| 1 | M | 47.3 | Very low | 52.7 | Low | 231 Ų | 231 | 154.6 Ų | 154.6 | 100% | 1.138 | 83% | 0.829 | S | S | * | * | | | | 0 | 98.2 | 0 | -158.1 | 107.3 | 103.8 | 0 | 0 | 106.5 | | |
| 2 | W | 46.4 | Very low | 53.2 | Low | 258 Ų | 258 | 151.3 Ų | 151.3 | 98% | 0.977 | 82% | 0.818 | S | S | * | * | | | trans | -81 | 118.2 | -179.2 | -77.9 | 85 | 0 | 0 | 0 | 108.5 | H4 | W2-H4 PolarHBondContact O-N 2.79Š|
| 3 | C | 57.8 | Low | 53.3 | Low | 127 Ų | 127 | 156.6 Ų | 156.6 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | | | trans | -71.8 | 110.1 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | G5 | C3-G5 PolarHBondContact O-N 3Š|
| 4 | H | 51.2 | Low | 53.8 | Low | 198 Ų | 198 | 150.1 Ų | 150.1 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | -75.9 | 111.7 | 167.6 | -155.4 | 109.2 | 0 | 0 | 0 | 107 | W2 | W2-H4 PolarHBondContact O-N 2.79Š|
| 5 | G | 51 | Low | 54.5 | Low | 65 Ų | 65 | 146.1 Ų | 146.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | trans | -160.4 | 89 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C3 | C3-G5 PolarHBondContact O-N 3Š|
| 6 | N | 47 | Very low | 54.6 | Low | 145 Ų | 145 | 149.7 Ų | 149.7 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | 47.4 | 107.5 | 148.7 | -73.4 | -13.3 | 0 | 0 | 0 | 119.3 | | |
| 7 | S | 56.4 | Low | 54.9 | Low | 94 Ų | 94 | 150.2 Ų | 150.2 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | | | trans | -154.2 | 73.4 | 131.6 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | H9 | S7-H9 PolarHBondContact O-CD2 3.28Å; S7-H9 PolarHBondContact O-N 3.13Å; S7-H9 VanDerWaalsContact O-N 3.12Å |
| 8 | D | 54.7 | Low | 55.1 | Low | 144 Ų | 144 | 148.6 Ų | 148.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -62.6 | 111.7 | 164 | -67.5 | -51.7 | 0 | 0 | 0 | 107.4 | S10 | D8-S10 PolarHBondContact O-N 2.72Š|
| 9 | H | 57.9 | Low | 55.4 | Low | 181 Ų | 181 | 147.3 Ų | 147.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -68.7 | 73.9 | 177.2 | -70.1 | -170.2 | 0 | 0 | 0 | 109.8 | S7 L11 | S7-H9 PolarHBondContact O-CD2 3.28Å; S7-H9 PolarHBondContact O-N 3.13Å; S7-H9 VanDerWaalsContact O-N 3.12Å; H9-L11 PolarHBondContact O-N 3.2Å |
| 10 | S | 51 | Low | 55.3 | Low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | | | trans | -86.2 | 89.4 | 166.4 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | D8 | D8-S10 PolarHBondContact O-N 2.72Š|
| 11 | L | 59.5 | Low | 55.5 | Low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -141.7 | 79.4 | 152.7 | -76.2 | -175.1 | 0 | 0 | 0 | 109 | H9 Y13 | H9-L11 PolarHBondContact O-N 3.2Å; L11-Y13 PolarHBondContact O-N 2.96Å |
| 12 | V | 57.7 | Low | 55.9 | Low | 114 Ų | 114 | 142.5 Ų | 142.5 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | | 38.8 | 76.9 | 127.3 | -168.5 | 0 | 0 | 0 | 0 | 114 | A14 | V12-A14 HydrophobicContact CG1-CB 3.51Å; V12-A14 PolarHBondContact O-N 3.44Å |
| 13 | Y | 54.8 | Low | 56.7 | Low | 221 Ų | 221 | 135.6 Ų | 135.6 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -77.2 | 67.9 | 154 | -161.2 | -94.6 | 0 | 0 | 0 | 107.6 | L11 P15 | L11-Y13 PolarHBondContact O-N 2.96Å; Y13-P15 WeakPolarHBondContact O-CD 2.98Å |
| 14 | A | 60.2 | Low | 56.8 | Low | 65 Ų | 65 | 134 Ų | 134 | 54% | 0.537 | 76% | 0.763 | S | S | . | * | | | trans | -89 | 99.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | V12 F16 | V12-A14 HydrophobicContact CG1-CB 3.51Å; V12-A14 PolarHBondContact O-N 3.44Å; A14-F16 PolarHBondContact O-N 3.38Å; A14-F16 VanDerWaalsContact O-N 3.09Å |
| 15 | P | 64.9 | Low | 57.4 | Low | 91 Ų | 91 | 130.2 Ų | 130.2 | 59% | 0.591 | 76% | 0.758 | S | S | * | * | | | trans | -61.1 | 119.5 | 173.7 | 25.4 | -32.4 | 0 | 0 | 0 | 107.5 | Y13 L17 | Y13-P15 WeakPolarHBondContact O-CD 2.98Å; P15-L17 PolarHBondContact O-N 2.76Å |
