| 1 | T | 49.6 | Very low | 52.5 | Low | 192 Ų | 192 | 147.1 Ų | 147.1 | 100% | 1.178 | 90% | 0.895 | S | S | * | * | | | | 0 | 103.9 | 0 | 36.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 2 | Q | 53.4 | Low | 52.7 | Low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 88% | 0.881 | S | S | * | * | | | trans | -78.1 | 126.4 | 178.9 | -68.5 | -176.6 | 48.2 | 0 | 0 | 108.7 | L4 | Q2-L4 PolarHBondContact O-N 3.47Š|
| 3 | L | 52.7 | Low | 52.6 | Low | 175 Ų | 175 | 144.3 Ų | 144.3 | 92% | 0.916 | 88% | 0.875 | S | S | * | * | | | trans | -77.1 | 113.1 | 172.4 | -85.4 | 154.3 | 0 | 0 | 0 | 108.4 | Q5 | L3-Q5 PolarHBondContact O-N 3.44Š|
| 4 | L | 57.2 | Low | 52.9 | Low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 86% | 0.861 | S | S | * | * | | | trans | -68.6 | 115.4 | 169.3 | -105 | 72.5 | 0 | 0 | 0 | 108.6 | Q2 A6 | Q2-L4 PolarHBondContact O-N 3.47Å; L4-A6 PolarHBondContact O-N 3.43Å |
| 5 | Q | 59.5 | Low | 52.8 | Low | 196 Ų | 196 | 146.3 Ų | 146.3 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | | | trans | -85.7 | 98.9 | 170.5 | -161.1 | 154.3 | 17.5 | 0 | 0 | 108.1 | L3 A7 | L3-Q5 PolarHBondContact O-N 3.44Å; Q5-A7 PolarHBondContact O-N 3Å |
| 6 | A | 53.4 | Low | 52.8 | Low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | | | trans | -76.3 | 112.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L4 A8 | L4-A6 PolarHBondContact O-N 3.43Å; A6-A8 PolarHBondContact O-N 3.41Å |
| 7 | A | 50.5 | Low | 52.8 | Low | 103 Ų | 103 | 147 Ų | 147 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | | | trans | -81.6 | 111.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | Q5 | Q5-A7 PolarHBondContact O-N 3Š|
| 8 | A | 49.5 | Very low | 52.6 | Low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 85% | 0.849 | S | S | * | * | | | trans | -82.6 | 118.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | A6 | A6-A8 PolarHBondContact O-N 3.41Š|
| 9 | A | 54.2 | Low | 52.4 | Low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | | | trans | -96.9 | 107.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A11 | A9-A11 PolarHBondContact O-N 3.32Š|
| 10 | E | 45.9 | Very low | 52 | Low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | | | trans | -73.5 | 115.2 | 170.6 | -64.4 | -173.7 | 117.1 | 0 | 0 | 109.1 | S12 | E10-S12 PolarHBondContact O-N 3.49Š|
| 11 | A | 51.7 | Low | 51.8 | Low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | | | trans | -80.4 | 116.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A9 L13 | A9-A11 PolarHBondContact O-N 3.32Å; A11-L13 PolarHBondContact O-N 3.08Å |
| 12 | S | 54.6 | Low | 51.9 | Low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -57.3 | 124 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | E10 N14 | E10-S12 PolarHBondContact O-N 3.49Å; S12-N14 PolarHBondContact O-N 3.2Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact O-OD1 3.32Å |
| 13 | L | 51.8 | Low | 51.5 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | -79.1 | 90.2 | 171.6 | -175.2 | 70.5 | 0 | 0 | 0 | 109 | A11 K15 | A11-L13 PolarHBondContact O-N 3.08Å; L13-K15 PolarHBondContact O-N 3.16Å |
| 14 | N | 56.4 | Low | 51.6 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | | | trans | -64.9 | 102.8 | 166.2 | 31.1 | -88.2 | 0 | 0 | 0 | 109.7 | S12 S16 | S12-N14 PolarHBondContact O-N 3.2Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact O-OD1 3.32Å; N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.49Å |
| 15 | K | 51.5 | Low | 50.8 | Low | 191 Ų | 191 | 125.2 Ų | 125.2 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -60.1 | 90 | 166 | -70.9 | 177.5 | 176 | 178.5 | 0 | 109.4 | L13 K17 | L13-K15 PolarHBondContact O-N 3.16Å; K15-K17 PolarHBondContact O-N 3.43Å |
| 16 | S | 52.3 | Low | 50.1 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -69.5 | 110.9 | 165.8 | -61.4 | 0 | 0 | 0 | 0 | 108.3 | N14 S18 | N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.49Å; S16-S18 PolarHBondContact O-N 3.48Å |
| 17 | K | 54.3 | Low | 49.7 | Very low | 202 Ų | 202 | 122.4 Ų | 122.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -59 | 113.2 | 168 | -69.8 | 174.8 | 175.9 | 178.6 | 0 | 108.3 | K15 A19 | K15-K17 PolarHBondContact O-N 3.43Å; K17-A19 PolarHBondContact O-N 3.45Å; K17-A19 VanDerWaalsContact O-N 3.14Å |
| 18 | S | 48.3 | Very low | 49.8 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -65.3 | 109 | 165.3 | -62.1 | 0 | 0 | 0 | 0 | 108.3 | S16 T20 | S16-S18 PolarHBondContact O-N 3.48Å; S18-T20 PolarHBondContact O-N 3.36Å |
| 19 | A | 48.1 | Very low | 49.7 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -75.8 | 98.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | K17 T21 | K17-A19 PolarHBondContact O-N 3.45Å; K17-A19 VanDerWaalsContact O-N 3.14Å; A19-T21 PolarHBondContact O-N 2.95Å; A19-T21 VanDerWaalsContact O-N 3.09Å |
| 20 | T | 45.4 | Very low | 49.3 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -63.3 | 101.6 | 162.3 | -64.4 | 0 | 0 | 0 | 0 | 107.8 | S18 T22 | S18-T20 PolarHBondContact O-N 3.36Å; T20-T22 HydrophobicContact CG2-CG2 4.32Å |
| 21 | T | 46.9 | Very low | 49.7 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | -104.7 | 87.7 | 167.9 | 134.3 | 0 | 0 | 0 | 0 | 106.6 | A19 | A19-T21 PolarHBondContact O-N 2.95Å; A19-T21 VanDerWaalsContact O-N 3.09Å |
| 22 | T | 51.4 | Low | 49.6 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | -77.1 | 121 | 157.2 | 37 | 0 | 0 | 0 | 0 | 107.1 | T20 S24 | T20-T22 HydrophobicContact CG2-CG2 4.32Å; T22-S24 PolarHBondContact O-N 3.5Å |
| 23 | P | 46.2 | Very low | 49.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -77.4 | 72.5 | 163.8 | 32.7 | -29.7 | 0 | 0 | 0 | 107.3 | G25 | P23-G25 PolarHBondContact O-N 3.25Š|
| 24 | S | 54.3 | Low | 49.3 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -79.7 | 96.2 | 164.4 | -175.6 | 0 | 0 | 0 | 0 | 107 | T22 | T22-S24 PolarHBondContact O-N 3.5Š|
| 25 | G | 40.6 | Very low | 48.6 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | trans | -161.6 | 58.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P23 P27 | P23-G25 PolarHBondContact O-N 3.25Å; G25-P27 WeakPolarHBondContact O-CD 2.83Å |
| 26 | S | 44.8 | Very low | 48.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -59.1 | 121.9 | 160.2 | -67.4 | 0 | 0 | 0 | 0 | 107.5 | R28 | S26-R28 PolarHBondContact O-N 2.77Š|
| 27 | P | 46.1 | Very low | 47.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -64.6 | 110.3 | 175.7 | 24.5 | -29.7 | 0 | 0 | 0 | 107.9 | G25 T29 | G25-P27 WeakPolarHBondContact O-CD 2.83Å; P27-T29 PolarHBondContact O-N 2.87Å |
| 28 | R | 52 | Low | 48.1 | Very low | 236 Ų | 236 | 127.5 Ų | 127.5 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | trans | -54.4 | 107.8 | 167.2 | -170.9 | -178.9 | -175.4 | 108.2 | -2.6 | 106.7 | S26 S30 | S26-R28 PolarHBondContact O-N 2.77Å; R28-S30 PolarHBondContact O-N 3.38Å |
| 29 | T | 47.6 | Very low | 48.2 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -59.3 | 129.5 | 176 | 101.8 | 0 | 0 | 0 | 0 | 107.3 | P27 Q31 | P27-T29 PolarHBondContact O-N 2.87Å; T29-Q31 PolarHBondContact O-N 3.33Å |
| 30 | S | 45.3 | Very low | 48.4 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -63.3 | 115 | -178.5 | 179 | 0 | 0 | 0 | 0 | 108.7 | R28 Q32 | R28-S30 PolarHBondContact O-N 3.38Å; S30-Q32 VanDerWaalsContact C-N 3.34Å; S30-Q32 PolarHBondContact O-N 3.17Å |
| 31 | Q | 53.9 | Low | 49.1 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | -62.6 | 96.4 | 165.5 | -69.2 | -143.2 | 55.1 | 0 | 0 | 109.3 | T29 | T29-Q31 PolarHBondContact O-N 3.33Š|
| 32 | Q | 49.8 | Very low | 49.8 | Very low | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | | | trans | -108.4 | 91.2 | 158.4 | 25.7 | -164.2 | -34.1 | 0 | 0 | 106.2 | S30 V34 | S30-Q32 VanDerWaalsContact C-N 3.34Å; S30-Q32 PolarHBondContact O-N 3.17Å; Q32-V34 VanDerWaalsContact C-N 3.25Å; Q32-V34 PolarHBondContact O-N 2.68Å |
| 33 | N | 51.6 | Low | 50.4 | Low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | trans | -64.7 | 89.1 | 165.2 | -99.8 | -66.6 | 0 | 0 | 0 | 107.6 | | |
| 34 | V | 47.7 | Very low | 51.2 | Low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | | | trans | -88.4 | 108.8 | 157.8 | -177.5 | 0 | 0 | 0 | 0 | 105.5 | Q32 N36 | Q32-V34 VanDerWaalsContact C-N 3.25Å; Q32-V34 PolarHBondContact O-N 2.68Å; V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.14Å |
| 35 | Y | 42.7 | Very low | 51.7 | Low | 218 Ų | 218 | 125.8 Ų | 125.8 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | | | trans | -50.8 | 115.8 | 172.4 | -172.9 | -96.3 | 0 | 0 | 0 | 109.5 | | |
| 36 | N | 47.2 | Very low | 52.5 | Low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | | | trans | -118 | 142.2 | 171.6 | -148.9 | 31.8 | 0 | 0 | 0 | 107.7 | V34 | V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.14Å |
| 37 | P | 42.5 | Very low | 53 | Low | 93 Ų | 93 | 129.4 Ų | 129.4 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | | | trans | -68.3 | 155.7 | -170.9 | 31.8 | -31.3 | 0 | 0 | 0 | 110.3 | E39 | P37-E39 VanDerWaalsContact C-N 3.32Å; P37-E39 PolarHBondContact O-N 3.02Å |
| 38 | S | 58 | Low | 53.6 | Low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -42.5 | 64.6 | -170.2 | -51 | 0 | 0 | 0 | 0 | 118.6 | | |
| 39 | E | 50.7 | Low | 54.5 | Low | 174 Ų | 174 | 120.6 Ų | 120.6 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | | | trans | -153.9 | 69.4 | 168.7 | -32.4 | -82.2 | 165 | 0 | 0 | 108.2 | P37 S41 | P37-E39 VanDerWaalsContact C-N 3.32Å; P37-E39 PolarHBondContact O-N 3.02Å; E39-S41 PolarHBondContact O-N 3.15Å |
| 40 | G | 51 | Low | 55.9 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 65% | 0.646 | S | S | * | * | | | trans | -64.6 | 86.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | T42 | G40-T42 PolarHBondContact O-N 2.94Å; G40-T42 PolarHBondContact O-OG1 3.05Å |
| 41 | S | 60.1 | Low | 57.1 | Low | 80 Ų | 80 | 121.9 Ų | 121.9 | 56% | 0.559 | 64% | 0.642 | S | S | * | * | | | trans | -61.6 | 82.4 | 156.8 | -178.5 | 0 | 0 | 0 | 0 | 105.5 | E39 W43 | E39-S41 PolarHBondContact O-N 3.15Å; S41-W43 PolarHBondContact O-N 2.9Å |
| 42 | T | 63.3 | Low | 58 | Low | 86 Ų | 86 | 119 Ų | 119 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | | | trans | -65.4 | 84.9 | 169.2 | -60.9 | 0 | 0 | 0 | 0 | 103.3 | G40 N44 | G40-T42 PolarHBondContact O-N 2.94Å; G40-T42 PolarHBondContact O-OG1 3.05Å; T42-N44 PolarHBondContact O-N 2.86Å |
| 43 | W | 62.2 | Low | 59.1 | Low | 209 Ų | 209 | 119.9 Ų | 119.9 | 79% | 0.792 | 64% | 0.642 | S | S | * | * | | | trans | -65.6 | 73.6 | 169.9 | -104.5 | 93.8 | 0 | 0 | 0 | 107.9 | S41 | S41-W43 PolarHBondContact O-N 2.9Š|
