| 1 | M | 46 | Very low | 52.4 | Low | 235 Ų | 235 | 160.7 Ų | 160.7 | 100% | 1.158 | 80% | 0.8 | S | S | * | * | | | | 0 | 107.2 | 0 | -69.5 | 167.1 | -179.9 | 0 | 0 | 107.4 | N3 | M1-N3 PolarHBondContact O-N 3.47Š|
| 2 | V | 49.8 | Very low | 51.9 | Low | 141 Ų | 141 | 154.1 Ų | 154.1 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -82.1 | 114.7 | -170.1 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | R4 | V2-R4 PolarHBondContact O-N 3.07Å; V2-R4 VanDerWaalsContact O-N 3.09Å |
| 3 | N | 53.5 | Low | 51 | Low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | -57.7 | 112.2 | -177.9 | -75.8 | -16.1 | 0 | 0 | 0 | 110.9 | M1 W5 G6 | M1-N3 PolarHBondContact O-N 3.47Å; N3-W5 PolarHBondContact O-N 3.26Å; N3-G6 PolarHBondContact O-N 3.28Å |
| 4 | R | 59.3 | Low | 50.1 | Low | 209 Ų | 209 | 144.9 Ų | 144.9 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -63.9 | -2 | 179.7 | -154.1 | -176.3 | -70.6 | -153.5 | 0.9 | 113.7 | V2 | V2-R4 PolarHBondContact O-N 3.07Å; V2-R4 VanDerWaalsContact O-N 3.09Å |
| 5 | W | 55.1 | Low | 49.2 | Very low | 244 Ų | 244 | 140.8 Ų | 140.8 | 92% | 0.924 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -88.7 | -10.9 | -176.4 | -69.4 | 72.4 | 0 | 0 | 0 | 114.1 | N3 | N3-W5 PolarHBondContact O-N 3.26Š|
| 6 | G | 55.2 | Low | 48.5 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -84.3 | -2.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N3 | N3-G6 PolarHBondContact O-N 3.28Š|
| 7 | R | 55.4 | Low | 48 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -94 | -2.7 | -168.1 | -98 | -171.4 | -73.9 | -145.2 | -3 | 116.2 | | |
| 8 | N | 51.5 | Low | 47.5 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -116.8 | 19.4 | -178 | -79.9 | -17 | 0 | 0 | 0 | 113.6 | P10 | N8-P10 WeakPolarHBondContact O-CD 3.45Š|
| 9 | A | 51.1 | Low | 47.3 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -71.4 | 109.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y11 | A9-Y11 PolarHBondContact O-N 3.01Å; A9-Y11 VanDerWaalsContact O-N 3.12Å |
| 10 | P | 54.8 | Low | 47.5 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 55% | 0.545 | 81% | 0.809 | S | S | . | * | | | trans | -71.3 | 111.5 | 171.6 | 22.2 | -10.1 | 0 | 0 | 0 | 106.9 | N8 | N8-P10 WeakPolarHBondContact O-CD 3.45Š|
| 11 | Y | 44.8 | Very low | 47.4 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | 23.6 | 121.4 | 140.2 | 47.3 | -94.1 | 0 | 0 | 0 | 117.7 | A9 | A9-Y11 PolarHBondContact O-N 3.01Å; A9-Y11 VanDerWaalsContact O-N 3.12Å |
| 12 | G | 46.6 | Very low | 47.9 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 103.3 | 93.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 13 | G | 40.3 | Very low | 47.9 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | | 108 | 96.3 | 75.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 14 | A | 38.3 | Very low | 47.8 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | | 48.7 | 97.2 | 91.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 15 | G | 36.3 | Very low | 47.1 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 85.7 | 143.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 16 | G | 38.5 | Very low | 46.6 | Very low | 82 Ų | 82 | 113.6 Ų | 113.6 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | 90 | 113.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 17 | G | 38.8 | Very low | 46.6 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | cis | 100.5 | 95.3 | 45.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 18 | G | 39.4 | Very low | 46.5 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | 44.5 | 110.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 19 | S | 44.1 | Very low | 47.1 | Very low | 96 Ų | 96 | 106.4 Ų | 106.4 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | trans | -157.7 | 89.2 | 143.9 | -164.7 | 0 | 0 | 0 | 0 | 110 | Y21 | S19-Y21 WeakPolarHBondContact OG-CE1 2.86Š|