| 16 | F | 56.3 | Low | 57.8 | Low | 203 Ų | 203 | 131.9 Ų | 131.9 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | -36.7 | 102.1 | 172.3 | -72.9 | -98.5 | 0 | 0 | 0 | 110.3 | A14 P18 | A14-F16 PolarHBondContact O-N 3.38Å; A14-F16 VanDerWaalsContact O-N 3.09Å; F16-P18 VanDerWaalsContact O-CD 3.26Å; F16-P18 WeakPolarHBondContact O-CD 3.45Å |
| 17 | L | 58.6 | Low | 58.2 | Low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -65.1 | 116.5 | 164.9 | -80.9 | 123.2 | 0 | 0 | 0 | 105.4 | P15 S19 | P15-L17 PolarHBondContact O-N 2.76Å; L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 2.89Å |
| 18 | P | 59.6 | Low | 58.4 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -63.9 | 101.6 | 177.2 | -5.2 | 17.6 | 0 | 0 | 0 | 107 | F16 G20 | F16-P18 VanDerWaalsContact O-CD 3.26Å; F16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-G20 PolarHBondContact O-N 3.2Å |
| 19 | S | 60.6 | Low | 58.5 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 29.9 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | L17 | L17-S19 VanDerWaalsContact C-N 3.34Å; L17-S19 PolarHBondContact O-N 2.89Å |
| 20 | G | 52.8 | Low | 58.6 | Low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 5.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | P18 | P18-G20 PolarHBondContact O-N 3.2Š|
| 21 | C | 59.6 | Low | 59.1 | Low | 124 Ų | 124 | 133.1 Ų | 133.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -114.9 | 39.6 | 176.9 | -161 | 0 | 0 | 0 | 0 | 112.8 | | |
| 22 | W | 56.9 | Low | 59.2 | Low | 232 Ų | 232 | 135.1 Ų | 135.1 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | | | trans | -106.3 | 94.7 | 160.2 | -64 | 84.5 | 0 | 0 | 0 | 106.5 | P24 | W22-P24 WeakPolarHBondContact O-CD 3.13Š|
| 23 | S | 62.1 | Low | 59.2 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -98.7 | 87.6 | 153.3 | -177.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 24 | P | 60.3 | Low | 59.3 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -73.8 | 143.7 | 159.5 | 34.4 | -29.6 | 0 | 0 | 0 | 106.7 | W22 | W22-P24 WeakPolarHBondContact O-CD 3.13Š|
| 25 | C | 63.8 | Low | 59.4 | Low | 118 Ų | 118 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 86.4 | 96.3 | 170.9 | -47.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 26 | A | 58.3 | Low | 59.5 | Low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | | -138.4 | 137.5 | 116.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 27 | P | 55.8 | Low | 59.9 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 58% | 0.584 | 76% | 0.757 | S | S | * | * | | | trans | -114.5 | 145.9 | -146.7 | 27.5 | -8.9 | 0 | 0 | 0 | 112.4 | V29 | P27-V29 WeakPolarHBondContact O-CG2 3.08Å; P27-V29 PolarHBondContact O-N 2.84Å |
| 28 | L | 60.8 | Low | 60.3 | Low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 54.8 | 11.6 | 145.8 | -68 | 159.5 | 0 | 0 | 0 | 119.1 | W30 N31 | L28-W30 PolarHBondContact O-N 2.81Å; L28-N31 PolarHBondContact O-ND2 2.94Å |
| 29 | V | 56.7 | Low | 59.9 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 6 | 178.6 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | P27 | P27-V29 WeakPolarHBondContact O-CG2 3.08Å; P27-V29 PolarHBondContact O-N 2.84Å |
| 30 | W | 59.4 | Low | 59.7 | Low | 193 Ų | 193 | 124.3 Ų | 124.3 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -1.1 | 178 | -165.1 | -108.8 | 0 | 0 | 0 | 115.2 | L28 F34 | L28-W30 PolarHBondContact O-N 2.81Å; W30-F34 HydrophobicContact CD2-CE2 4.26Å; W30-F34 AromaticContact CE2-CE2 3.49Å; W30-F34 VanDerWaalsContact CE2-CE2 3.49Å; W30-F34 AromaticContact CH2-CE2 3.94Å; W30-F34 HydrophobicContact CH2-CE2 3.94Å; W30-F34 AromaticContact CH2-CZ 3.67Å; W30-F34 HydrophobicContact CH2-CZ 3.67Å; W30-F34 AromaticContact CZ2-CE2 3.33Å; W30-F34 HydrophobicContact CZ2-CE2 3.33Å; W30-F34 AromaticContact CZ2-CZ 3.32Å; W30-F34 HydrophobicContact CZ2-CZ 3.32Å; W30-F34 AromaticContact NE1-CE2 3.74Å |
| 31 | N | 62.9 | Low | 60 | Low | 118 Ų | 118 | 128.6 Ų | 128.6 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -114.3 | 7.4 | -162.5 | -12.6 | -50.8 | 0 | 0 | 0 | 116.3 | L28 | L28-N31 PolarHBondContact O-ND2 2.94Š|