| 44 | N | 64.4 | Low | 60.3 | Low | 45 Ų | 45 | 115.3 Ų | 115.3 | 24% | 0.241 | 62% | 0.617 | C | S | . | * | | | trans | -93.8 | 113.8 | 148.8 | -175.3 | -17.8 | 0 | 0 | 0 | 105.4 | T42 F46 D47 D48 | T42-N44 PolarHBondContact O-N 2.86Å; N44-F46 PolarHBondContact O-N 3.17Å; N44-F46 WeakPolarHBondContact OD1-CA 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.09Å; N44-F46 PolarHBondContact OD1-N 3.23Å; N44-D47 HydrophobicContact CB-CB 3.47Å; N44-D47 VanDerWaalsContact CB-CB 3.47Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD1 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.4Å; N44-D47 PolarHBondContact O-N 3.17Å; N44-D47 PolarHBondContact OD1-N 3.19Å; N44-D48 PolarHBondContact O-N 3.09Å |
| 45 | P | 64.6 | Low | 62 | Low | 91 Ų | 91 | 112.6 Ų | 112.6 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -6.1 | 175.7 | 25.4 | -33.5 | 0 | 0 | 0 | 113.5 | | |
| 46 | F | 56.2 | Low | 63.8 | Low | 153 Ų | 153 | 105.1 Ų | 105.1 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -14.9 | 173.5 | -52.4 | -77.3 | 0 | 0 | 0 | 115 | N44 D49 | N44-F46 PolarHBondContact O-N 3.17Å; N44-F46 WeakPolarHBondContact OD1-CA 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.09Å; N44-F46 PolarHBondContact OD1-N 3.23Å; F46-D49 WeakPolarHBondContact O-CB 3.07Å |
| 47 | D | 55 | Low | 65.4 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -25 | 177.2 | -60.5 | -32.1 | 0 | 0 | 0 | 112.4 | N44 D49 | N44-D47 HydrophobicContact CB-CB 3.47Å; N44-D47 VanDerWaalsContact CB-CB 3.47Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD1 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.4Å; N44-D47 PolarHBondContact O-N 3.17Å; N44-D47 PolarHBondContact OD1-N 3.19Å; D47-D49 PolarHBondContact O-N 3.14Å |
| 48 | D | 58.8 | Low | 67.3 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -77.8 | 5.1 | 170.3 | -83.8 | -16.7 | 0 | 0 | 0 | 112 | N44 N50 | N44-D48 PolarHBondContact O-N 3.09Å; D48-N50 PolarHBondContact O-N 3.2Å; D48-N50 VanDerWaalsContact O-N 3.09Å |
| 49 | D | 72.7 | Confident | 68.6 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 39% | 0.39 | 55% | 0.549 | S | S | . | . | | | trans | -73.2 | 106.1 | 178.3 | -146.2 | 16 | 0 | 0 | 0 | 109 | F46 D47 F51 S52 | F46-D49 WeakPolarHBondContact O-CB 3.07Å; D47-D49 PolarHBondContact O-N 3.14Å; D49-F51 HydrophobicContact CB-CD2 4.28Å; D49-F51 PolarHBondContact O-N 3.2Å; D49-F51 WeakPolarHBondContact OD1-CD2 3.2Å; D49-F51 VanDerWaalsContact OD1-CE2 3.22Å; D49-F51 WeakPolarHBondContact OD1-CE2 3Å; D49-F51 WeakPolarHBondContact OD2-CD2 3.39Å; D49-S52 PolarHBondContact O-N 3.2Å |
| 50 | N | 75.6 | Confident | 70.3 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -57.4 | -9.5 | -177.4 | -70.3 | -64.4 | 0 | 0 | 0 | 113.6 | D48 S52 K53 | D48-N50 PolarHBondContact O-N 3.2Å; D48-N50 VanDerWaalsContact O-N 3.09Å; N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.91Å; N50-K53 PolarHBondContact O-N 3.01Å |
| 51 | F | 70.4 | Confident | 71.9 | Confident | 121 Ų | 121 | 101.7 Ų | 101.7 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -62.9 | -32.8 | 171.5 | -62.2 | -96 | 0 | 0 | 0 | 112.7 | D49 K53 L54 L59 | D49-F51 HydrophobicContact CB-CD2 4.28Å; D49-F51 PolarHBondContact O-N 3.2Å; D49-F51 WeakPolarHBondContact OD1-CD2 3.2Å; D49-F51 VanDerWaalsContact OD1-CE2 3.22Å; D49-F51 WeakPolarHBondContact OD1-CE2 3Å; D49-F51 WeakPolarHBondContact OD2-CD2 3.39Å; F51-K53 PolarHBondContact O-N 2.77Å; F51-L54 PolarHBondContact O-N 3.42Å; F51-L54 VanDerWaalsContact O-N 3.12Å; F51-L59 HydrophobicContact CD1-CD2 4.15Å |
| 52 | S | 73.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 107 Ų | 107 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -68.6 | -16.7 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | D49 N50 | D49-S52 PolarHBondContact O-N 3.2Å; N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.91Å |
| 53 | K | 72.4 | Confident | 73.7 | Confident | 172 Ų | 172 | 106.9 Ų | 106.9 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -91.1 | -12 | 174.8 | -72.2 | -179.8 | 170.2 | 171.2 | 0 | 113.3 | N50 F51 | N50-K53 PolarHBondContact O-N 3.01Å; F51-K53 PolarHBondContact O-N 2.77Å |
| 54 | L | 78.3 | Confident | 74.2 | Confident | 46 Ų | 46 | 101.3 Ų | 101.3 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -81.3 | 132.3 | 176.9 | -62.1 | 174.1 | 0 | 0 | 0 | 108.8 | F51 E58 L59 F64 | F51-L54 PolarHBondContact O-N 3.42Å; F51-L54 VanDerWaalsContact O-N 3.12Å; L54-E58 WeakPolarHBondContact CA-OE2 3.19Å; L54-E58 HydrophobicContact CB-CB 4.22Å; L54-E58 HydrophobicContact CD2-CB 4.27Å; L54-L59 HydrophobicContact CB-CD1 4.43Å; L54-L59 HydrophobicContact CB-CD2 3.97Å; L54-L59 HydrophobicContact CB-CG 3.79Å; L54-L59 HydrophobicContact CD1-CD2 3.53Å; L54-L59 HydrophobicContact CD1-CG 4.25Å; L54-L59 HydrophobicContact CG-CD2 4.4Å; L54-F64 HydrophobicContact CD1-CE1 4.12Å; L54-F64 HydrophobicContact CD1-CE2 4.09Å; L54-F64 HydrophobicContact CD1-CZ 3.4Å; L54-F64 HydrophobicContact CD2-CE2 4.38Å; L54-F64 HydrophobicContact CD2-CZ 3.92Å; L54-F64 HydrophobicContact CG-CZ 4.32Å |
| 55 | T | 82.2 | Confident | 74.5 | Confident | 65 Ų | 65 | 103.8 Ų | 103.8 | 40% | 0.399 | 55% | 0.55 | S | S | . | * | | | trans | -68.2 | 157.6 | 169.6 | 78.8 | 0 | 0 | 0 | 0 | 109.7 | E57 E58 L59 | T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.24Å; T55-E57 VanDerWaalsContact O-N 3.15Å; T55-E57 PolarHBondContact OG1-OE2 2.98Å; T55-E58 PolarHBondContact N-OE2 3.24Å; T55-E58 WeakPolarHBondContact O-CA 3.37Å; T55-E58 WeakPolarHBondContact O-CB 3.04Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 WeakPolarHBondContact OG1-CG 3.44Å; T55-E58 PolarHBondContact OG1-N 2.87Å; T55-L59 PolarHBondContact O-N 3.13Å |
| 56 | A | 80.8 | Confident | 74.4 | Confident | 61 Ų | 61 | 105.6 Ų | 105.6 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.8 | -30.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L60 | A56-L60 WeakPolarHBondContact O-CB 3.31Å; A56-L60 WeakPolarHBondContact O-CD1 3.19Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.14Å; A56-L60 VanDerWaalsContact O-N 3.14Å |
| 57 | E | 80.3 | Confident | 74.7 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.9 | -42.2 | 174.3 | -52.5 | 75.1 | -159.1 | 0 | 0 | 111.2 | T55 L60 N61 | T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.24Å; T55-E57 VanDerWaalsContact O-N 3.15Å; T55-E57 PolarHBondContact OG1-OE2 2.98Å; E57-L60 PolarHBondContact O-N 2.83Å; E57-N61 PolarHBondContact O-N 3.17Å; E57-N61 PolarHBondContact O-ND2 2.98Å; E57-N61 PolarHBondContact O-OD1 3.49Å |
| 58 | E | 83.6 | Confident | 74.9 | Confident | 78 Ų | 78 | 102.8 Ų | 102.8 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -40.5 | 176.3 | -68.8 | 174.8 | 135.4 | 0 | 0 | 111.8 | L54 T55 L60 N61 F64 | L54-E58 WeakPolarHBondContact CA-OE2 3.19Å; L54-E58 HydrophobicContact CB-CB 4.22Å; L54-E58 HydrophobicContact CD2-CB 4.27Å; T55-E58 PolarHBondContact N-OE2 3.24Å; T55-E58 WeakPolarHBondContact O-CA 3.37Å; T55-E58 WeakPolarHBondContact O-CB 3.04Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 WeakPolarHBondContact OG1-CG 3.44Å; T55-E58 PolarHBondContact OG1-N 2.87Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.96Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.18Å; E58-F64 WeakPolarHBondContact O-CD2 3.44Å; E58-F64 WeakPolarHBondContact O-CE2 3.33Å |
| 59 | L | 83.6 | Confident | 74.7 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -30.5 | 174.8 | -72.2 | 170.1 | 0 | 0 | 0 | 113.2 | F51 L54 T55 | F51-L59 HydrophobicContact CD1-CD2 4.15Å; L54-L59 HydrophobicContact CB-CD1 4.43Å; L54-L59 HydrophobicContact CB-CD2 3.97Å; L54-L59 HydrophobicContact CB-CG 3.79Å; L54-L59 HydrophobicContact CD1-CD2 3.53Å; L54-L59 HydrophobicContact CD1-CG 4.25Å; L54-L59 HydrophobicContact CG-CD2 4.4Å; T55-L59 PolarHBondContact O-N 3.13Å |
| 60 | L | 87 | Confident | 73.5 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -89.3 | -6.5 | 179.7 | -67.8 | 172.9 | 0 | 0 | 0 | 113.3 | A56 E57 E58 K62 | A56-L60 WeakPolarHBondContact O-CB 3.31Å; A56-L60 WeakPolarHBondContact O-CD1 3.19Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.14Å; A56-L60 VanDerWaalsContact O-N 3.14Å; E57-L60 PolarHBondContact O-N 2.83Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.96Å; L60-K62 PolarHBondContact O-N 2.92Å; L60-K62 VanDerWaalsContact O-N 3.13Å |
| 61 | N | 84.3 | Confident | 72 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 47% | 0.465 | 59% | 0.594 | S | S | . | * | | | trans | -65.1 | 115.7 | 177.6 | -76.1 | -26.1 | 0 | 0 | 0 | 110.1 | E57 E58 D63 F64 | E57-N61 PolarHBondContact O-N 3.17Å; E57-N61 PolarHBondContact O-ND2 2.98Å; E57-N61 PolarHBondContact O-OD1 3.49Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.18Å; N61-D63 PolarHBondContact O-N 3.26Å; N61-F64 PolarHBondContact O-N 3.01Å |
| 62 | K | 82.1 | Confident | 70.5 | Confident | 192 Ų | 192 | 110.2 Ų | 110.2 | 84% | 0.835 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -10.2 | 178.4 | -55.8 | -172.3 | 78.1 | 173.5 | 0 | 113.4 | L60 | L60-K62 PolarHBondContact O-N 2.92Å; L60-K62 VanDerWaalsContact O-N 3.13Å |
| 63 | D | 79.2 | Confident | 69 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -5.6 | 177 | -64.4 | -45.8 | 0 | 0 | 0 | 113.4 | N61 A65 K66 L67 | N61-D63 PolarHBondContact O-N 3.26Å; D63-A65 PolarHBondContact O-N 2.96Å; D63-K66 WeakPolarHBondContact O-CA 3.44Å; D63-K66 WeakPolarHBondContact O-CB 3.04Å; D63-K66 PolarHBondContact O-N 3.23Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.09Å; D63-L67 PolarHBondContact O-N 2.9Å |
| 64 | F | 74.2 | Confident | 67.9 | Low | 92 Ų | 92 | 111.1 Ų | 111.1 | 40% | 0.404 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -55.3 | -39 | 174.1 | -118.4 | -90.3 | 0 | 0 | 0 | 112.7 | L54 E58 N61 K66 L67 | L54-F64 HydrophobicContact CD1-CE1 4.12Å; L54-F64 HydrophobicContact CD1-CE2 4.09Å; L54-F64 HydrophobicContact CD1-CZ 3.4Å; L54-F64 HydrophobicContact CD2-CE2 4.38Å; L54-F64 HydrophobicContact CD2-CZ 3.92Å; L54-F64 HydrophobicContact CG-CZ 4.32Å; E58-F64 WeakPolarHBondContact O-CD2 3.44Å; E58-F64 WeakPolarHBondContact O-CE2 3.33Å; N61-F64 PolarHBondContact O-N 3.01Å; F64-K66 PolarHBondContact O-N 3.47Å; F64-K66 VanDerWaalsContact O-N 3.17Å; F64-L67 HydrophobicContact CD2-CD1 4.4Å; F64-L67 HydrophobicContact CE2-CD1 4.5Å; F64-L67 HydrophobicContact CG-CD1 4.47Å; F64-L67 PolarHBondContact O-N 3.01Å; F64-L67 VanDerWaalsContact O-N 3.17Å |
| 65 | A | 69.3 | Low | 66.6 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 80% | 0.802 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -18.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D63 | D63-A65 PolarHBondContact O-N 2.96Å |
