact O-N 3.35Å; R302-S304 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact O-N 3.14Å |
| 303 | V | 50.8 | Low | 58.5 | Low | 131 Ų | 131 | 147 Ų | 147 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -55.7 | 118.1 | 161.2 | 177.3 | 0 | 0 | 0 | 0 | 105.9 | K301 | K301-V303 PolarHBondContact O-N 3.3Š|
| 304 | S | 53.9 | Low | 59.7 | Low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | | | trans | -56.7 | 131.4 | 176.6 | 44.8 | 0 | 0 | 0 | 0 | 108.7 | R302 R306 | R302-S304 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact O-N 3.14Å; S304-R306 PolarHBondContact O-N 2.83Å |
| 305 | P | 56.4 | Low | 61.4 | Low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -58.2 | 114.3 | -179.3 | 23 | -32.4 | 0 | 0 | 0 | 108.1 | | |
| 306 | R | 66.9 | Low | 62.8 | Low | 199 Ų | 199 | 138.5 Ų | 138.5 | 75% | 0.751 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.5 | -171.9 | -173 | 179.5 | -166.5 | 165.4 | 7.6 | 108.2 | S304 H308 | S304-R306 PolarHBondContact O-N 2.83Å; R306-H308 PolarHBondContact O-N 3.19Å; R306-H308 VanDerWaalsContact O-N 3.08Å |
| 307 | P | 67.5 | Low | 64.5 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 121.9 | -174.8 | 20 | -32.5 | 0 | 0 | 0 | 110 | K309 | P307-K309 PolarHBondContact O-N 2.96Š|
| 308 | H | 71.1 | Confident | 66.2 | Low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.3 | -174.9 | -61.7 | -82.3 | 0 | 0 | 0 | 109.2 | R306 L310 | R306-H308 PolarHBondContact O-N 3.19Å; R306-H308 VanDerWaalsContact O-N 3.08Å; H308-L310 HydrophobicContact CB-CG 4.32Å; H308-L310 PolarHBondContact O-N 2.81Å |
| 309 | K | 76.7 | Confident | 67.9 | Low | 182 Ų | 182 | 136.5 Ų | 136.5 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | | | trans | -77.2 | 48.8 | -177.4 | -68.3 | -172 | 174.8 | -175.2 | 0 | 112.7 | P307 K311 | P307-K309 PolarHBondContact O-N 2.96Å; K309-K311 PolarHBondContact O-N 3.03Å |
| 310 | L | 79.7 | Confident | 69.2 | Low | 83 Ų | 83 | 132.7 Ų | 132.7 | 44% | 0.435 | 68% | 0.678 | S | S | . | * | | | trans | -58.1 | 132.6 | 170 | -60.8 | 176.9 | 0 | 0 | 0 | 108.8 | H308 D314 M315 L318 | H308-L310 HydrophobicContact CB-CG 4.32Å; H308-L310 PolarHBondContact O-N 2.81Å; L310-D314 HydrophobicContact CB-CB 4.43Å; L310-D314 HydrophobicContact CD2-CB 4.39Å; L310-M315 HydrophobicContact CB-SD 4.46Å; L310-M315 HydrophobicContact CD1-SD 4.39Å; L310-L318 HydrophobicContact CD1-CD1 3.66Å; L310-L318 HydrophobicContact CD1-CG 4.35Å |
| 311 | K | 87.5 | Confident | 70.6 | Confident | 137 Ų | 137 | 134.4 Ų | 134.4 | 60% | 0.596 | 69% | 0.69 | S | S | * | * | | | trans | -77.5 | 158.5 | 171.1 | -57.4 | -61.8 | -173.6 | 168.6 | 0 | 109.3 | K309 R313 D314 | K309-K311 PolarHBondContact O-N 3.03Å; K311-R313 PolarHBondContact O-N 3.47Å; K311-D314 VanDerWaalsContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CG-OD2 3.47Å; K311-D314 PolarHBondContact N-OD2 3.27Å; K311-D314 WeakPolarHBondContact O-CB 3.36Å; K311-D314 PolarHBondContact O-N 3.43Å |
| 312 | P | 79.1 | Confident | 71.5 | Confident | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -23.7 | 174.3 | -28.3 | 36.4 | 0 | 0 | 0 | 114.7 | | |
| 313 | R | 77.7 | Confident | 71.5 | Confident | 224 Ų | 224 | 130.2 Ų | 130.2 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -24.6 | 174.2 | -65.4 | -178.3 | -179.8 | 143.3 | 1 | 113.6 | K311 M315 | K311-R313 PolarHBondContact O-N 3.47Å; R313-M315 VanDerWaalsContact C-N 3.35Å |