| 32 | Q | 61.8 | Low | 59.8 | Low | 204 Ų | 204 | 127.7 Ų | 127.7 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -118.2 | 17.1 | -176.1 | -144 | 168.1 | 33.2 | 0 | 0 | 115.1 | | |
| 33 | G | 56.4 | Low | 59.8 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | | | trans | -133.3 | 2.2 | -169 | 0 | 0 | 0 | 0 | 0 | 117.8 | P35 | G33-P35 WeakPolarHBondContact O-CD 3.26Š|
| 34 | F | 58.7 | Low | 59.6 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | | | trans | -100.7 | 91.6 | 173.4 | -68.1 | -72.3 | 0 | 0 | 0 | 110 | W30 T36 | W30-F34 HydrophobicContact CD2-CE2 4.26Å; W30-F34 AromaticContact CE2-CE2 3.49Å; W30-F34 VanDerWaalsContact CE2-CE2 3.49Å; W30-F34 AromaticContact CH2-CE2 3.94Å; W30-F34 HydrophobicContact CH2-CE2 3.94Å; W30-F34 AromaticContact CH2-CZ 3.67Å; W30-F34 HydrophobicContact CH2-CZ 3.67Å; W30-F34 AromaticContact CZ2-CE2 3.33Å; W30-F34 HydrophobicContact CZ2-CE2 3.33Å; W30-F34 AromaticContact CZ2-CZ 3.32Å; W30-F34 HydrophobicContact CZ2-CZ 3.32Å; W30-F34 AromaticContact NE1-CE2 3.74Å; F34-T36 PolarHBondContact O-N 3.31Å; F34-T36 VanDerWaalsContact O-N 3.13Å |
| 35 | P | 60.4 | Low | 59.5 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -63.6 | 117.1 | 165.6 | 28.4 | -31.5 | 0 | 0 | 0 | 106.8 | G33 | G33-P35 WeakPolarHBondContact O-CD 3.26Š|
| 36 | T | 67.3 | Low | 59.3 | Low | 112 Ų | 112 | 121 Ų | 121 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -35.1 | 121.7 | 167 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | F34 L38 | F34-T36 PolarHBondContact O-N 3.31Å; F34-T36 VanDerWaalsContact O-N 3.13Å; T36-L38 PolarHBondContact O-N 3.18Å |
| 37 | P | 66.1 | Low | 59.2 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | | | trans | -66.2 | 93.6 | 169.7 | 25.5 | -30.5 | 0 | 0 | 0 | 107.5 | G39 | P37-G39 PolarHBondContact O-N 2.78Š|
| 38 | L | 67.1 | Low | 59.3 | Low | 167 Ų | 167 | 122.2 Ų | 122.2 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | -66.8 | 97.4 | 179 | -170.3 | 75.7 | 0 | 0 | 0 | 108.4 | T36 | T36-L38 PolarHBondContact O-N 3.18Š|
| 39 | G | 51.1 | Low | 59.3 | Low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 91.3 | 127.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P37 | P37-G39 PolarHBondContact O-N 2.78Š|
| 40 | G | 55.8 | Low | 59.3 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 142.7 | -20.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 41 | L | 58.1 | Low | 59.3 | Low | 160 Ų | 160 | 118 Ų | 118 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | | | trans | -152.2 | 49.8 | -177.8 | -134.1 | 139.6 | 0 | 0 | 0 | 113.4 | V43 | L41-V43 PolarHBondContact O-N 3.25Š|
| 42 | A | 55.2 | Low | 59.1 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | trans | -85.8 | 19.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S44 | A42-S44 VanDerWaalsContact C-N 3.26Å; A42-S44 PolarHBondContact O-N 3.38Å |
| 43 | V | 57.4 | Low | 59.1 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 62% | 0.624 | 71% | 0.711 | S | S | * | * | | | trans | -83.4 | 77.5 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | L41 T45 | L41-V43 PolarHBondContact O-N 3.25Å; V43-T45 PolarHBondContact O-N 3.34Å; V43-T45 PolarHBondContact O-OG1 3.47Å |
| 44 | S | 58.6 | Low | 59.2 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | | 35.6 | 40.8 | 125.9 | 64.7 | 0 | 0 | 0 | 0 | 118.5 | A42 N46 | A42-S44 VanDerWaalsContact C-N 3.26Å; A42-S44 PolarHBondContact O-N 3.38Å; S44-N46 PolarHBondContact O-N 2.86Å |
| 45 | T | 58.1 | Low | 58.9 | Low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | -82.4 | 71.5 | 165.4 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | V43 | V43-T45 PolarHBondContact O-N 3.34Å; V43-T45 PolarHBondContact O-OG1 3.47Å |