| 66 | K | 63.9 | Low | 64.9 | Low | 129 Ų | 129 | 122 Ų | 122 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -97.2 | -15.1 | 178.3 | -57.8 | 177.4 | -172 | 159.7 | 0 | 112.9 | D63 F64 G68 E69 | D63-K66 WeakPolarHBondContact O-CA 3.44Å; D63-K66 WeakPolarHBondContact O-CB 3.04Å; D63-K66 PolarHBondContact O-N 3.23Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.09Å; F64-K66 PolarHBondContact O-N 3.47Å; F64-K66 VanDerWaalsContact O-N 3.17Å; K66-G68 PolarHBondContact O-N 3.09Å; K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 PolarHBondContact O-N 3.46Å |
| 67 | L | 60.8 | Low | 63.2 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.6 | -18 | 178.7 | -64 | -179.3 | 0 | 0 | 0 | 112.9 | D63 F64 E69 | D63-L67 PolarHBondContact O-N 2.9Å; F64-L67 HydrophobicContact CD2-CD1 4.4Å; F64-L67 HydrophobicContact CE2-CD1 4.5Å; F64-L67 HydrophobicContact CG-CD1 4.47Å; F64-L67 PolarHBondContact O-N 3.01Å; F64-L67 VanDerWaalsContact O-N 3.17Å; L67-E69 PolarHBondContact O-N 3.33Å |
| 68 | G | 59.6 | Low | 61.7 | Low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -12 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K66 | K66-G68 PolarHBondContact O-N 3.09Š|
| 69 | E | 54.5 | Low | 60.2 | Low | 177 Ų | 177 | 118.7 Ų | 118.7 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 0.5 | -178.8 | -124.1 | -172.5 | -179.5 | 0 | 0 | 113.4 | K66 L67 K71 | K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 PolarHBondContact O-N 3.46Å; L67-E69 PolarHBondContact O-N 3.33Å; E69-K71 PolarHBondContact O-N 3.28Å |
| 70 | G | 49.1 | Very low | 58.7 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.2 | 92.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 71 | K | 43.9 | Very low | 57.3 | Low | 197 Ų | 197 | 118.8 Ų | 118.8 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | | | trans | 52.6 | 77.9 | 160.3 | -60.3 | -72.6 | -178.1 | 170.5 | 0 | 115.6 | E69 P73 | E69-K71 PolarHBondContact O-N 3.28Å; K71-P73 WeakPolarHBondContact O-CD 3.47Å |
| 72 | H | 38.6 | Very low | 56.1 | Low | 133 Ų | 133 | 118.6 Ų | 118.6 | 62% | 0.616 | 68% | 0.682 | S | S | * | * | | | trans | -45.5 | 112.8 | 149.8 | 178.9 | -120.5 | 0 | 0 | 0 | 110.5 | E74 K75 | H72-E74 VanDerWaalsContact CE1-CA 3.42Å; H72-E74 WeakPolarHBondContact CE1-CA 3.33Å; H72-E74 WeakPolarHBondContact ND1-CA 3.14Å; H72-E74 PolarHBondContact O-N 3.15Å; H72-K75 PolarHBondContact CE1-N 3.38Å; H72-K75 VanDerWaalsContact CE1-N 3.28Å; H72-K75 PolarHBondContact NE2-N 2.73Å |
| 73 | P | 41.2 | Very low | 55.1 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | | | trans | -64.1 | 125.8 | 145.6 | 29 | -29.2 | 0 | 0 | 0 | 106.1 | K71 K75 | K71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-K75 PolarHBondContact O-N 2.96Å |
| 74 | E | 48.7 | Very low | 54.4 | Low | 176 Ų | 176 | 117 Ų | 117 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -51.9 | 128.5 | -173.3 | -70.4 | 174.3 | 130.2 | 0 | 0 | 113 | H72 | H72-E74 VanDerWaalsContact CE1-CA 3.42Å; H72-E74 WeakPolarHBondContact CE1-CA 3.33Å; H72-E74 WeakPolarHBondContact ND1-CA 3.14Å; H72-E74 PolarHBondContact O-N 3.15Å |
| 75 | K | 51.9 | Low | 53.1 | Low | 184 Ų | 184 | 118.9 Ų | 118.9 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | | | trans | 86.8 | 89 | 170.6 | -62.1 | -178.9 | 168.1 | -169.8 | 0 | 115.7 | H72 P73 | H72-K75 PolarHBondContact CE1-N 3.38Å; H72-K75 VanDerWaalsContact CE1-N 3.28Å; H72-K75 PolarHBondContact NE2-N 2.73Å; P73-K75 PolarHBondContact O-N 2.96Å |
| 76 | L | 46.6 | Very low | 52.6 | Low | 155 Ų | 155 | 117.7 Ų | 117.7 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | | | trans | -155.3 | 79 | 135.2 | -103.6 | 143 | 0 | 0 | 0 | 107.8 | G78 | L76-G78 PolarHBondContact O-N 3.23Š|
| 77 | G | 44.7 | Very low | 52.1 | Low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | | | trans | -65.1 | 89.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | S79 | G77-S79 PolarHBondContact O-N 3.24Š|
| 78 | G | 49.3 | Very low | 51.6 | Low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -71.3 | 69.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L76 | L76-G78 PolarHBondContact O-N 3.23Š|
| 79 | S | 52.4 | Low | 50.9 | Low | 48 Ų | 48 | 124.2 Ų | 124.2 | 34% | 0.336 | 72% | 0.718 | S | S | . | * | | | trans | -78.9 | 134 | 157 | -169.7 | 0 | 0 | 0 | 0 | 108 | G77 E81 S82 | G77-S79 PolarHBondContact O-N 3.24Å; S79-E81 WeakPolarHBondContact CB-OE1 3.22Å; S79-E81 VanDerWaalsContact CB-OE2 3.31Å; S79-E81 WeakPolarHBondContact CB-OE2 3.03Å; S79-E81 PolarHBondContact O-N 3.3Å; S79-E81 PolarHBondContact OG-OE1 3.45Å; S79-E81 PolarHBondContact OG-OE2 3.13Å; S79-S82 PolarHBondContact O-N 2.73Å; S79-S82 PolarHBondContact O-OG 2.72Å |
| 80 | A | 52.5 | Low | 50.2 | Low | 82 Ų | 82 | 122 Ų | 122 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -59.7 | -8.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S82 | A80-S82 PolarHBondContact O-N 2.74Š|
| 81 | E | 57.2 | Low | 49.9 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -67.9 | -13 | 175.1 | 69.8 | -139.7 | -171.1 | 0 | 0 | 114.6 | S79 | S79-E81 WeakPolarHBondContact CB-OE1 3.22Å; S79-E81 VanDerWaalsContact CB-OE2 3.31Å; S79-E81 WeakPolarHBondContact CB-OE2 3.03Å; S79-E81 PolarHBondContact O-N 3.3Å; S79-E81 PolarHBondContact OG-OE1 3.45Å; S79-E81 PolarHBondContact OG-OE2 3.13Å |
| 82 | S | 57.8 | Low | 49.6 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 57% | 0.573 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -90.7 | -3.8 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | S79 A80 I84 | S79-S82 PolarHBondContact O-N 2.73Å; S79-S82 PolarHBondContact O-OG 2.72Å; A80-S82 PolarHBondContact O-N 2.74Å; S82-I84 PolarHBondContact O-N 2.79Å |
| 83 | L | 62.4 | Low | 49.7 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -73.3 | -7.3 | -177.9 | -65.2 | 179.2 | 0 | 0 | 0 | 114 | | |
| 84 | I | 63.2 | Low | 49.7 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 53% | 0.528 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -125.6 | 101.5 | 178.2 | -41.1 | -172.8 | 0 | 0 | 0 | 110.3 | S82 G86 F87 | S82-I84 PolarHBondContact O-N 2.79Å; I84-G86 PolarHBondContact O-N 3.27Å; I84-F87 HydrophobicContact CB-CD2 3.89Å; I84-F87 HydrophobicContact CB-CE2 4.48Å; I84-F87 HydrophobicContact CD1-CD2 4.4Å; I84-F87 HydrophobicContact CG2-CD2 3.42Å; I84-F87 VanDerWaalsContact CG2-CD2 3.42Å; I84-F87 HydrophobicContact CG2-CE2 3.61Å |
| 85 | P | 47 | Very low | 49.7 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 109.2 | 166.7 | -21.1 | 32.7 | 0 | 0 | 0 | 109.6 | | |
| 86 | G | 58.7 | Low | 49 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132 | -10.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | I84 | I84-G86 PolarHBondContact O-N 3.27Š|
| 87 | F | 54.1 | Low | 49.1 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | trans | -100.9 | 95.5 | 176.3 | -71 | -89.6 | 0 | 0 | 0 | 110.4 | I84 S89 | I84-F87 HydrophobicContact CB-CD2 3.89Å; I84-F87 HydrophobicContact CB-CE2 4.48Å; I84-F87 HydrophobicContact CD1-CD2 4.4Å; I84-F87 HydrophobicContact CG2-CD2 3.42Å; I84-F87 VanDerWaalsContact CG2-CD2 3.42Å; I84-F87 HydrophobicContact CG2-CE2 3.61Å; F87-S89 PolarHBondContact O-N 2.86Å |
| 88 | Q | 51.2 | Low | 49.1 | Very low | 183 Ų | 183 | 120.5 Ų | 120.5 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | | | trans | -74.1 | 122.2 | 164.6 | -64.3 | -158.6 | -7.1 | 0 | 0 | 108.6 | T90 | Q88-T90 PolarHBondContact O-N 2.71Å; Q88-T90 VanDerWaalsContact O-N 3.09Å |
| 89 | S | 43.9 | Very low | 48.9 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | trans | -70.2 | 99.6 | 168.3 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | F87 Q91 | F87-S89 PolarHBondContact O-N 2.86Å; S89-Q91 PolarHBondContact O-N 3Å |
| 90 | T | 39.3 | Very low | 48.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | -72.7 | 96.6 | 167.1 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | Q88 G92 | Q88-T90 PolarHBondContact O-N 2.71Å; Q88-T90 VanDerWaalsContact O-N 3.09Å; T90-G92 PolarHBondContact O-N 2.93Å |
| 91 | Q | 44 | Very low | 47.6 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | | | trans | -59.4 | 116.5 | 154.9 | -174.6 | -177.5 | 2.8 | 0 | 0 | 107.4 | S89 | S89-Q91 PolarHBondContact O-N 3Š|
| 92 | G | 36.1 | Very low | 46.6 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | -173.2 | 102.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | T90 | T90-G92 PolarHBondContact O-N 2.93Š|
| 93 | D | 40.9 | Very low | 45.5 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -55.2 | 162.6 | 171.2 | -157.4 | 4.2 | 0 | 0 | 0 | 113.4 | | |
| 94 | A | 42.5 | Very low | 44.3 | Very low | 73 Ų | 73 | 128 Ų | 128 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | | | trans | 78.2 | 116.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 95 | F | 47.4 | Very low | 42.8 | Very low | 215 Ų | 215 | 129.9 Ų | 129.9 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | | | trans | 15.5 | 106.5 | 139.5 | -57.9 | -90.5 | 0 | 0 | 0 | 118.2 | | |
| 96 | A | 38.3 | Very low | 42.8 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -153.7 | 104.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T98 | A96-T98 PolarHBondContact O-N 2.83Š|
| 97 | T | 47.6 | Very low | 41.7 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -49.9 | 130.7 | 155.6 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 98 | T | 45.2 | Very low | 41.3 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | | | trans | -148.7 | 104.8 | 147.3 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | A96 F100 | A96-T98 PolarHBondContact O-N 2.83Å; T98-F100 HydrophobicContact CG2-CE2 3.61Å; T98-F100 HydrophobicContact CG2-CZ 4.05Å; T98-F100 WeakPolarHBondContact OG1-CE2 2.99Å; T98-F100 WeakPolarHBondContact OG1-CZ 3.46Å |
| 99 | S | 46.1 | Very low | 40.6 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -51.9 | 137.5 | 162.3 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 100 | F | 40 | Very low | 40.5 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | trans | -138.6 | 144.8 | 149.1 | -55.4 | -74.2 | 0 | 0 | 0 | 111.3 | T98 | T98-F100 HydrophobicContact CG2-CE2 3.61Å; T98-F100 HydrophobicContact CG2-CZ 4.05Å; T98-F100 WeakPolarHBondContact OG1-CE2 2.99Å; T98-F100 WeakPolarHBondContact OG1-CZ 3.46Å |
| 101 | S | 36.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -77.6 | 147 | -151.7 | -169 | 0 | 0 | 0 | 0 | 114.5 | | |
| 102 | A | 36.8 | Very low | 40.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -58.6 | 139.2 | 154 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 103 | G | 34.2 | Very low | 40.8 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -173.4 | 126.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 104 | T | 37.4 | Very low | 40.9 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 151.5 | -174.2 | 42.2 | 0 | 0 | 0 | 0 | 115 | | |
| 105 | D | 31.4 | Very low | 40.8 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | 83.9 | 132.2 | 139.7 | -114.9 | -15.2 | 0 | 0 | 0 | 122.8 | | |