| 20 | G | 51.9 | Low | 47.5 | Very low | 83 Ų | 83 | 108.6 Ų | 108.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -121.7 | 36 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 21 | Y | 45.9 | Very low | 47.9 | Very low | 192 Ų | 192 | 112.8 Ų | 112.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -103.9 | 91.6 | -179.8 | 61.1 | -89.4 | 0 | 0 | 0 | 111.9 | S19 | S19-Y21 WeakPolarHBondContact OG-CE1 2.86Š|
| 22 | M | 54.7 | Low | 48.8 | Very low | 202 Ų | 202 | 112.9 Ų | 112.9 | 100% | 0.995 | 80% | 0.797 | S | S | * | * | | | trans | -144.6 | 72 | 142.8 | -80.3 | -157.6 | -177 | 0 | 0 | 107.3 | | |
| 23 | G | 51.2 | Low | 49.6 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -134.9 | 88.2 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | G25 | G23-G25 PolarHBondContact O-N 3.18Š|
| 24 | S | 50.1 | Low | 51.1 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -75.6 | 107.9 | 160.3 | 150.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 25 | G | 46.3 | Very low | 52.4 | Low | 56 Ų | 56 | 114.9 Ų | 114.9 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 83.7 | 101.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | G23 A27 | G23-G25 PolarHBondContact O-N 3.18Å; G25-A27 PolarHBondContact O-N 3.22Å |
| 26 | V | 43.8 | Very low | 54.1 | Low | 161 Ų | 161 | 116.9 Ų | 116.9 | 98% | 0.976 | 78% | 0.781 | S | S | * | * | | | trans | 22 | 84.3 | 150.2 | -81.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 27 | A | 54 | Low | 55.7 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -149.9 | 84.9 | 154 | 0 | 0 | 0 | 0 | 0 | 108.3 | G25 A29 | G25-A27 PolarHBondContact O-N 3.22Å; A27-A29 PolarHBondContact O-N 3.38Å |
| 28 | S | 54.4 | Low | 57.4 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | -73.6 | 103.9 | 166.3 | 48.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 29 | A | 64.8 | Low | 59.2 | Low | 62 Ų | 62 | 120.7 Ų | 120.7 | 51% | 0.512 | 75% | 0.751 | S | S | . | * | | | trans | -93.3 | 104.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | A27 F31 | A27-A29 PolarHBondContact O-N 3.38Å; A29-F31 HydrophobicContact CB-CD2 4.29Å; A29-F31 PolarHBondContact O-N 2.97Å; A29-F31 WeakPolarHBondContact O-CD2 3.45Å; A29-F31 VanDerWaalsContact O-CD2 3.24Å; A29-F31 HydrophobicContact CB-CZ 3.82Å; A29-F31 HydrophobicContact CB-CE2 3.61Å |
| 30 | D | 58.2 | Low | 60.8 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -72.7 | 113.9 | 169.8 | -66.7 | -51.8 | 0 | 0 | 0 | 108.5 | | |
| 31 | F | 64.2 | Low | 61.8 | Low | 171 Ų | 171 | 127 Ų | 127 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | | | trans | -95.7 | 110.1 | 174.7 | -66.4 | -82.6 | 0 | 0 | 0 | 109.6 | A29 M33 | A29-F31 HydrophobicContact CB-CD2 4.29Å; A29-F31 PolarHBondContact O-N 2.97Å; A29-F31 WeakPolarHBondContact O-CD2 3.45Å; A29-F31 VanDerWaalsContact O-CD2 3.24Å; A29-F31 HydrophobicContact CB-CZ 3.82Å; A29-F31 HydrophobicContact CB-CE2 3.61Å; F31-M33 PolarHBondContact O-N 3.03Å |