| 46 | N | 58.7 | Low | 58.9 | Low | 94 Ų | 94 | 122.2 Ų | 122.2 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | | | trans | 29 | 86 | 155.1 | -61.3 | -66.8 | 0 | 0 | 0 | 115.6 | S44 I48 K49 | S44-N46 PolarHBondContact O-N 2.86Å; N46-I48 PolarHBondContact O-N 2.84Å; N46-K49 PolarHBondContact O-N 3.09Å |
| 47 | P | 57.2 | Low | 58.7 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 59% | 0.591 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -57.4 | -13.4 | 167.1 | 23.7 | -32.2 | 0 | 0 | 0 | 112.2 | K49 S50 L51 | P47-K49 VanDerWaalsContact C-N 3.27Å; P47-K49 PolarHBondContact O-N 2.77Å; P47-S50 PolarHBondContact O-N 3.27Å; P47-S50 PolarHBondContact O-OG 3.42Å; P47-L51 WeakPolarHBondContact O-CB 3.32Å; P47-L51 PolarHBondContact O-N 3.39Å |
| 48 | I | 58 | Low | 58.6 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 65% | 0.651 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -51.8 | -41 | 173.5 | -64.1 | 163.2 | 0 | 0 | 0 | 112.4 | N46 N52 | N46-I48 PolarHBondContact O-N 2.84Å; I48-N52 PolarHBondContact O-N 3.26Å |
| 49 | K | 60.2 | Low | 58.2 | Low | 181 Ų | 181 | 117 Ų | 117 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78 | -28.7 | -178.8 | -72.6 | -172.3 | 179.4 | 179.9 | 0 | 113.1 | N46 P47 | N46-K49 PolarHBondContact O-N 3.09Å; P47-K49 VanDerWaalsContact C-N 3.27Å; P47-K49 PolarHBondContact O-N 2.77Å |
| 50 | S | 57.1 | Low | 58.5 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 59% | 0.587 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.7 | -28.6 | 177.1 | 69.7 | 0 | 0 | 0 | 0 | 112.9 | P47 | P47-S50 PolarHBondContact O-N 3.27Å; P47-S50 PolarHBondContact O-OG 3.42Å |
| 51 | L | 60 | Low | 58.8 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81 | -27.9 | -175.9 | -158.4 | 80.7 | 0 | 0 | 0 | 112.5 | P47 I53 R54 | P47-L51 WeakPolarHBondContact O-CB 3.32Å; P47-L51 PolarHBondContact O-N 3.39Å; L51-I53 VanDerWaalsContact C-N 3.26Å; L51-I53 PolarHBondContact O-N 3.45Å; L51-R54 PolarHBondContact O-N 3.46Å |
| 52 | N | 57.1 | Low | 59 | Low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -27.6 | 179.2 | -164.6 | 26.1 | 0 | 0 | 0 | 112.9 | I48 | I48-N52 PolarHBondContact O-N 3.26Š|
| 53 | I | 61.7 | Low | 59.2 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -26 | -178 | -52.7 | -179.7 | 0 | 0 | 0 | 111.5 | L51 | L51-I53 VanDerWaalsContact C-N 3.26Å; L51-I53 PolarHBondContact O-N 3.45Å |
| 54 | R | 60.3 | Low | 59.3 | Low | 200 Ų | 200 | 133 Ų | 133 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -109.8 | 68.1 | -172.5 | -117.1 | -171.3 | -160.7 | -174.8 | 7.3 | 113.1 | L51 | L51-R54 PolarHBondContact O-N 3.46Š|
| 55 | F | 50.9 | Low | 59.3 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | | | trans | 80.5 | 85.4 | 161 | -60.1 | -88.2 | 0 | 0 | 0 | 115.3 | S57 | F55-S57 PolarHBondContact O-N 3.47Š|
| 56 | S | 60.3 | Low | 59.4 | Low | 69 Ų | 69 | 138.2 Ų | 138.2 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | | | | -53.9 | 44.6 | 128 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | S58 H59 F60 | S56-S58 PolarHBondContact O-N 3.24Å; S56-H59 PolarHBondContact O-N 3.5Å; S56-H59 VanDerWaalsContact OG-CB 3.32Å; S56-H59 WeakPolarHBondContact OG-CB 3.38Å; S56-H59 PolarHBondContact OG-ND1 3.24Å; S56-F60 PolarHBondContact O-N 3Å |
| 57 | S | 64.1 | Low | 59.5 | Low | 58 Ų | 58 | 142.2 Ų | 142.2 | 41% | 0.406 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -28 | -179.6 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | F55 H59 F60 R61 | F55-S57 PolarHBondContact O-N 3.47Å; S57-H59 PolarHBondContact O-N 3.36Å; S57-F60 PolarHBondContact O-N 3.28Å; S57-R61 WeakPolarHBondContact O-CG 3.1Å; S57-R61 PolarHBondContact O-N 3.15Å |
| 58 | S | 63.2 | Low | 59.8 | Low | 85 Ų | 85 | 146.1 Ų | 146.1 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -37.6 | 176.8 | 61 | 0 | 0 | 0 | 0 | 112.8 | S56 F60 R61 | S56-S58 PolarHBondContact O-N 3.24Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 2.93Å; S58-R61 PolarHBondContact O-N 3.02Å |