| 106 | L | 46.2 | Very low | 40.8 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | 72 | 141 | 155.3 | -53.5 | 177.3 | 0 | 0 | 0 | 122.1 | | |
| 107 | Q | 36.5 | Very low | 41.1 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | 97.8 | 98.5 | 160.3 | -67.3 | -71.4 | -51.8 | 0 | 0 | 118.7 | | |
| 108 | R | 46.6 | Very low | 41 | Very low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -5 | 117.9 | 131.6 | 177.2 | -175.6 | -70.6 | 166.4 | -2.2 | 113.5 | | |
| 109 | E | 36.2 | Very low | 40.9 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -156.9 | 134.2 | 140.1 | -153.1 | 75 | 168 | 0 | 0 | 108.7 | N111 | E109-N111 PolarHBondContact O-N 3.39Š|
| 110 | S | 42 | Very low | 40.6 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.8 | -177.5 | 161.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 111 | N | 37.8 | Very low | 40.6 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.2 | 168.3 | -69 | -63.9 | 0 | 0 | 0 | 109.9 | E109 C113 | E109-N111 PolarHBondContact O-N 3.39Å; N111-C113 PolarHBondContact O-N 2.55Å |
| 112 | P | 48.1 | Very low | 41 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 123.5 | -176.8 | 29.5 | -32 | 0 | 0 | 0 | 110.5 | | |
| 113 | C | 38.8 | Very low | 40.8 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.9 | 166.3 | -47.5 | 0 | 0 | 0 | 0 | 108.6 | N111 V115 | N111-C113 PolarHBondContact O-N 2.55Å; C113-V115 PolarHBondContact O-N 2.78Å |
| 114 | P | 42.8 | Very low | 41.2 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 107.9 | 169.7 | 26.3 | -31 | 0 | 0 | 0 | 108.9 | I116 | P114-I116 PolarHBondContact O-N 2.66Š|
| 115 | V | 40.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | -70 | 106 | 167.2 | 174.5 | 0 | 0 | 0 | 0 | 107 | C113 T117 | C113-V115 PolarHBondContact O-N 2.78Å; V115-T117 HydrophobicContact CG1-CG2 4.11Å; V115-T117 PolarHBondContact O-N 2.66Å; V115-T117 VanDerWaalsContact O-N 3.08Å |
| 116 | I | 47.5 | Very low | 41.4 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -69.2 | 98.3 | 165.4 | 13.6 | 170.3 | 0 | 0 | 0 | 107.4 | P114 V118 | P114-I116 PolarHBondContact O-N 2.66Å; I116-V118 PolarHBondContact O-N 3.29Å |
| 117 | T | 45.9 | Very low | 41.1 | Very low | 105 Ų | 105 | 145 Ų | 145 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | | | trans | -73 | 116.4 | 167.9 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | V115 E119 | V115-T117 HydrophobicContact CG1-CG2 4.11Å; V115-T117 PolarHBondContact O-N 2.66Å; V115-T117 VanDerWaalsContact O-N 3.08Å; T117-E119 PolarHBondContact O-N 3.05Å |
| 118 | V | 44.2 | Very low | 41.3 | Very low | 126 Ų | 126 | 145 Ų | 145 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -72.4 | 104.1 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 106.6 | I116 H120 | I116-V118 PolarHBondContact O-N 3.29Å; V118-H120 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact O-N 3.17Å |
| 119 | E | 44.1 | Very low | 40.9 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 116.9 | 169.4 | -82.2 | -66.3 | 176 | 0 | 0 | 109.2 | T117 F121 | T117-E119 PolarHBondContact O-N 3.05Å; E119-F121 PolarHBondContact O-N 2.88Å |
| 120 | H | 40.3 | Very low | 41.3 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 116.6 | 170.8 | -81.3 | -154 | 0 | 0 | 0 | 108.4 | V118 K122 | V118-H120 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact O-N 3.17Å; H120-K122 PolarHBondContact O-N 2.81Å |
| 121 | F | 38.3 | Very low | 41.7 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.8 | 169.2 | 67.9 | -88.4 | 0 | 0 | 0 | 108.6 | E119 E123 | E119-F121 PolarHBondContact O-N 2.88Å; F121-E123 PolarHBondContact O-N 2.88Å |
| 122 | K | 46.3 | Very low | 41.9 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -72.3 | 115.4 | -179.5 | -172 | 170.3 | -179.7 | 174.5 | 0 | 109.6 | H120 S124 | H120-K122 PolarHBondContact O-N 2.81Å; K122-S124 PolarHBondContact O-N 3.3Å |
| 123 | E | 32.3 | Very low | 41.2 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -40.2 | 117.2 | 161.9 | -175.1 | 158.9 | -160.2 | 0 | 0 | 111.3 | F121 | F121-E123 PolarHBondContact O-N 2.88Š|
| 124 | S | 42.6 | Very low | 41.8 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -109.5 | 110.9 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 110 | K122 | K122-S124 PolarHBondContact O-N 3.3Š|
| 125 | L | 36.8 | Very low | 41.5 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | trans | -61.5 | 127.2 | 176.4 | -156.9 | 99.5 | 0 | 0 | 0 | 111.9 | | |
| 126 | G | 36.8 | Very low | 41.9 | Very low | 55 Ų | 55 | 144.6 Ų | 144.6 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | trans | 87.9 | 73.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120 | K128 | G126-K128 PolarHBondContact O-NZ 3.28Š|
| 127 | V | 38.9 | Very low | 41.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | -135.9 | 95.1 | 156.4 | -159.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 128 | K | 40.9 | Very low | 41.8 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -0.4 | 124.9 | 146.9 | 43.1 | -89.8 | 165.4 | -150.5 | 0 | 115.6 | G126 | G126-K128 PolarHBondContact O-NZ 3.28Š|
| 129 | G | 37.3 | Very low | 41.7 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 161.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 130 | L | 46.2 | Very low | 41.7 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -144.5 | 144.2 | 160.3 | -74.4 | 178.9 | 0 | 0 | 0 | 109.1 | | |
| 131 | P | 48.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 142.3 | -171.9 | 28.3 | -33.7 | 0 | 0 | 0 | 112.6 | | |
| 132 | L | 42.5 | Very low | 41.5 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 142.5 | 172.4 | -67.8 | 164.8 | 0 | 0 | 0 | 111.2 | | |
| 133 | Y | 34.6 | Very low | 41.3 | Very low | 223 Ų | 223 | 138.4 Ų | 138.4 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 155.3 | -176.8 | -169.3 | -97.5 | 0 | 0 | 0 | 112.9 | | |
| 134 | P | 50.4 | Low | 41.9 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 141.2 | -162.7 | -17 | 32.3 | 0 | 0 | 0 | 115.9 | | |
| 135 | D | 37.1 | Very low | 42 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122 | 164.2 | 175.4 | 25.9 | 0 | 0 | 0 | 111 | S137 | D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.2Å; D135-S137 PolarHBondContact OD2-OG 2.94Å |
| 136 | P | 48.1 | Very low | 42.5 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -84.5 | 70.7 | -179.8 | 35.5 | -33.1 | 0 | 0 | 0 | 110.5 | | |
| 137 | S | 48 | Very low | 42.7 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -140.2 | 11.8 | 179.6 | 76.9 | 0 | 0 | 0 | 0 | 116.1 | D135 | D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.2Å; D135-S137 PolarHBondContact OD2-OG 2.94Å |
| 138 | R | 43.5 | Very low | 43.2 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | | | trans | -116 | 97.2 | 178.7 | -165 | 173.6 | -68.8 | -129.1 | -0.6 | 113.1 | | |
| 139 | V | 42.7 | Very low | 43.5 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 130.2 | 162.9 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 140 | P | 43.3 | Very low | 44 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 134.1 | -179.3 | -22.5 | 33.9 | 0 | 0 | 0 | 113 | | |
| 141 | G | 33.2 | Very low | 44.1 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 153.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 142 | T | 40.8 | Very low | 44.1 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | trans | -134.8 | 139.6 | 151.1 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 143 | K | 43.6 | Very low | 44.7 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -53 | 142.6 | -178 | 77.7 | -167.3 | -171.4 | -173.9 | 0 | 111.9 | | |
| 144 | T | 43.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -168.3 | 135.2 | 131.6 | -66.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 145 | Q | 44.9 | Very low | 45.7 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -46.4 | 144.5 | 174.8 | -69.2 | 162.2 | -109.4 | 0 | 0 | 112.2 | | |
| 146 | N | 47.2 | Very low | 46.1 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | | -167.8 | 139.4 | 120.7 | -76.5 | -32.8 | 0 | 0 | 0 | 109.7 | | |
| 147 | N | 40.7 | Very low | 46.3 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -108.6 | 129.7 | -170.6 | -176.3 | -74.8 | 0 | 0 | 0 | 106.2 | | |
| 148 | L | 49.3 | Very low | 46.9 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | | | trans | -179.3 | 134.4 | 138 | -126.3 | 68.9 | 0 | 0 | 0 | 111.9 | | |
| 149 | E | 48.7 | Very low | 47.2 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | | | trans | -37.1 | 138.4 | 169.5 | -80.7 | 90.1 | 139.6 | 0 | 0 | 116.2 | | |
| 150 | S | 47 | Very low | 47.5 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | -158.7 | 74.4 | 144.4 | -72.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 151 | D | 49.1 | Very low | 47.8 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -97.7 | 71.7 | 173.3 | -160.1 | 10.1 | 0 | 0 | 0 | 108.8 | | |
| 152 | Y | 47 | Very low | 48.7 | Very low | 222 Ų | 222 | 146.1 Ų | 146.1 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | | | trans | -154.1 | 106.1 | 167.4 | -78.7 | -77.7 | 0 | 0 | 0 | 109.7 | | |
| 153 | L | 55.1 | Low | 49.3 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 158.4 | 88.3 | 133.5 | -79.8 | -178.9 | 0 | 0 | 0 | 108.8 | R155 | L153-R155 PolarHBondContact O-N 2.73Š|
| 154 | A | 54.6 | Low | 49.4 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -54.4 | 117 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 155 | R | 52 | Low | 49.5 | Very low | 232 Ų | 232 | 145.7 Ų | 145.7 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | trans | -131.4 | 97 | 162.3 | -90.9 | -88.4 | -174.1 | 151.1 | 0.6 | 106.8 | L153 | L153-R155 PolarHBondContact O-N 2.73Š|
| 156 | D | 44.9 | Very low | 50 | Low | 163 Ų | 163 | 142.6 Ų | 142.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | -36.1 | 136.8 | 165 | -92.8 | -38.8 | 0 | 0 | 0 | 112.4 | | |
| 157 | G | 53.8 | Low | 50.4 | Low | 58 Ų | 58 | 137.5 Ų | 137.5 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | trans | -62 | 145.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S159 | G157-S159 PolarHBondContact O-N 2.87Š|
| 158 | P | 59.3 | Low | 51.2 | Low | 137 Ų | 137 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -67.7 | 102.7 | -178.8 | 25.2 | -30 | 0 | 0 | 0 | 110.4 | | |
| 159 | S | 49.9 | Very low | 51.4 | Low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | -52.8 | 130.4 | 162.4 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | G157 N161 | G157-S159 PolarHBondContact O-N 2.87Å; S159-N161 PolarHBondContact O-N 3.37Å |
| 160 | S | 49.7 | Very low | 52 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -53.7 | 119.8 | 162.9 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 161 | N | 49.5 | Very low | 52.4 | Low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | -146.4 | 121.7 | 157.9 | -82.5 | -29.4 | 0 | 0 | 0 | 108.7 | S159 | S159-N161 PolarHBondContact O-N 3.37Š|