| 32 | Y | 63 | Low | 63.4 | Low | 219 Ų | 219 | 128.8 Ų | 128.8 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | | | trans | -81.2 | 106.2 | 165.5 | -66.4 | -84.3 | 0 | 0 | 0 | 109.1 | G34 | Y32-G34 PolarHBondContact O-N 3.48Š|
| 33 | M | 63.8 | Low | 64.7 | Low | 176 Ų | 176 | 124.7 Ų | 124.7 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | | | trans | -78.9 | 102.4 | 169.9 | -70.9 | -70.6 | -173.4 | 0 | 0 | 108.7 | F31 | F31-M33 PolarHBondContact O-N 3.03Š|
| 34 | G | 72.4 | Confident | 66 | Low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y32 | Y32-G34 PolarHBondContact O-N 3.48Š|
| 35 | G | 65.4 | Low | 67.4 | Low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T37 | G35-T37 PolarHBondContact O-N 3.47Š|
| 36 | P | 71.8 | Confident | 68.9 | Low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.1 | -176.8 | 26.8 | -33.7 | 0 | 0 | 0 | 110 | | |
| 37 | T | 72.3 | Confident | 70.6 | Confident | 68 Ų | 68 | 129 Ų | 129 | 42% | 0.417 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -87.5 | 157.3 | 170.1 | 72.4 | 0 | 0 | 0 | 0 | 109.9 | G35 N39 D40 | G35-T37 PolarHBondContact O-N 3.47Å; T37-N39 VanDerWaalsContact O-N 3.09Å; T37-N39 PolarHBondContact OG1-N 3.06Å; T37-N39 PolarHBondContact O-N 3.35Å; T37-D40 PolarHBondContact OG1-OD2 3.32Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact O-N 3.15Å; T37-D40 WeakPolarHBondContact O-CB 3.12Å; T37-D40 PolarHBondContact N-OD2 2.99Å; T37-D40 WeakPolarHBondContact CB-OD2 3.18Å; T37-D40 WeakPolarHBondContact CA-OD2 3.36Å |
| 38 | P | 73.7 | Confident | 71.6 | Confident | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -56.7 | -23.7 | 172.7 | -26.1 | 35.5 | 0 | 0 | 0 | 113.9 | D40 R41 | P38-D40 VanDerWaalsContact C-N 3.3Å; P38-R41 WeakPolarHBondContact O-CG 3.36Å |
| 39 | N | 78.4 | Confident | 72.5 | Confident | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.2 | -15.5 | 176.1 | -67 | -22.4 | 0 | 0 | 0 | 113 | T37 R41 | T37-N39 VanDerWaalsContact O-N 3.09Å; T37-N39 PolarHBondContact OG1-N 3.06Å; T37-N39 PolarHBondContact O-N 3.35Å; N39-R41 PolarHBondContact O-N 2.77Å |
| 40 | D | 76.7 | Confident | 72.8 | Confident | 97 Ų | 97 | 132.4 Ų | 132.4 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | G | 310 helix | trans | -83.4 | 3.8 | 177.3 | -59.3 | -47.8 | 0 | 0 | 0 | 112.8 | T37 P38 R42 | T37-D40 PolarHBondContact OG1-OD2 3.32Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact O-N 3.15Å; T37-D40 WeakPolarHBondContact O-CB 3.12Å; T37-D40 PolarHBondContact N-OD2 2.99Å; T37-D40 WeakPolarHBondContact CB-OD2 3.18Å; T37-D40 WeakPolarHBondContact CA-OD2 3.36Å; P38-D40 VanDerWaalsContact C-N 3.3Å; D40-R42 PolarHBondContact O-N 2.88Å |
| 41 | R | 73.7 | Confident | 73.5 | Confident | 213 Ų | 213 | 134.8 Ų | 134.8 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | -66.4 | 101.8 | 175 | -73.8 | -178.8 | 177 | 177.9 | 1.6 | 109.9 | P38 N39 | P38-R41 WeakPolarHBondContact O-CG 3.36Å; N39-R41 PolarHBondContact O-N 2.77Å |
| 42 | R | 79.3 | Confident | 73.6 | Confident | 230 Ų | 230 | 131 Ų | 131 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | | | trans | -72.4 | 142.5 | 169.4 | -65.1 | -177.3 | 178 | -138.2 | -1.9 | 109.9 | D40 | D40-R42 PolarHBondContact O-N 2.88Š|
| 43 | P | 81.7 | Confident | 73.6 | Confident | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | | | trans | -57.3 | 147.9 | 170.5 | 25.7 | -33.3 | 0 | 0 | 0 | 109.5 | N45 | P43-N45 PolarHBondContact O-N 3.32Š|