| 314 | D | 81.9 | Confident | 72.5 | Confident | 63 Ų | 63 | 130.2 Ų | 130.2 | 34% | 0.337 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -86.6 | -11.8 | -173.7 | -44.2 | -19.1 | 0 | 0 | 0 | 111.4 | L310 K311 N316 V317 | L310-D314 HydrophobicContact CB-CB 4.43Å; L310-D314 HydrophobicContact CD2-CB 4.39Å; K311-D314 VanDerWaalsContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CG-OD2 3.47Å; K311-D314 PolarHBondContact N-OD2 3.27Å; K311-D314 WeakPolarHBondContact O-CB 3.36Å; K311-D314 PolarHBondContact O-N 3.43Å; D314-N316 PolarHBondContact O-N 3.05Å; D314-V317 VanDerWaalsContact O-CB 3.28Å; D314-V317 WeakPolarHBondContact O-CB 3.48Å; D314-V317 WeakPolarHBondContact O-CG2 3.28Å; D314-V317 PolarHBondContact O-N 3.43Å |
| 315 | M | 81.2 | Confident | 73.5 | Confident | 96 Ų | 96 | 132.1 Ų | 132.1 | 47% | 0.473 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -58.6 | -29.2 | 177.7 | -67.7 | -57.1 | -56.5 | 0 | 0 | 112.9 | L310 R313 V317 L318 | L310-M315 HydrophobicContact CB-SD 4.46Å; L310-M315 HydrophobicContact CD1-SD 4.39Å; R313-M315 VanDerWaalsContact C-N 3.35Å; M315-V317 PolarHBondContact O-N 3.03Å; M315-L318 HydrophobicContact CE-CD1 4.17Å; M315-L318 WeakPolarHBondContact O-CB 3.41Å; M315-L318 PolarHBondContact O-N 3.13Å |
| 316 | N | 76.1 | Confident | 74.4 | Confident | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -68.8 | -8.9 | 176.7 | -62.9 | 5.9 | 0 | 0 | 0 | 113.2 | D314 L318 T319 | D314-N316 PolarHBondContact O-N 3.05Å; N316-L318 VanDerWaalsContact C-N 3.34Å; N316-T319 WeakPolarHBondContact CA-OG1 3.28Å; N316-T319 PolarHBondContact O-OG1 2.91Å |
| 317 | V | 74.8 | Confident | 74.9 | Confident | 123 Ų | 123 | 129.2 Ų | 129.2 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -80.7 | -18.3 | 170.6 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | D314 M315 | D314-V317 VanDerWaalsContact O-CB 3.28Å; D314-V317 WeakPolarHBondContact O-CB 3.48Å; D314-V317 WeakPolarHBondContact O-CG2 3.28Å; D314-V317 PolarHBondContact O-N 3.43Å; M315-V317 PolarHBondContact O-N 3.03Å |
| 318 | L | 78.3 | Confident | 75.3 | Confident | 115 Ų | 115 | 130.4 Ų | 130.4 | 60% | 0.602 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -17.3 | 178.1 | -58.8 | -175.1 | 0 | 0 | 0 | 113.7 | L310 M315 N316 P320 | L310-L318 HydrophobicContact CD1-CD1 3.66Å; L310-L318 HydrophobicContact CD1-CG 4.35Å; M315-L318 HydrophobicContact CE-CD1 4.17Å; M315-L318 WeakPolarHBondContact O-CB 3.41Å; M315-L318 PolarHBondContact O-N 3.13Å; N316-L318 VanDerWaalsContact C-N 3.34Å; L318-P320 WeakPolarHBondContact O-CD 3.38Å |
| 319 | T | 80.1 | Confident | 75.6 | Confident | 90 Ų | 90 | 128.3 Ų | 128.3 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -69.4 | 119.9 | 168.5 | 40.8 | 0 | 0 | 0 | 0 | 109.2 | N316 S321 | N316-T319 WeakPolarHBondContact CA-OG1 3.28Å; N316-T319 PolarHBondContact O-OG1 2.91Å; T319-S321 PolarHBondContact O-N 3.16Å; T319-S321 VanDerWaalsContact O-N 3.11Å |
| 320 | P | 75.3 | Confident | 75.5 | Confident | 124 Ų | 124 | 124.5 Ų | 124.5 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | | | trans | -63.7 | 117 | 177.3 | 25.9 | -32.7 | 0 | 0 | 0 | 109.4 | L318 G322 | L318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-G322 PolarHBondContact O-N 3.01Å |
| 321 | S | 69.5 | Low | 75.2 | Confident | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | | | trans | -65.3 | 102.1 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 109.1 | T319 F323 | T319-S321 PolarHBondContact O-N 3.16Å; T319-S321 VanDerWaalsContact O-N 3.11Å; S321-F323 PolarHBondContact O-N 3.07Å |
| 322 | G | 69.8 | Low | 74.2 | Confident | 79 Ų | 79 | 126.9 Ų | 126.9 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | | | trans | -66.7 | 103.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | P320 | P320-G322 PolarHBondContact O-N 3.01Š|
| 323 | F | 46.6 | Very low | 73.7 | Confident | 264 Ų | 264 | 127.7 Ų | 127.7 | 100% | 1.158 | 70% | 0.701 | S | S | * | * | | | trans | -145 | 0 | 172.2 | -108.3 | -71.5 | 0 | 0 | 0 | 108.7 | S321 | S321-F323 PolarHBondContact O-N 3.07Š|