| 162 | S | 52.7 | Low | 52.5 | Low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -45.4 | 135.1 | 166.9 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 163 | S | 51.5 | Low | 53 | Low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -131.5 | 98.3 | 156.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 164 | F | 46.7 | Very low | 53 | Low | 194 Ų | 194 | 132.8 Ų | 132.8 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -75.5 | 114.3 | 155.6 | -93.3 | -92.5 | 0 | 0 | 0 | 106.7 | | |
| 165 | H | 45 | Very low | 53.3 | Low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | | | trans | -111.6 | 103.4 | 157.5 | -132.2 | -70.3 | 0 | 0 | 0 | 106.9 | S167 | H165-S167 PolarHBondContact ND1-OG 3.23Š|
| 166 | S | 57.1 | Low | 53.6 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -117 | 119.6 | 160.6 | -64.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 167 | S | 54.3 | Low | 54.3 | Low | 61 Ų | 61 | 127 Ų | 127 | 43% | 0.427 | 75% | 0.745 | S | S | . | * | | | trans | -177.6 | 109.5 | 169.5 | 54.6 | 0 | 0 | 0 | 0 | 105.2 | H165 | H165-S167 PolarHBondContact ND1-OG 3.23Š|
| 168 | E | 58.8 | Low | 54.8 | Low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 68.6 | 137.3 | 101.7 | 91.6 | -166.9 | 97.5 | 0 | 0 | 110.8 | | |
| 169 | E | 52.5 | Low | 54.9 | Low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | cis | -172.2 | 161.6 | 22.5 | 58.5 | -169.8 | 163.6 | 0 | 0 | 107.4 | | |
| 170 | E | 60.5 | Low | 55.5 | Low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | trans | 70 | 113.4 | 141.9 | -151.5 | 156.8 | 134.4 | 0 | 0 | 117.4 | | |
| 171 | G | 56.1 | Low | 55.5 | Low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | | 118.4 | 88.1 | 53.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 172 | T | 51.8 | Low | 56 | Low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -151.2 | 112.4 | 149.7 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | L174 | T172-L174 PolarHBondContact O-N 3.35Š|
| 173 | D | 57.6 | Low | 56.3 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | trans | -42.6 | 114.7 | 153 | 173.8 | 27.3 | 0 | 0 | 0 | 110.5 | | |
| 174 | L | 54.8 | Low | 56.7 | Low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | | | trans | -141 | 103.1 | 157 | -132.2 | 93.6 | 0 | 0 | 0 | 106.5 | T172 G176 | T172-L174 PolarHBondContact O-N 3.35Å; L174-G176 PolarHBondContact O-N 3.09Å; L174-G176 VanDerWaalsContact O-N 3.1Å |
| 175 | E | 60.9 | Low | 57.6 | Low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | | | trans | -44.1 | 117.2 | 156.2 | -90.8 | -139.4 | 140.5 | 0 | 0 | 109 | | |
| 176 | G | 58 | Low | 58.3 | Low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | -162.3 | 70.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L174 | L174-G176 PolarHBondContact O-N 3.09Å; L174-G176 VanDerWaalsContact O-N 3.1Å |
| 177 | D | 60.1 | Low | 58.4 | Low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | trans | 50.9 | 92.2 | 141.3 | -151.6 | 8.6 | 0 | 0 | 0 | 116.1 | L179 | D177-L179 HydrophobicContact CB-CG 4.14Å; D177-L179 VanDerWaalsContact CG-CD2 3.41Å; D177-L179 PolarHBondContact O-N 2.84Å; D177-L179 VanDerWaalsContact OD1-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD1-CD2 3.16Å; D177-L179 WeakPolarHBondContact OD2-CD1 3.45Å; D177-L179 WeakPolarHBondContact OD2-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD2-CG 3.24Å |
| 178 | M | 64.1 | Low | 58.8 | Low | 195 Ų | 195 | 136.4 Ų | 136.4 | 96% | 0.961 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 74.9 | 162.3 | -70.1 | -179.1 | -62.7 | 0 | 0 | 109.2 | D180 | M178-D180 PolarHBondContact O-N 2.97Š|
| 179 | L | 60.7 | Low | 58.8 | Low | 124 Ų | 124 | 136 Ų | 136 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -72.3 | 96.6 | 172.1 | -68.1 | 176.6 | 0 | 0 | 0 | 109.6 | D177 | D177-L179 HydrophobicContact CB-CG 4.14Å; D177-L179 VanDerWaalsContact CG-CD2 3.41Å; D177-L179 PolarHBondContact O-N 2.84Å; D177-L179 VanDerWaalsContact OD1-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD1-CD2 3.16Å; D177-L179 WeakPolarHBondContact OD2-CD1 3.45Å; D177-L179 WeakPolarHBondContact OD2-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD2-CG 3.24Å |
| 180 | D | 62.1 | Low | 59.1 | Low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | trans | 34.1 | 90.8 | 132 | -167 | 13.4 | 0 | 0 | 0 | 116.6 | M178 S182 | M178-D180 PolarHBondContact O-N 2.97Å; D180-S182 VanDerWaalsContact C-N 3.27Å; D180-S182 PolarHBondContact O-N 3.01Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 3.45Å |
| 181 | C | 51.2 | Low | 58.9 | Low | 132 Ų | 132 | 132.3 Ų | 132.3 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | | | trans | -92.4 | 39.2 | 162.8 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | G183 | C181-G183 PolarHBondContact O-N 3.29Š|
| 182 | S | 58.7 | Low | 58.8 | Low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | | | trans | -78.9 | 60.9 | 162.6 | -162.7 | 0 | 0 | 0 | 0 | 110 | D180 S184 | D180-S182 VanDerWaalsContact C-N 3.27Å; D180-S182 PolarHBondContact O-N 3.01Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 3.45Å; S182-S184 PolarHBondContact O-N 3.49Å |
| 183 | G | 60.3 | Low | 59.1 | Low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -83.6 | 108 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C181 | C181-G183 PolarHBondContact O-N 3.29Š|
| 184 | S | 59.4 | Low | 59.1 | Low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | 88.8 | 53.9 | 155.9 | -41.2 | 0 | 0 | 0 | 0 | 117.9 | S182 | S182-S184 PolarHBondContact O-N 3.49Š|
| 185 | R | 65.2 | Low | 59.1 | Low | 214 Ų | 214 | 140.8 Ų | 140.8 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -79.2 | 131.3 | 137.7 | -70 | -177.4 | 171.1 | -127.5 | -2.9 | 107.2 | L187 | R185-L187 PolarHBondContact O-N 2.84Š|
| 186 | P | 60.3 | Low | 58.8 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -59.1 | 117.9 | 165.1 | 25.6 | -30.6 | 0 | 0 | 0 | 106.5 | L188 | P186-L188 VanDerWaalsContact C-N 3.31Å; P186-L188 PolarHBondContact O-N 3.44Å |
| 187 | L | 59.5 | Low | 58 | Low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -60.6 | 97.2 | 175.6 | -64.7 | 173.7 | 0 | 0 | 0 | 107.3 | R185 M189 | R185-L187 PolarHBondContact O-N 2.84Å; L187-M189 VanDerWaalsContact C-N 3.26Å; L187-M189 PolarHBondContact O-N 2.99Å |
| 188 | L | 61.4 | Low | 57.3 | Low | 159 Ų | 159 | 141.4 Ų | 141.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -67.4 | 97.2 | 162.5 | -90.4 | 175.7 | 0 | 0 | 0 | 105.4 | P186 E190 | P186-L188 VanDerWaalsContact C-N 3.31Å; P186-L188 PolarHBondContact O-N 3.44Å; L188-E190 PolarHBondContact O-N 3.06Å |
| 189 | M | 59.7 | Low | 56.5 | Low | 161 Ų | 161 | 142.5 Ų | 142.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | 4.4 | 81 | 168.3 | -156 | 75.8 | 66.1 | 0 | 0 | 113.4 | L187 S191 | L187-M189 VanDerWaalsContact C-N 3.26Å; L187-M189 PolarHBondContact O-N 2.99Å; M189-S191 PolarHBondContact O-N 2.82Å |
| 190 | E | 58.1 | Low | 56 | Low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 69.3 | 163.5 | -55.6 | 175.4 | 106 | 0 | 0 | 105.7 | L188 E192 | L188-E190 PolarHBondContact O-N 3.06Å; E190-E192 PolarHBondContact O-N 2.88Å |
| 191 | S | 56.1 | Low | 55.5 | Low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | -83.1 | 80.9 | 158 | -70.5 | 0 | 0 | 0 | 0 | 106 | M189 | M189-S191 PolarHBondContact O-N 2.82Š|
| 192 | E | 54.1 | Low | 55.3 | Low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -63 | 144.2 | 158.4 | 61.9 | -176.2 | 150.1 | 0 | 0 | 109.8 | E190 | E190-E192 PolarHBondContact O-N 2.88Š|
| 193 | E | 58.5 | Low | 54.2 | Low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | -27.3 | 142 | 166.5 | 62.3 | -154.6 | 177.4 | 0 | 0 | 117 | | |
| 194 | E | 58 | Low | 53.4 | Low | 203 Ų | 203 | 146.9 Ų | 146.9 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | | | | -146.7 | 113.2 | 128.8 | -66.5 | -159.3 | 136.6 | 0 | 0 | 109 | | |
| 195 | D | 55.3 | Low | 52.5 | Low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -76 | 153.5 | 160 | -174.3 | -131.1 | 0 | 0 | 0 | 109.2 | | |
| 196 | E | 53.4 | Low | 50.9 | Low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | 81.1 | 72 | 162.1 | -142.9 | 79 | 125 | 0 | 0 | 120.1 | | |
| 197 | S | 42.7 | Very low | 49.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -151.8 | 68.4 | 141.2 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | R199 | S197-R199 VanDerWaalsContact C-N 3.28Å; S197-R199 PolarHBondContact O-N 3.04Å |
| 198 | C | 44.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 84.4 | 160.1 | -74.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 199 | R | 46.7 | Very low | 46.9 | Very low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | | | trans | -127.1 | 113.3 | 166.6 | -80.4 | -96 | -92.5 | -151.4 | -9.4 | 109.8 | S197 | S197-R199 VanDerWaalsContact C-N 3.28Å; S197-R199 PolarHBondContact O-N 3.04Å |
| 200 | P | 50.3 | Low | 46 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.8 | 171.8 | 29.4 | -31.1 | 0 | 0 | 0 | 110.1 | | |
| 201 | P | 51.4 | Low | 44.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.6 | 165.8 | 26.8 | -29.2 | 0 | 0 | 0 | 109.8 | | |
| 202 | P | 47 | Very low | 43.8 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 140.9 | -179.9 | 31.3 | -33 | 0 | 0 | 0 | 111.3 | | |
| 203 | G | 36.1 | Very low | 43.1 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 163 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 204 | K | 43 | Very low | 42 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -172.8 | 115.9 | 142.8 | -125.5 | 84.6 | 161.1 | -164.9 | 0 | 112.6 | | |
| 205 | L | 41.3 | Very low | 40.6 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | 42 | 121.3 | 135.6 | -57 | 172.6 | 0 | 0 | 0 | 122.8 | | |
| 206 | G | 31.8 | Very low | 39.3 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | | 127.3 | 116.2 | 125.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 207 | G | 29.9 | Very low | 38.4 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 134.4 | 76.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 208 | A | 31 | Very low | 38.2 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 66.4 | 123.9 | 133.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 209 | V | 36.7 | Very low | 37.3 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | 98.1 | 132.4 | 146.6 | -170.2 | 0 | 0 | 0 | 0 | 119 | | |
| 210 | P | 39.1 | Very low | 36.7 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | trans | -109.8 | 158.2 | -155.2 | 39.3 | -25.8 | 0 | 0 | 0 | 113.8 | | |
| 211 | F | 30.5 | Very low | 35.6 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -137 | 114.9 | 150.7 | -117.4 | -89.6 | 0 | 0 | 0 | 108.8 | | |