| 59 | H | 59.2 | Low | 60.3 | Low | 152 Ų | 152 | 149 Ų | 149 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -74.1 | -23.6 | 176.9 | -55.9 | 95.4 | 0 | 0 | 0 | 112.1 | S56 S57 R61 | S56-H59 PolarHBondContact O-N 3.5Å; S56-H59 VanDerWaalsContact OG-CB 3.32Å; S56-H59 WeakPolarHBondContact OG-CB 3.38Å; S56-H59 PolarHBondContact OG-ND1 3.24Å; S57-H59 PolarHBondContact O-N 3.36Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.33Å |
| 60 | F | 56.5 | Low | 60.8 | Low | 148 Ų | 148 | 144.7 Ų | 144.7 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -87.1 | 8.9 | 176.9 | -156.6 | -103.3 | 0 | 0 | 0 | 114.2 | S56 S57 S58 | S56-F60 PolarHBondContact O-N 3Å; S57-F60 PolarHBondContact O-N 3.28Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 2.93Å |
| 61 | R | 62.2 | Low | 61.4 | Low | 201 Ų | 201 | 145.1 Ų | 145.1 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -88.9 | 5 | 179 | -74.1 | -61.5 | -179.8 | -171.1 | 0.2 | 115.7 | S57 S58 H59 | S57-R61 WeakPolarHBondContact O-CG 3.1Å; S57-R61 PolarHBondContact O-N 3.15Å; S58-R61 PolarHBondContact O-N 3.02Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.33Å |
| 62 | K | 62.5 | Low | 62.2 | Low | 195 Ų | 195 | 142.2 Ų | 142.2 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -104.8 | -3.5 | -173.8 | -75.2 | -172.7 | 176.3 | -178.8 | 0 | 117.4 | | |
| 63 | Q | 60.5 | Low | 63.1 | Low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -121 | 52.2 | -179.1 | -157.7 | -172.9 | -47.8 | 0 | 0 | 114.2 | | |
| 64 | H | 58.8 | Low | 64.1 | Low | 140 Ų | 140 | 143.1 Ų | 143.1 | 65% | 0.648 | 69% | 0.692 | S | S | * | * | | | trans | -131.6 | 38.5 | 156.5 | -64.4 | 144.3 | 0 | 0 | 0 | 111.1 | R66 | H64-R66 VanDerWaalsContact C-N 3.3Å; H64-R66 PolarHBondContact O-N 3.43Å |
| 65 | S | 58 | Low | 65.1 | Low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66.5 | -18.7 | -168.7 | 87.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 66 | R | 60.2 | Low | 66.6 | Low | 223 Ų | 223 | 133.8 Ų | 133.8 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -146.9 | -6.9 | -175.3 | -67.9 | -167.3 | 175.7 | -160.3 | -3.9 | 119.3 | H64 | H64-R66 VanDerWaalsContact C-N 3.3Å; H64-R66 PolarHBondContact O-N 3.43Å |
| 67 | H | 61.3 | Low | 67.7 | Low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | | | trans | -137.5 | 48.3 | -174.5 | -83.4 | -0.5 | 0 | 0 | 0 | 112.5 | K69 | H67-K69 PolarHBondContact O-N 3.18Š|
| 68 | E | 63 | Low | 68.6 | Low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 68% | 0.675 | S | S | * | * | | | trans | -64.5 | 89.3 | 149.5 | -170.1 | 173.5 | 168.9 | 0 | 0 | 105.7 | A70 | E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.46Å |
| 69 | K | 70.1 | Confident | 69.5 | Low | 188 Ų | 188 | 135.9 Ų | 135.9 | 82% | 0.817 | 67% | 0.67 | S | S | * | * | | | trans | -56 | 108.1 | 169.7 | -177.6 | 178.5 | -175.3 | -177.4 | 0 | 103.9 | H67 V71 | H67-K69 PolarHBondContact O-N 3.18Å; K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 2.96Å |
| 70 | A | 69.2 | Low | 70.7 | Confident | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | | | trans | -54.3 | 99.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | E68 S72 | E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.46Å; A70-S72 VanDerWaalsContact C-N 3.31Å; A70-S72 PolarHBondContact O-N 3.01Å |
| 71 | V | 71.3 | Confident | 71.9 | Confident | 94 Ų | 94 | 136.2 Ų | 136.2 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | | | trans | -70.4 | 103.4 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 103 | K69 L76 | K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 2.96Å; V71-L76 HydrophobicContact CG1-CB 4.15Å |
| 72 | S | 76.3 | Confident | 72.6 | Confident | 61 Ų | 61 | 128.3 Ų | 128.3 | 43% | 0.427 | 65% | 0.647 | S | S | . | * | | | trans | -58 | 146.4 | 177 | 66.5 | 0 | 0 | 0 | 0 | 107.9 | A70 T74 S75 L76 | A70-S72 VanDerWaalsContact C-N 3.31Å; A70-S72 PolarHBondContact O-N 3.01Å; S72-T74 PolarHBondContact O-N 3.19Å; S72-S75 WeakPolarHBondContact O-CA 3.35Å; S72-S75 WeakPolarHBondContact O-CB 3.39Å; S72-S75 PolarHBondContact O-N 3.18Å; S72-S75 WeakPolarHBondContact OG-CB 3.27Å; S72-S75 PolarHBondContact OG-N 3.12Å; S72-L76 PolarHBondContact O-N 3.2Å |