| 44 | Y | 78.6 | Confident | 73.2 | Confident | 214 Ų | 214 | 130.1 Ų | 130.1 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | | | trans | -62.2 | 102.4 | 177 | -175.8 | -110.4 | 0 | 0 | 0 | 109.3 | V46 | Y44-V46 WeakPolarHBondContact OH-CG2 3.35Å; Y44-V46 HydrophobicContact CG-CG2 4.48Å; Y44-V46 HydrophobicContact CE2-CG2 3.77Å; Y44-V46 HydrophobicContact CD2-CG2 4.43Å; Y44-V46 HydrophobicContact CE1-CG2 3.11Å; Y44-V46 HydrophobicContact CD1-CG2 3.86Å |
| 45 | N | 79 | Confident | 72.3 | Confident | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | | | trans | -120.3 | 93.4 | 176.5 | -173.1 | 19.4 | 0 | 0 | 0 | 107.7 | P43 A47 | P43-N45 PolarHBondContact O-N 3.32Å; N45-A47 PolarHBondContact O-N 3.43Å |
| 46 | V | 77.1 | Confident | 71.7 | Confident | 77 Ų | 77 | 128.6 Ų | 128.6 | 47% | 0.467 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 122.2 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 107.2 | Y44 | Y44-V46 WeakPolarHBondContact OH-CG2 3.35Å; Y44-V46 HydrophobicContact CG-CG2 4.48Å; Y44-V46 HydrophobicContact CE2-CG2 3.77Å; Y44-V46 HydrophobicContact CD2-CG2 4.43Å; Y44-V46 HydrophobicContact CE1-CG2 3.11Å; Y44-V46 HydrophobicContact CD1-CG2 3.86Å |
| 47 | A | 79.7 | Confident | 70.8 | Confident | 75 Ų | 75 | 129.9 Ų | 129.9 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 128.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | N45 V49 | N45-A47 PolarHBondContact O-N 3.43Å; A47-V49 PolarHBondContact O-N 3.09Å |
| 48 | P | 76 | Confident | 69.9 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.2 | -178.5 | 22.7 | -32.1 | 0 | 0 | 0 | 108.4 | A50 | P48-A50 PolarHBondContact O-N 2.97Š|
| 49 | V | 71.9 | Confident | 68.9 | Low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | | | trans | -66.9 | 111.4 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 106 | A47 K51 | A47-V49 PolarHBondContact O-N 3.09Å; V49-K51 PolarHBondContact O-N 3.38Å |
| 50 | A | 72 | Confident | 67.7 | Low | 90 Ų | 90 | 135.3 Ų | 135.3 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | | | trans | -56.2 | 111.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107 | P48 P52 | P48-A50 PolarHBondContact O-N 2.97Å; A50-P52 WeakPolarHBondContact O-CD 3.43Å; A50-P52 VanDerWaalsContact O-N 3.13Å |
| 51 | K | 72.3 | Confident | 66.4 | Low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | | | trans | -56.6 | 120.7 | 172.7 | -78.5 | 166.9 | 175.1 | 169.4 | 0 | 106.6 | V49 F53 | V49-K51 PolarHBondContact O-N 3.38Å; K51-F53 PolarHBondContact O-N 2.93Å; K51-F53 VanDerWaalsContact O-N 3.15Å |
| 52 | P | 67.6 | Low | 65.3 | Low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 68% | 0.68 | S | S | * | * | | | trans | -61.3 | 124.9 | 174.2 | 24.7 | -31.1 | 0 | 0 | 0 | 107.3 | A50 Y54 | A50-P52 WeakPolarHBondContact O-CD 3.43Å; A50-P52 VanDerWaalsContact O-N 3.13Å; P52-Y54 HydrophobicContact CB-CD2 3.66Å; P52-Y54 HydrophobicContact CB-CE2 3.51Å; P52-Y54 HydrophobicContact CG-CD2 3.72Å; P52-Y54 HydrophobicContact CG-CE2 3.61Å; P52-Y54 PolarHBondContact O-N 3.48Å |
| 53 | F | 62.5 | Low | 64 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | | | trans | -67.1 | 78.3 | 175.2 | -77.3 | -91.3 | 0 | 0 | 0 | 109.6 | K51 G55 Y57 | K51-F53 PolarHBondContact O-N 2.93Å; K51-F53 VanDerWaalsContact O-N 3.15Å; F53-G55 PolarHBondContact O-N 2.97Å; F53-Y57 WeakPolarHBondContact CG-OH 3.15Å; F53-Y57 HydrophobicContact CB-CE2 3.89Å; F53-Y57 WeakPolarHBondContact CB-OH 3.4Å |