| 212 | A | 38.3 | Very low | 34.9 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 145.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 213 | P | 38.5 | Very low | 34.1 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 154 | 140.8 | 31.9 | -21.3 | 0 | 0 | 0 | 110 | | |
| 214 | P | 36 | Very low | 34 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 140.1 | -160.8 | 29.1 | -33.6 | 0 | 0 | 0 | 114 | | |
| 215 | E | 29.7 | Very low | 33.7 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.4 | 164.4 | 179.1 | -168.4 | 141.7 | 0 | 0 | 112.3 | | |
| 216 | V | 28.3 | Very low | 33.4 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -161.9 | 105 | 137.8 | 39.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 217 | S | 34.2 | Very low | 33.5 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -113.9 | 147.1 | 154.1 | -178.1 | 0 | 0 | 0 | 0 | 104.2 | | |
| 218 | P | 37.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 136 Ų | 136 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | | -145.3 | -175.4 | 66.9 | 39.7 | -16.6 | 0 | 0 | 0 | 110.4 | | |
| 219 | E | 26.5 | Very low | 35 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | | | cis | -174.1 | 136.9 | 28.9 | -166.4 | 151.1 | 104.1 | 0 | 0 | 108.7 | | |
| 220 | Q | 32.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | 53.2 | 122.1 | 146.8 | -65.8 | -178.8 | 60.5 | 0 | 0 | 122.5 | | |
| 221 | A | 28.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | | -168.7 | 135.9 | 96.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 222 | K | 35.8 | Very low | 36.2 | Very low | 200 Ų | 200 | 143 Ų | 143 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -65.2 | 148.5 | 177.5 | -66.3 | 167 | 174.4 | 176.3 | 0 | 111.8 | | |
| 223 | T | 30.2 | Very low | 36.2 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | | 176.9 | 119.8 | 106.9 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 224 | V | 34.7 | Very low | 36.1 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -5.4 | 123.4 | 146.2 | 178.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 225 | Q | 36.3 | Very low | 36.1 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | | 163.2 | 122.5 | 125.2 | -88.9 | -154.5 | -4.1 | 0 | 0 | 106 | | |
| 226 | G | 35.9 | Very low | 36.7 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | | 96.3 | 81.6 | 56.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 227 | G | 33.4 | Very low | 37.5 | Very low | 67 Ų | 67 | 145.4 Ų | 145.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 105.1 | 131 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 228 | R | 44.8 | Very low | 37.8 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | 88.9 | 132 | 134.7 | -38.5 | -172.1 | 88.1 | 179.4 | 3.9 | 118 | | |
| 229 | K | 47.3 | Very low | 38 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 114.6 | 154.1 | 65.3 | 178.8 | 178.1 | -175.7 | 0 | 118.2 | Q231 | K229-Q231 PolarHBondContact O-N 3.15Š|
| 230 | N | 47.7 | Very low | 38.5 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -47 | 107.5 | 159.6 | -61.3 | -58.3 | 0 | 0 | 0 | 109.7 | | |
| 231 | Q | 41.3 | Very low | 39.1 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -95.4 | 111 | 155.3 | -94.3 | -168.9 | 64.6 | 0 | 0 | 106 | K229 Q233 | K229-Q231 PolarHBondContact O-N 3.15Å; Q231-Q233 PolarHBondContact O-N 2.91Å |
| 232 | F | 41.8 | Very low | 40.2 | Very low | 204 Ų | 204 | 142 Ų | 142 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | -66.2 | 90.9 | 152.9 | -72.8 | -82.4 | 0 | 0 | 0 | 106.3 | A234 | F232-A234 PolarHBondContact O-N 2.83Å; F232-A234 VanDerWaalsContact O-N 3.15Å |
| 233 | Q | 38.8 | Very low | 41 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | trans | -72.1 | 103.8 | 172.7 | -168 | 171.1 | 20.6 | 0 | 0 | 106.8 | Q231 F235 | Q231-Q233 PolarHBondContact O-N 2.91Å; Q233-F235 PolarHBondContact O-N 2.74Å; Q233-F235 VanDerWaalsContact O-N 3.11Å |
| 234 | A | 37.4 | Very low | 42.3 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -56.2 | 117.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | F232 T236 | F232-A234 PolarHBondContact O-N 2.83Å; F232-A234 VanDerWaalsContact O-N 3.15Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.05Å |
| 235 | F | 36 | Very low | 43.5 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | | | trans | -66.3 | 93.3 | 179.9 | -150.1 | -84.3 | 0 | 0 | 0 | 108 | Q233 Q237 | Q233-F235 PolarHBondContact O-N 2.74Å; Q233-F235 VanDerWaalsContact O-N 3.11Å; F235-Q237 HydrophobicContact CD1-CG 4.1Å; F235-Q237 PolarHBondContact O-N 3.15Å |
| 236 | T | 42 | Very low | 45 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -66.4 | 99.2 | 165.3 | 34.4 | 0 | 0 | 0 | 0 | 107.7 | A234 P238 | A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.05Å; T236-P238 WeakPolarHBondContact O-CD 3.45Å |
| 237 | Q | 44.9 | Very low | 46.8 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.2 | 167.7 | -71.2 | -97 | -48.1 | 0 | 0 | 108.4 | F235 | F235-Q237 HydrophobicContact CD1-CG 4.1Å; F235-Q237 PolarHBondContact O-N 3.15Å |
| 238 | P | 40.3 | Very low | 48.9 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.2 | 169.6 | 30.2 | -30.2 | 0 | 0 | 0 | 109.5 | T236 T240 | T236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-T240 PolarHBondContact O-N 2.86Å |
| 239 | A | 42.7 | Very low | 50 | Low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 118.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 240 | T | 36.8 | Very low | 51.2 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | trans | -123 | 108.7 | 161.6 | 59.6 | 0 | 0 | 0 | 0 | 108.7 | P238 | P238-T240 PolarHBondContact O-N 2.86Š|
| 241 | D | 44.5 | Very low | 52 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | | | trans | -16.2 | 126.8 | 151.5 | -154.2 | 6.2 | 0 | 0 | 0 | 114.8 | | |
| 242 | G | 52.2 | Low | 53.4 | Low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 58.8 | 115.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 243 | L | 51.3 | Low | 54.9 | Low | 185 Ų | 185 | 119.3 Ų | 119.3 | 97% | 0.969 | 70% | 0.698 | S | S | * | * | | | trans | 89.9 | 36.2 | 162.2 | -45.8 | 175.8 | 0 | 0 | 0 | 118.2 | | |
| 244 | S | 57.4 | Low | 55.9 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | -92 | 141.1 | 160.8 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 245 | E | 61.2 | Low | 57.1 | Low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | | | trans | -44.2 | 131.9 | 177.2 | -172.6 | 174.5 | 176 | 0 | 0 | 111.6 | D247 | E245-D247 PolarHBondContact O-N 3.28Š|
| 246 | P | 66.7 | Low | 58.1 | Low | 99 Ų | 99 | 122.1 Ų | 122.1 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | | | trans | -62.4 | 116 | -179.1 | -16.5 | 28.3 | 0 | 0 | 0 | 109.5 | V248 | P246-V248 PolarHBondContact O-N 3.1Š|
| 247 | D | 75.3 | Confident | 58.9 | Low | 81 Ų | 81 | 120.1 Ų | 120.1 | 43% | 0.433 | 69% | 0.686 | S | S | . | * | | | trans | -47.6 | 114.9 | 169.4 | 177.8 | -0.2 | 0 | 0 | 0 | 108.5 | E245 F249 A250 | E245-D247 PolarHBondContact O-N 3.28Å; D247-F249 PolarHBondContact O-N 3.27Å; D247-F249 WeakPolarHBondContact OD1-CB 3.45Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.33Å; D247-F249 PolarHBondContact OD1-N 3.48Å; D247-A250 HydrophobicContact CB-CB 3.99Å; D247-A250 WeakPolarHBondContact O-CA 3.17Å; D247-A250 VanDerWaalsContact O-CB 3.24Å; D247-A250 WeakPolarHBondContact O-CB 3.15Å; D247-A250 PolarHBondContact O-N 3.24Å |
| 248 | V | 76.3 | Confident | 59.5 | Low | 99 Ų | 99 | 123.7 Ų | 123.7 | 60% | 0.6 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -24.5 | -178 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | P246 I251 | P246-V248 PolarHBondContact O-N 3.1Å; V248-I251 WeakPolarHBondContact O-CG1 3.14Å |
| 249 | F | 67.4 | Low | 60.3 | Low | 150 Ų | 150 | 123.6 Ų | 123.6 | 66% | 0.658 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12 | 174.8 | -59 | -78.1 | 0 | 0 | 0 | 113.7 | D247 | D247-F249 PolarHBondContact O-N 3.27Å; D247-F249 WeakPolarHBondContact OD1-CB 3.45Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.33Å; D247-F249 PolarHBondContact OD1-N 3.48Å |
| 250 | A | 72.5 | Confident | 60.9 | Low | 67 Ų | 67 | 124 Ų | 124 | 55% | 0.554 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -25.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | D247 | D247-A250 HydrophobicContact CB-CB 3.99Å; D247-A250 WeakPolarHBondContact O-CA 3.17Å; D247-A250 VanDerWaalsContact O-CB 3.24Å; D247-A250 WeakPolarHBondContact O-CB 3.15Å; D247-A250 PolarHBondContact O-N 3.24Å |
| 251 | I | 66.1 | Low | 61.8 | Low | 134 Ų | 134 | 125.1 Ų | 125.1 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -90.6 | -4.7 | 173.8 | 53.9 | 170.7 | 0 | 0 | 0 | 112.9 | V248 | V248-I251 WeakPolarHBondContact O-CG1 3.14Š|
| 252 | A | 70.2 | Confident | 62.4 | Low | 31 Ų | 31 | 121.9 Ų | 121.9 | 26% | 0.256 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -69 | 142.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F254 | A252-F254 HydrophobicContact CB-CD2 4.39Å; A252-F254 CarbonylContact O-C 3.56Å; A252-F254 PolarHBondContact O-N 2.8Å |
| 253 | P | 72.5 | Confident | 63 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -59.3 | -19.8 | 176.2 | -23.1 | 33.1 | 0 | 0 | 0 | 113.4 | R255 | P253-R255 PolarHBondContact O-N 3.12Å; P253-R255 VanDerWaalsContact O-N 3.15Å |
| 254 | F | 60.3 | Low | 64 | Low | 177 Ų | 177 | 122.1 Ų | 122.1 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -74.2 | 102 | 169.6 | -50.7 | -72.8 | 0 | 0 | 0 | 108.2 | A252 S256 | A252-F254 HydrophobicContact CB-CD2 4.39Å; A252-F254 CarbonylContact O-C 3.56Å; A252-F254 PolarHBondContact O-N 2.8Å; F254-S256 PolarHBondContact O-N 3.45Å |
| 255 | R | 62.3 | Low | 65 | Low | 233 Ų | 233 | 121.8 Ų | 121.8 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | | | trans | -52.6 | 103.5 | 168.2 | -68 | -177 | 147.8 | -149.8 | -7.6 | 107.9 | P253 S257 | P253-R255 PolarHBondContact O-N 3.12Å; P253-R255 VanDerWaalsContact O-N 3.15Å; R255-S257 PolarHBondContact O-N 2.97Å |
| 256 | S | 56.4 | Low | 65.9 | Low | 75 Ų | 75 | 120.2 Ų | 120.2 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | | | trans | -64 | 89.9 | 161.3 | 58.9 | 0 | 0 | 0 | 0 | 105.4 | F254 R258 | F254-S256 PolarHBondContact O-N 3.45Å; S256-R258 PolarHBondContact O-N 3.22Å |
| 257 | S | 58.7 | Low | 66.1 | Low | 88 Ų | 88 | 121.8 Ų | 121.8 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | | | trans | -70 | 79 | -177.4 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | R255 V259 | R255-S257 PolarHBondContact O-N 2.97Å; S257-V259 PolarHBondContact O-N 2.79Å; S257-V259 WeakPolarHBondContact OG-CB 3.42Å; S257-V259 WeakPolarHBondContact OG-CG2 3.11Å |