| 73 | R | 74.8 | Confident | 73.6 | Confident | 215 Ų | 215 | 128.4 Ų | 128.4 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50.1 | -35 | 173.9 | -69.3 | 174 | 53.9 | 74.2 | 3.1 | 111.1 | L76 T77 | R73-L76 PolarHBondContact O-N 3.47Å; R73-T77 PolarHBondContact O-N 3.38Å; R73-T77 PolarHBondContact O-OG1 3.05Å |
| 74 | T | 83.5 | Confident | 74.2 | Confident | 98 Ų | 98 | 123.5 Ų | 123.5 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63 | -46.8 | 173.5 | -41.7 | 0 | 0 | 0 | 0 | 112.8 | S72 L76 T77 E78 | S72-T74 PolarHBondContact O-N 3.19Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.76Å; T74-T77 WeakPolarHBondContact O-CB 3.48Å; T74-T77 PolarHBondContact O-N 2.92Å; T74-E78 WeakPolarHBondContact O-CB 3.3Å; T74-E78 WeakPolarHBondContact O-CG 3.2Å; T74-E78 PolarHBondContact O-N 2.77Å |
| 75 | S | 81.9 | Confident | 74.6 | Confident | 61 Ų | 61 | 121.1 Ų | 121.1 | 43% | 0.427 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.2 | -35 | 178 | -178 | 0 | 0 | 0 | 0 | 112.4 | S72 A79 | S72-S75 WeakPolarHBondContact O-CA 3.35Å; S72-S75 WeakPolarHBondContact O-CB 3.39Å; S72-S75 PolarHBondContact O-N 3.18Å; S72-S75 WeakPolarHBondContact OG-CB 3.27Å; S72-S75 PolarHBondContact OG-N 3.12Å; S75-A79 WeakPolarHBondContact O-CB 3.24Å; S75-A79 PolarHBondContact O-N 3.02Å |
| 76 | L | 82.2 | Confident | 75 | Confident | 106 Ų | 106 | 122.2 Ų | 122.2 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.2 | -48 | 172.9 | -174 | 104.4 | 0 | 0 | 0 | 110.1 | V71 S72 R73 T74 E78 A79 I80 | V71-L76 HydrophobicContact CG1-CB 4.15Å; S72-L76 PolarHBondContact O-N 3.2Å; R73-L76 PolarHBondContact O-N 3.47Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.76Å; L76-E78 PolarHBondContact O-N 3.05Å; L76-A79 PolarHBondContact O-N 3.14Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.82Å |
| 77 | T | 84 | Confident | 75 | Confident | 70 Ų | 70 | 115.1 Ų | 115.1 | 43% | 0.429 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59 | -46.2 | 177.3 | -60 | 0 | 0 | 0 | 0 | 111.7 | R73 T74 A79 I80 Y81 | R73-T77 PolarHBondContact O-N 3.38Å; R73-T77 PolarHBondContact O-OG1 3.05Å; T74-T77 WeakPolarHBondContact O-CB 3.48Å; T74-T77 PolarHBondContact O-N 2.92Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 3.09Å; T77-I80 PolarHBondContact O-N 3.04Å; T77-I80 VanDerWaalsContact O-N 3.15Å; T77-Y81 HydrophobicContact CG2-CD2 3.67Å; T77-Y81 HydrophobicContact CG2-CE2 3.81Å; T77-Y81 WeakPolarHBondContact O-CD2 3.14Å; T77-Y81 PolarHBondContact O-N 3.41Å |
| 78 | E | 81.1 | Confident | 75.1 | Confident | 127 Ų | 127 | 111.3 Ų | 111.3 | 59% | 0.593 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.1 | -46.2 | 173.8 | -81.3 | -68.1 | 148.6 | 0 | 0 | 111.4 | T74 L76 I80 Y81 A82 | T74-E78 WeakPolarHBondContact O-CB 3.3Å; T74-E78 WeakPolarHBondContact O-CG 3.2Å; T74-E78 PolarHBondContact O-N 2.77Å; L76-E78 PolarHBondContact O-N 3.05Å; E78-I80 VanDerWaalsContact C-N 3.29Å; E78-I80 PolarHBondContact O-N 2.87Å; E78-Y81 PolarHBondContact O-N 3.02Å; E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.05Å |
| 79 | A | 83.1 | Confident | 75 | Confident | 58 Ų | 58 | 107.1 Ų | 107.1 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.5 | -35.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S75 L76 T77 W83 | S75-A79 WeakPolarHBondContact O-CB 3.24Å; S75-A79 PolarHBondContact O-N 3.02Å; L76-A79 PolarHBondContact O-N 3.14Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 3.09Å; A79-W83 WeakPolarHBondContact O-CB 3.48Å; A79-W83 PolarHBondContact O-N 2.83Å |