| 258 | R | 58.9 | Low | 66.1 | Low | 226 Ų | 226 | 121.2 Ų | 121.2 | 85% | 0.853 | 64% | 0.639 | S | S | * | * | | | trans | -70.5 | 59.9 | 153.1 | -63.9 | -152.1 | -68.4 | -131.1 | 1.3 | 107.9 | S256 | S256-R258 PolarHBondContact O-N 3.22Š|
| 259 | V | 56.3 | Low | 65.9 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | | | trans | -77.7 | 128.7 | 161 | 169 | 0 | 0 | 0 | 0 | 104.8 | S257 N261 | S257-V259 PolarHBondContact O-N 2.79Å; S257-V259 WeakPolarHBondContact OG-CB 3.42Å; S257-V259 WeakPolarHBondContact OG-CG2 3.11Å; V259-N261 PolarHBondContact O-N 2.99Å |
| 260 | P | 56.5 | Low | 66.5 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | | | trans | -51 | 136.9 | 176.9 | -20.9 | 30.5 | 0 | 0 | 0 | 109.3 | D262 | P260-D262 PolarHBondContact O-N 3.06Š|
| 261 | N | 55.2 | Low | 66.8 | Low | 141 Ų | 141 | 120.1 Ų | 120.1 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | | | trans | -41 | 98.8 | 176.1 | -78 | -58.3 | 0 | 0 | 0 | 111 | V259 | V259-N261 PolarHBondContact O-N 2.99Š|
| 262 | D | 57.9 | Low | 67.2 | Low | 95 Ų | 95 | 119 Ų | 119 | 51% | 0.508 | 62% | 0.624 | S | S | . | * | | | trans | -87.7 | 94.7 | 146.2 | -158.2 | 33 | 0 | 0 | 0 | 102.1 | P260 M264 K269 | P260-D262 PolarHBondContact O-N 3.06Å; D262-M264 PolarHBondContact O-N 2.99Å; D262-M264 WeakPolarHBondContact OD1-CG 2.98Å; D262-K269 WeakPolarHBondContact OD2-CE 3.36Å; D262-K269 IonicContact OD2-NZ 2.73Å; D262-K269 PolarHBondContact OD2-NZ 3.35Å |
| 263 | D | 63.3 | Low | 67 | Low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | | | trans | -61.3 | 17.1 | 176.9 | -84.2 | -33.7 | 0 | 0 | 0 | 112.6 | | |
| 264 | M | 73.5 | Confident | 66.6 | Low | 100 Ų | 100 | 121.6 Ų | 121.6 | 49% | 0.493 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -93.8 | 109.4 | 178.5 | -47.6 | -160.2 | 81.4 | 0 | 0 | 107.4 | D262 I266 K269 | D262-M264 PolarHBondContact O-N 2.99Å; D262-M264 WeakPolarHBondContact OD1-CG 2.98Å; M264-I266 PolarHBondContact O-N 3.11Å; M264-K269 VanDerWaalsContact CB-CE 3.43Å; M264-K269 VanDerWaalsContact SD-CE 3.54Å; M264-K269 PolarHBondContact SD-NZ 3.02Å |
| 265 | D | 76.9 | Confident | 66.8 | Low | 97 Ų | 97 | 122.9 Ų | 122.9 | 52% | 0.519 | 64% | 0.642 | S | S | . | * | | | trans | -42.4 | 136.7 | 174.9 | -176.8 | 10.2 | 0 | 0 | 0 | 111.3 | F267 S268 | D265-F267 PolarHBondContact O-N 2.9Å; D265-F267 VanDerWaalsContact O-N 3.09Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-F267 PolarHBondContact OD1-N 2.88Å; D265-S268 WeakPolarHBondContact O-CA 3.44Å; D265-S268 WeakPolarHBondContact O-CB 3.48Å; D265-S268 PolarHBondContact O-N 2.82Å |
| 266 | I | 80.2 | Confident | 66.4 | Low | 141 Ų | 141 | 117.1 Ų | 117.1 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -54.7 | -32.3 | -179 | -71.6 | 165.3 | 0 | 0 | 0 | 110.8 | M264 S268 K269 A270 | M264-I266 PolarHBondContact O-N 3.11Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.06Å; I266-K269 PolarHBondContact O-N 2.84Å; I266-K269 VanDerWaalsContact O-N 3.15Å; I266-A270 PolarHBondContact O-N 3.35Å |
| 267 | F | 71.6 | Confident | 66.2 | Low | 132 Ų | 132 | 119 Ų | 119 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.4 | -24.1 | 173.7 | -65.1 | -82.1 | 0 | 0 | 0 | 113.4 | D265 K269 F272 S274 | D265-F267 PolarHBondContact O-N 2.9Å; D265-F267 VanDerWaalsContact O-N 3.09Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-F267 PolarHBondContact OD1-N 2.88Å; F267-K269 VanDerWaalsContact C-N 3.34Å; F267-F272 HydrophobicContact CB-CE2 3.89Å; F267-F272 HydrophobicContact CB-CZ 4.2Å; F267-F272 AromaticContact CD1-CE2 3.93Å; F267-F272 HydrophobicContact CD1-CE2 3.93Å; F267-F272 AromaticContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CE1-CZ 4.47Å; F267-F272 HydrophobicContact CG-CE2 4.42Å; F267-F272 HydrophobicContact CG-CZ 4.34Å; F267-F272 WeakPolarHBondContact O-CE2 3.4Å; F267-S274 PolarHBondContact O-OG 3.18Å |
| 268 | S | 75.9 | Confident | 66 | Low | 68 Ų | 68 | 123.9 Ų | 123.9 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -77.1 | -20.2 | 173.4 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | D265 I266 | D265-S268 WeakPolarHBondContact O-CA 3.44Å; D265-S268 WeakPolarHBondContact O-CB 3.48Å; D265-S268 PolarHBondContact O-N 2.82Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.06Å |
| 269 | K | 71.5 | Confident | 65.1 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 53% | 0.53 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -95.6 | -12.3 | 179 | -61.9 | -66.5 | 174.1 | 156.7 | 0 | 113.4 | D262 M264 I266 F267 | D262-K269 WeakPolarHBondContact OD2-CE 3.36Å; D262-K269 IonicContact OD2-NZ 2.73Å; D262-K269 PolarHBondContact OD2-NZ 3.35Å; M264-K269 VanDerWaalsContact CB-CE 3.43Å; M264-K269 VanDerWaalsContact SD-CE 3.54Å; M264-K269 PolarHBondContact SD-NZ 3.02Å; I266-K269 PolarHBondContact O-N 2.84Å; I266-K269 VanDerWaalsContact O-N 3.15Å; F267-K269 VanDerWaalsContact C-N 3.34Å |
| 270 | A | 80.6 | Confident | 64.3 | Low | 28 Ų | 28 | 117.1 Ų | 117.1 | 23% | 0.231 | 66% | 0.66 | C | S | . | * | S | Bend | trans | -78.1 | 151.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I266 F272 | I266-A270 PolarHBondContact O-N 3.35Å; A270-F272 HydrophobicContact CB-CD1 3.6Å; A270-F272 HydrophobicContact CB-CD2 4.15Å; A270-F272 HydrophobicContact CB-CE1 3.06Å; A270-F272 HydrophobicContact CB-CE2 3.67Å; A270-F272 HydrophobicContact CB-CG 4.13Å; A270-F272 HydrophobicContact CB-CZ 3.1Å; A270-F272 PolarHBondContact O-N 3.17Å |
| 271 | P | 78.1 | Confident | 64.1 | Low | 143 Ų | 143 | 117.4 Ų | 117.4 | 93% | 0.929 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -78.1 | 36.6 | -174.1 | 34.9 | -37.4 | 0 | 0 | 0 | 112.3 | | |
| 272 | F | 75.4 | Confident | 63.6 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -107.9 | 148 | 168.7 | 35.6 | -102.9 | 0 | 0 | 0 | 109.7 | F267 A270 S274 | F267-F272 HydrophobicContact CB-CE2 3.89Å; F267-F272 HydrophobicContact CB-CZ 4.2Å; F267-F272 AromaticContact CD1-CE2 3.93Å; F267-F272 HydrophobicContact CD1-CE2 3.93Å; F267-F272 AromaticContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CE1-CZ 4.47Å; F267-F272 HydrophobicContact CG-CE2 4.42Å; F267-F272 HydrophobicContact CG-CZ 4.34Å; F267-F272 WeakPolarHBondContact O-CE2 3.4Å; A270-F272 HydrophobicContact CB-CD1 3.6Å; A270-F272 HydrophobicContact CB-CD2 4.15Å; A270-F272 HydrophobicContact CB-CE1 3.06Å; A270-F272 HydrophobicContact CB-CE2 3.67Å; A270-F272 HydrophobicContact CB-CG 4.13Å; A270-F272 HydrophobicContact CB-CZ 3.1Å; A270-F272 PolarHBondContact O-N 3.17Å; F272-S274 PolarHBondContact O-N 3.02Å; F272-S274 PolarHBondContact O-OG 3.23Å |
| 273 | V | 64.3 | Low | 63.5 | Low | 146 Ų | 146 | 119 Ų | 119 | 89% | 0.885 | 67% | 0.673 | S | S | * | * | | | trans | -72.6 | 91.4 | -174.4 | -145.7 | 0 | 0 | 0 | 0 | 108.9 | K275 | V273-K275 PolarHBondContact O-N 3.17Š|
| 274 | S | 64.7 | Low | 63.3 | Low | 64 Ų | 64 | 120 Ų | 120 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | | | trans | -70.5 | 101 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | F267 F272 S276 | F267-S274 PolarHBondContact O-OG 3.18Å; F272-S274 PolarHBondContact O-N 3.02Å; F272-S274 PolarHBondContact O-OG 3.23Å; S274-S276 VanDerWaalsContact C-N 3.32Å; S274-S276 PolarHBondContact O-N 3.05Å |
| 275 | K | 64.8 | Low | 63 | Low | 205 Ų | 205 | 124.3 Ų | 124.3 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | | | trans | -65 | 96.2 | 165.9 | -81.6 | -179.4 | 177.4 | 174.7 | 0 | 107.4 | V273 S277 | V273-K275 PolarHBondContact O-N 3.17Å; K275-S277 PolarHBondContact O-N 3.46Å; K275-S277 VanDerWaalsContact O-N 3.15Å |
| 276 | S | 52.8 | Low | 62.6 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | | | trans | -50.7 | 119.6 | 168.4 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | S274 M278 | S274-S276 VanDerWaalsContact C-N 3.32Å; S274-S276 PolarHBondContact O-N 3.05Å; S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3.35Å |
| 277 | S | 53.7 | Low | 62.6 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | | | trans | -67.2 | 92 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | K275 | K275-S277 PolarHBondContact O-N 3.46Å; K275-S277 VanDerWaalsContact O-N 3.15Å |
| 278 | M | 54 | Low | 63 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 94% | 0.936 | 68% | 0.676 | S | S | * | * | | | trans | -123.9 | 86.2 | 146.6 | -90.8 | -175.6 | 72.1 | 0 | 0 | 105.9 | S276 | S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3.35Å |
| 279 | A | 40.2 | Very low | 62.8 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | | | trans | -134.6 | 144.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 280 | P | 39.8 | Very low | 62.9 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | | | trans | -57.8 | 144.2 | -167.1 | 26.2 | -34.8 | 0 | 0 | 0 | 110.7 | Q282 | P280-Q282 PolarHBondContact O-N 2.97Š|
| 281 | S | 50.9 | Low | 62.4 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | | | trans | -43.1 | 104.5 | 174 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 282 | Q | 45.4 | Very low | 62.4 | Low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | | | trans | -61.3 | 140.2 | 167.4 | -76.5 | -71.7 | -65.9 | 0 | 0 | 107.4 | P280 E284 | P280-Q282 PolarHBondContact O-N 2.97Å; Q282-E284 PolarHBondContact O-N 3.15Å |
| 283 | P | 55.1 | Low | 62.5 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | | | trans | -58.3 | 121 | 170.1 | 25.4 | -29.3 | 0 | 0 | 0 | 106.7 | E285 | P283-E285 PolarHBondContact O-N 3.05Å; P283-E285 VanDerWaalsContact O-N 3.16Å |
| 284 | E | 60.7 | Low | 62.6 | Low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | | | trans | -26.5 | 117.5 | 167.2 | -176.9 | -177.7 | 147 | 0 | 0 | 110 | Q282 S286 | Q282-E284 PolarHBondContact O-N 3.15Å; E284-S286 PolarHBondContact O-N 2.58Å |
| 285 | E | 66.7 | Low | 62.6 | Low | 189 Ų | 189 | 126.9 Ų | 126.9 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | | | trans | -64.1 | 84.2 | 173.5 | -62.7 | -174.1 | 176.1 | 0 | 0 | 107 | P283 D287 | P283-E285 PolarHBondContact O-N 3.05Å; P283-E285 VanDerWaalsContact O-N 3.16Å; E285-D287 PolarHBondContact O-N 3.22Å; E285-D287 VanDerWaalsContact O-N 3.17Å |
| 286 | S | 68.1 | Low | 62.6 | Low | 54 Ų | 54 | 127.2 Ų | 127.2 | 38% | 0.378 | 69% | 0.688 | S | S | . | * | | | trans | -53.4 | 127 | -176.1 | 60 | 0 | 0 | 0 | 0 | 107.7 | E284 V288 | E284-S286 PolarHBondContact O-N 2.58Å; S286-V288 PolarHBondContact O-N 3.15Å |
| 287 | D | 79.9 | Confident | 63.5 | Low | 83 Ų | 83 | 130 Ų | 130 | 44% | 0.444 | 69% | 0.686 | S | S | . | * | | | trans | -30.4 | 125.5 | -174.7 | -177.4 | 2.8 | 0 | 0 | 0 | 112 | E285 F289 L290 R291 | E285-D287 PolarHBondContact O-N 3.22Å; E285-D287 VanDerWaalsContact O-N 3.17Å; D287-F289 PolarHBondContact O-N 3.24Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.42Å; D287-F289 PolarHBondContact OD1-N 3.2Å; D287-F289 VanDerWaalsContact OD1-N 3.13Å; D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.23Å; D287-L290 WeakPolarHBondContact O-CA 3.19Å; D287-L290 WeakPolarHBondContact O-CB 3.44Å; D287-L290 PolarHBondContact O-N 2.84Å; D287-R291 PolarHBondContact O-N 2.97Å |