| 80 | I | 84.3 | Confident | 74.8 | Confident | 118 Ų | 118 | 109 Ų | 109 | 61% | 0.605 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.6 | -41.6 | 177.9 | -62.8 | -69.7 | 0 | 0 | 0 | 110.9 | L76 T77 E78 W83 | L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.82Å; T77-I80 PolarHBondContact O-N 3.04Å; T77-I80 VanDerWaalsContact O-N 3.15Å; E78-I80 VanDerWaalsContact C-N 3.29Å; E78-I80 PolarHBondContact O-N 2.87Å; I80-W83 WeakPolarHBondContact O-CB 3.46Å |
| 81 | Y | 81.2 | Confident | 74.6 | Confident | 190 Ų | 190 | 107.8 Ų | 107.8 | 75% | 0.745 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.2 | -30.8 | 178.1 | -86.2 | -79.8 | 0 | 0 | 0 | 113.2 | T77 E78 P84 | T77-Y81 HydrophobicContact CG2-CD2 3.67Å; T77-Y81 HydrophobicContact CG2-CE2 3.81Å; T77-Y81 WeakPolarHBondContact O-CD2 3.14Å; T77-Y81 PolarHBondContact O-N 3.41Å; E78-Y81 PolarHBondContact O-N 3.02Å; Y81-P84 VanDerWaalsContact O-CD 3.24Å; Y81-P84 WeakPolarHBondContact O-CD 3.49Å |
| 82 | A | 77.2 | Confident | 74.4 | Confident | 34 Ų | 34 | 113 Ų | 113 | 28% | 0.281 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -81.2 | -16 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E78 P84 C85 E86 | E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.05Å; A82-P84 VanDerWaalsContact C-CD 3.41Å; A82-P84 VanDerWaalsContact C-N 3.31Å; A82-C85 WeakPolarHBondContact O-CB 3.48Å; A82-C85 PolarHBondContact O-N 3.17Å; A82-E86 PolarHBondContact O-N 2.7Å; A82-E86 VanDerWaalsContact O-N 3.09Å |
| 83 | W | 83.1 | Confident | 73.9 | Confident | 198 Ų | 198 | 116.5 Ų | 116.5 | 75% | 0.75 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -48.3 | -43.1 | 179.9 | -172.4 | -99 | 0 | 0 | 0 | 114.2 | A79 I80 S87 | A79-W83 WeakPolarHBondContact O-CB 3.48Å; A79-W83 PolarHBondContact O-N 2.83Å; I80-W83 WeakPolarHBondContact O-CB 3.46Å; W83-S87 PolarHBondContact O-N 2.97Å; W83-S87 PolarHBondContact O-OG 2.86Å; W83-S87 VanDerWaalsContact O-OG 3.14Å |
| 84 | P | 72.9 | Confident | 73.5 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 44% | 0.435 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71 | -34.9 | 176.1 | -16.3 | 33 | 0 | 0 | 0 | 112.8 | Y81 A82 S87 I88 | Y81-P84 VanDerWaalsContact O-CD 3.24Å; Y81-P84 WeakPolarHBondContact O-CD 3.49Å; A82-P84 VanDerWaalsContact C-CD 3.41Å; A82-P84 VanDerWaalsContact C-N 3.31Å; P84-S87 PolarHBondContact O-OG 3.38Å; P84-S87 VanDerWaalsContact O-OG 3.05Å; P84-I88 VanDerWaalsContact O-CD1 3.3Å; P84-I88 WeakPolarHBondContact O-CD1 3.41Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 3.21Å |
| 85 | C | 68.7 | Low | 72.5 | Confident | 90 Ų | 90 | 110.1 Ų | 110.1 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -43.8 | -176.2 | -136.1 | 0 | 0 | 0 | 0 | 111.4 | A82 S89 | A82-C85 WeakPolarHBondContact O-CB 3.48Å; A82-C85 PolarHBondContact O-N 3.17Å; C85-S89 PolarHBondContact O-N 3.43Å; C85-S89 PolarHBondContact O-OG 3.29Å |
| 86 | E | 64.8 | Low | 71.6 | Confident | 128 Ų | 128 | 112.8 Ų | 112.8 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.5 | -34.3 | 179.2 | -66.9 | -60.9 | 127.7 | 0 | 0 | 112.9 | A82 S89 | A82-E86 PolarHBondContact O-N 2.7Å; A82-E86 VanDerWaalsContact O-N 3.09Å; E86-S89 PolarHBondContact O-OG 3.5Å |
| 87 | S | 62 | Low | 70.8 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73 | -34.7 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | W83 P84 | W83-S87 PolarHBondContact O-N 2.97Å; W83-S87 PolarHBondContact O-OG 2.86Å; W83-S87 VanDerWaalsContact O-OG 3.14Å; P84-S87 PolarHBondContact O-OG 3.38Å; P84-S87 VanDerWaalsContact O-OG 3.05Å |
| 88 | I | 62.3 | Low | 69.7 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 51% | 0.513 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.3 | -35 | -178.4 | -63.5 | 165.2 | 0 | 0 | 0 | 111.5 | P84 R90 G91 | P84-I88 VanDerWaalsContact O-CD1 3.3Å; P84-I88 WeakPolarHBondContact O-CD1 3.41Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 3.21Å; I88-R90 PolarHBondContact O-N 3.16Å; I88-G91 PolarHBondContact O-N 3.19Å |
| 89 | S | 61.9 | Low | 68.9 | Low | 85 Ų | 85 | 123.4 Ų | 123.4 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.6 | -27.7 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | C85 E86 G91 | C85-S89 PolarHBondContact O-N 3.43Å; C85-S89 PolarHBondContact O-OG 3.29Å; E86-S89 PolarHBondContact O-OG 3.5Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.47Å |
| 90 | R | 64.5 | Low | 67.9 | Low | 227 Ų | 227 | 125.6 Ų | 125.6 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -19.1 | 178.4 | -167.4 | 171.6 | -67.7 | -129.9 | -0.7 | 113.9 | I88 | I88-R90 PolarHBondContact O-N 3.16Š|
| 91 | G | 65.6 | Low | 66.7 | Low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -9.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I88 S89 V93 | I88-G91 PolarHBondContact O-N 3.19Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.47Å; G91-V93 PolarHBondContact O-N 3.11Å |
| 92 | R | 66.6 | Low | 65.9 | Low | 204 Ų | 204 | 129 Ų | 129 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | | | trans | -99.2 | 89.8 | -171.4 | -149.2 | 177.9 | -77 | -175.4 | -2.6 | 111 | A94 | R92-A94 PolarHBondContact O-N 3.22Å; R92-A94 VanDerWaalsContact O-N 3.11Å |
| 93 | V | 67.3 | Low | 65 | Low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | | | trans | -62 | 110.9 | 161.3 | -175.6 | 0 | 0 | 0 | 0 | 105.8 | G91 | G91-V93 PolarHBondContact O-N 3.11Š|
| 94 | A | 65 | Low | 63.8 | Low | 73 Ų | 73 | 136 Ų | 136 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 135.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | R92 | R92-A94 PolarHBondContact O-N 3.22Å; R92-A94 VanDerWaalsContact O-N 3.11Å |
| 95 | P | 63.6 | Low | 63.3 | Low | 107 Ų | 107 | 139.4 Ų | 139.4 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 131.1 | 176.3 | -25.3 | 32.5 | 0 | 0 | 0 | 108.4 | H97 | P95-H97 PolarHBondContact O-N 3Š|
| 96 | P | 62.8 | Low | 63.1 | Low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 120 | 173.5 | 16.3 | -25.2 | 0 | 0 | 0 | 105.8 | S98 | P96-S98 PolarHBondContact O-N 2.92Š|
| 97 | H | 64 | Low | 63 | Low | 179 Ų | 179 | 142.8 Ų | 142.8 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | trans | -35 | 118.5 | -178.9 | -89.1 | 4.4 | 0 | 0 | 0 | 108 | P95 R99 | P95-H97 PolarHBondContact O-N 3Å; H97-R99 PolarHBondContact O-N 3.11Å |
| 98 | S | 60.9 | Low | 63 | Low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -33.8 | 113.6 | 174.2 | 45.1 | 0 | 0 | 0 | 0 | 107.6 | P96 | P96-S98 PolarHBondContact O-N 2.92Š|
| 99 | R | 64.5 | Low | 63.1 | Low | 235 Ų | 235 | 149.8 Ų | 149.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -43.9 | 133.8 | -174.7 | -91 | -164.2 | 176.6 | -160.4 | 2.1 | 108.8 | H97 Y101 | H97-R99 PolarHBondContact O-N 3.11Å; R99-Y101 PolarHBondContact O-N 2.94Å; R99-Y101 VanDerWaalsContact O-N 3.11Å |
| 100 | P | 61.7 | Low | 63.1 | Low | 103 Ų | 103 | 154.1 Ų | 154.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | -59.8 | 122.5 | 172.7 | 27.4 | -32.3 | 0 | 0 | 0 | 106.6 | Q102 | P100-Q102 VanDerWaalsContact C-N 3.29Å; P100-Q102 PolarHBondContact O-N 2.88Å |
| 101 | Y | 61 | Low | 63 | Low | 217 Ų | 217 | 148.9 Ų | 148.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 96.6 | 172.7 | -146.4 | -94.2 | 0 | 0 | 0 | 106.3 | R99 | R99-Y101 PolarHBondContact O-N 2.94Å; R99-Y101 VanDerWaalsContact O-N 3.11Å |
| 102 | Q | 63.6 | Low | 62.8 | Low | 163 Ų | 163 | 155.5 Ų | 155.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -100.3 | 92.9 | 166.9 | -76.5 | -178.4 | -14.6 | 0 | 0 | 105.4 | P100 | P100-Q102 VanDerWaalsContact C-N 3.29Å; P100-Q102 PolarHBondContact O-N 2.88Å |
| 103 | D | 58.1 | Low | 62.5 | Low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | -168.9 | 92.1 | 159.7 | -87.8 | -35.2 | 0 | 0 | 0 | 106.3 | | |
| 104 | I | 57.8 | Low | 62.1 | Low | 245 Ų | 245 | 153.1 Ų | 153.1 | 100% | 1.256 | 80% | 0.801 | S | S | * | * | | | trans | -165.1 | 0 | 143.7 | -84.2 | 145.6 | 0 | 0 | 0 | 106.4 | | |