| 288 | V | 80.8 | Confident | 63.9 | Low | 110 Ų | 110 | 134.8 Ų | 134.8 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -53.3 | -27.9 | -178.4 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | S286 L290 R291 A292 | S286-V288 PolarHBondContact O-N 3.15Å; V288-L290 PolarHBondContact O-N 2.98Å; V288-R291 PolarHBondContact O-N 3.07Å; V288-A292 PolarHBondContact O-N 3.29Å |
| 289 | F | 71.6 | Confident | 63.9 | Low | 159 Ų | 159 | 130.7 Ų | 130.7 | 70% | 0.697 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.5 | -28.4 | 174.2 | -64.1 | -69.9 | 0 | 0 | 0 | 114.1 | D287 T295 | D287-F289 PolarHBondContact O-N 3.24Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.42Å; D287-F289 PolarHBondContact OD1-N 3.2Å; D287-F289 VanDerWaalsContact OD1-N 3.13Å; F289-T295 WeakPolarHBondContact O-CG2 3.48Å |
| 290 | L | 72.5 | Confident | 64 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.2 | -34.2 | 171.1 | -63.9 | 174.1 | 0 | 0 | 0 | 112.1 | D287 V288 A292 | D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.23Å; D287-L290 WeakPolarHBondContact O-CA 3.19Å; D287-L290 WeakPolarHBondContact O-CB 3.44Å; D287-L290 PolarHBondContact O-N 2.84Å; V288-L290 PolarHBondContact O-N 2.98Å; L290-A292 VanDerWaalsContact C-N 3.34Å |
| 291 | R | 70.4 | Confident | 64.6 | Low | 204 Ų | 204 | 137.5 Ų | 137.5 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75.1 | -21.8 | 173.8 | -87.1 | -179.5 | 67.6 | -165.1 | 1.6 | 113.6 | D287 V288 | D287-R291 PolarHBondContact O-N 2.97Å; V288-R291 PolarHBondContact O-N 3.07Å |
| 292 | A | 77.9 | Confident | 64.4 | Low | 21 Ų | 21 | 141 Ų | 141 | 17% | 0.174 | 70% | 0.697 | C | S | . | * | S | Bend | trans | -67.9 | 140.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V288 L290 F294 | V288-A292 PolarHBondContact O-N 3.29Å; L290-A292 VanDerWaalsContact C-N 3.34Å; A292-F294 HydrophobicContact CB-CD2 3.52Å; A292-F294 HydrophobicContact CB-CE2 3.87Å; A292-F294 PolarHBondContact O-N 3.13Å |
| 293 | P | 77.4 | Confident | 64.5 | Low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 11.4 | -172.7 | 29.4 | -36.1 | 0 | 0 | 0 | 114.3 | | |
| 294 | F | 67.3 | Low | 63.6 | Low | 175 Ų | 175 | 140.3 Ų | 140.3 | 77% | 0.768 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -3.6 | -174.1 | -44.5 | -66.5 | 0 | 0 | 0 | 113.3 | A292 K296 | A292-F294 HydrophobicContact CB-CD2 3.52Å; A292-F294 HydrophobicContact CB-CE2 3.87Å; A292-F294 PolarHBondContact O-N 3.13Å; F294-K296 PolarHBondContact O-N 3.14Å |
| 295 | T | 64.3 | Low | 62.3 | Low | 70 Ų | 70 | 137.9 Ų | 137.9 | 43% | 0.429 | 69% | 0.694 | S | S | . | * | | | trans | -81.5 | 56.8 | -176.5 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | F289 K297 | F289-T295 WeakPolarHBondContact O-CG2 3.48Å; T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact O-N 3.17Å |
| 296 | K | 64.8 | Low | 60.9 | Low | 212 Ų | 212 | 137.1 Ų | 137.1 | 92% | 0.922 | 69% | 0.693 | S | S | * | * | | | trans | -85.1 | 79.4 | 165.4 | -136.2 | -173.5 | -173 | 179.9 | 0 | 109.4 | F294 | F294-K296 PolarHBondContact O-N 3.14Š|
| 297 | K | 71.8 | Confident | 59.6 | Low | 169 Ų | 169 | 142.8 Ų | 142.8 | 74% | 0.735 | 71% | 0.714 | S | S | * | * | | | trans | -132.3 | 119.6 | 162.6 | 49.9 | 176.5 | 161 | 173.5 | 0 | 111.4 | T295 S299 | T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact O-N 3.17Å; K297-S299 PolarHBondContact O-N 2.94Å |
| 298 | K | 61.8 | Low | 57.3 | Low | 215 Ų | 215 | 144.5 Ų | 144.5 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | | | trans | -74.6 | 89.9 | 163.6 | 42 | 158.5 | -177.4 | 178.6 | 0 | 108.2 | | |
| 299 | S | 54.5 | Low | 54.8 | Low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -87.3 | 114.1 | 167.7 | 58 | 0 | 0 | 0 | 0 | 109.1 | K297 | K297-S299 PolarHBondContact O-N 2.94Š|
| 300 | M | 41.9 | Very low | 53 | Low | 169 Ų | 169 | 143.4 Ų | 143.4 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | | | trans | -66.4 | 141.1 | 161 | 179.1 | 143.5 | 62.2 | 0 | 0 | 108.5 | | |
| 301 | E | 52.1 | Low | 51.1 | Low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 12.9 | 113.6 | 166.5 | -116.2 | 99.1 | 166.4 | 0 | 0 | 117.8 | | |
| 302 | E | 48.3 | Very low | 49.1 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | | -151.6 | 111.6 | 121 | -157.7 | 175.9 | 154.4 | 0 | 0 | 109.8 | | |
| 303 | L | 46.3 | Very low | 46.8 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | -62.9 | 141.9 | 168.5 | -68.7 | 154.3 | 0 | 0 | 0 | 108.1 | | |
| 304 | T | 35.6 | Very low | 45.2 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | | -172.6 | 131.3 | 85.8 | 28.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 305 | V | 34.6 | Very low | 43.4 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | 68.9 | 101.1 | 136.8 | -175.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 306 | I | 37.6 | Very low | 42.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | | -143 | 131.2 | 96 | -81.4 | 151.4 | 0 | 0 | 0 | 108.9 | | |
| 307 | Q | 40.4 | Very low | 40.7 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -69.7 | 129.3 | -176.9 | 169.6 | -179.2 | -16.2 | 0 | 0 | 112.5 | | |
| 308 | C | 31.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -162.9 | 101.6 | 149.1 | -104.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 309 | T | 28.7 | Very low | 38 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | 47 | 107.5 | 151.5 | 62.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 310 | S | 34 | Very low | 37.4 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -50.7 | 133.2 | 150.4 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 311 | Q | 30.8 | Very low | 37.1 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | -139.4 | 109.2 | 136.8 | -166 | -176 | 70.4 | 0 | 0 | 109.7 | | |
| 312 | E | 29.7 | Very low | 36.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -53.3 | 139 | 164.8 | 172.8 | -176.3 | 132.1 | 0 | 0 | 113.7 | | |
| 313 | L | 30.1 | Very low | 36 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | -170.1 | 132.9 | 123.5 | -99.9 | 175.3 | 0 | 0 | 0 | 111.4 | | |
| 314 | P | 42.9 | Very low | 35.6 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -100.6 | 117.9 | 175.1 | 34.5 | -24.4 | 0 | 0 | 0 | 110.9 | | |
| 315 | A | 29.8 | Very low | 35.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -164.6 | 105 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 316 | Q | 38.2 | Very low | 36.2 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | | 172 | 135 | 91.1 | -77.1 | -148.8 | 2.2 | 0 | 0 | 111.2 | | |
| 317 | T | 34.7 | Very low | 36.8 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -47.2 | 138.8 | 163.7 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 318 | G | 33.5 | Very low | 37.1 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -163.8 | 71.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L320 | G318-L320 PolarHBondContact O-N 2.83Š|
| 319 | L | 43.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -60.6 | 122.5 | 161.2 | -80.2 | 165.4 | 0 | 0 | 0 | 109 | | |
| 320 | L | 40.3 | Very low | 38.7 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | trans | -152.9 | 94.2 | 144.6 | -159.6 | 67.8 | 0 | 0 | 0 | 110.8 | G318 Q322 | G318-L320 PolarHBondContact O-N 2.83Å; L320-Q322 HydrophobicContact CD2-CG 4.39Å; L320-Q322 HydrophobicContact CG-CG 4.28Å |
| 321 | S | 36.3 | Very low | 39.1 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -57.8 | 129.1 | 153.6 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 322 | Q | 42.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -130.7 | 98 | 152.4 | -77.4 | -161.6 | 55.1 | 0 | 0 | 109.5 | L320 | L320-Q322 HydrophobicContact CD2-CG 4.39Å; L320-Q322 HydrophobicContact CG-CG 4.28Å |
| 323 | T | 35.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -53.3 | 145.4 | 155.4 | 36.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 324 | G | 36.7 | Very low | 41.4 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 165.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 325 | D | 35.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -161.4 | 134.1 | 144.7 | -159.4 | 8.4 | 0 | 0 | 0 | 109.3 | | |
| 326 | V | 49 | Very low | 42.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -121.6 | 128.4 | 163.4 | 160.5 | 0 | 0 | 0 | 0 | 105 | | |
| 327 | P | 48.8 | Very low | 43.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | -144.1 | 122.8 | 134.1 | 25.6 | -4.6 | 0 | 0 | 0 | 115.5 | | |
| 328 | L | 48.3 | Very low | 43.9 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | | 69.6 | 166.9 | 123 | -99.3 | 155 | 0 | 0 | 0 | 119.9 | | |
| 329 | P | 53.5 | Low | 44.9 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | | -111.9 | 164.5 | -108.5 | 41.5 | -27.8 | 0 | 0 | 0 | 114 | | |
| 330 | A | 40.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -118.8 | 120.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 331 | G | 40.9 | Very low | 45.2 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -83.6 | -163.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 332 | R | 40.9 | Very low | 45.6 | Very low | 225 Ų | 225 | 140.7 Ų | 140.7 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | | | trans | 85.5 | 129.7 | -177 | -85 | -179.9 | 101.5 | 165 | 5.4 | 114 | | |
| 333 | E | 46.5 | Very low | 45.8 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | | | cis | -146.4 | 158.1 | 19.7 | -74.6 | -146.5 | 143.3 | 0 | 0 | 113.7 | | |
| 334 | R | 51.4 | Low | 46.5 | Very low | 239 Ų | 239 | 139.6 Ų | 139.6 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -56.5 | 135.8 | 160.4 | -99.7 | 175.3 | 164.8 | 162.6 | -4.3 | 110.8 | | |
| 335 | A | 50.6 | Low | 47.2 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -126.8 | 138.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 336 | V | 54.1 | Low | 48 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | | | trans | -100.3 | 163.2 | -168.8 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 337 | Y | 43.3 | Very low | 47.9 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | | | trans | 84 | 136.7 | 160.9 | -73.3 | -74.5 | 0 | 0 | 0 | 115.6 | | |
| 338 | T | 51.4 | Low | 47.9 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 72% | 0.718 | 83% | 0.827 | S | S | * | * | | | cis | -149.4 | 138.4 | 27.7 | 50 | 0 | 0 | 0 | 0 | 110.7 | | |
| 339 | S | 53 | Low | 47.8 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 100% | 1.322 | 83% | 0.828 | S | S | * | * | | | | 75.6 | 0 | 115.5 | -54.9 | 0 | 0 | 0 | 0 | 116.1 | | |