| 54 | Y | 55.5 | Low | 62.7 | Low | 217 Ų | 217 | 129.7 Ų | 129.7 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -87.3 | 82.6 | 163.8 | -74.1 | -82.5 | 0 | 0 | 0 | 107.6 | P52 | P52-Y54 HydrophobicContact CB-CD2 3.66Å; P52-Y54 HydrophobicContact CB-CE2 3.51Å; P52-Y54 HydrophobicContact CG-CD2 3.72Å; P52-Y54 HydrophobicContact CG-CE2 3.61Å; P52-Y54 PolarHBondContact O-N 3.48Å |
| 55 | G | 53 | Low | 61.5 | Low | 50 Ų | 50 | 127.4 Ų | 127.4 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 158 | -22.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | F53 Y57 | F53-G55 PolarHBondContact O-N 2.97Å; G55-Y57 PolarHBondContact O-N 3.09Å |
| 56 | G | 52.1 | Low | 60.3 | Low | 45 Ų | 45 | 123.4 Ų | 123.4 | 46% | 0.464 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 1.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 57 | Y | 52.9 | Low | 59.2 | Low | 152 Ų | 152 | 125.2 Ų | 125.2 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -3.6 | -167.6 | -39.8 | -67.2 | 0 | 0 | 0 | 115.3 | F53 G55 | F53-Y57 WeakPolarHBondContact CG-OH 3.15Å; F53-Y57 HydrophobicContact CB-CE2 3.89Å; F53-Y57 WeakPolarHBondContact CB-OH 3.4Å; G55-Y57 PolarHBondContact O-N 3.09Å |
| 58 | R | 53.5 | Low | 58 | Low | 183 Ų | 183 | 129.2 Ų | 129.2 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -40.9 | -176.4 | -69.7 | -167.5 | -174.1 | -175.8 | 3.7 | 112.2 | D60 Y62 | R58-D60 PolarHBondContact O-N 2.68Å; R58-Y62 HydrophobicContact CB-CD2 4.22Å; R58-Y62 HydrophobicContact CB-CE2 3.83Å; R58-Y62 HydrophobicContact CG-CE2 4.05Å; R58-Y62 WeakPolarHBondContact O-CD2 3.24Å; R58-Y62 WeakPolarHBondContact O-CE2 3.11Å |
| 59 | E | 53.1 | Low | 57 | Low | 144 Ų | 144 | 132.1 Ų | 132.1 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.3 | -32.6 | -168.3 | -72.9 | 149.6 | -160.1 | 0 | 0 | 114 | N61 N63 | E59-N61 PolarHBondContact O-N 2.73Å; E59-N63 PolarHBondContact O-ND2 3.41Å |
| 60 | D | 53.1 | Low | 56.1 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 60% | 0.599 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.8 | -17.8 | -179.1 | -66.9 | -35.6 | 0 | 0 | 0 | 114.7 | R58 | R58-D60 PolarHBondContact O-N 2.68Å |
| 61 | N | 50.1 | Low | 55.4 | Low | 110 Ų | 110 | 134.2 Ų | 134.2 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -97.6 | -20.2 | -176 | -98.2 | -38.2 | 0 | 0 | 0 | 113.8 | E59 | E59-N61 PolarHBondContact O-N 2.73Å |
| 62 | Y | 51.1 | Low | 54.6 | Low | 154 Ų | 154 | 134.5 Ų | 134.5 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93.2 | -27.4 | 178.5 | -61.4 | -59.6 | 0 | 0 | 0 | 113.2 | R58 | R58-Y62 HydrophobicContact CB-CD2 4.22Å; R58-Y62 HydrophobicContact CB-CE2 3.83Å; R58-Y62 HydrophobicContact CG-CE2 4.05Å; R58-Y62 WeakPolarHBondContact O-CD2 3.24Å; R58-Y62 WeakPolarHBondContact O-CE2 3.11Å |
| 63 | N | 52.2 | Low | 53.8 | Low | 107 Ų | 107 | 141.3 Ų | 141.3 | 57% | 0.572 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.7 | -29.4 | 177.9 | -74.2 | -20.1 | 0 | 0 | 0 | 113.4 | E59 R65 S66 | E59-N63 PolarHBondContact O-ND2 3.41Å; N63-R65 VanDerWaalsContact C-N 3.28Å; N63-R65 PolarHBondContact O-N 3.12Å; N63-S66 PolarHBondContact O-OG 3.44Å |
| 64 | R | 53.5 | Low | 53 | Low | 167 Ų | 167 | 136.4 Ų | 136.4 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.5 | -2.8 | -180 | -67.5 | -166.8 | -124.4 | -176.9 | -3.5 | 115.4 | R68 | R64-R68 PolarHBondContact O-NE 3.44Å; R64-R68 PolarHBondContact O-NH2 3.31Å |
| 65 | R | 52.7 | Low | 52.5 | Low | 167 Ų | 167 | 129.7 Ų | 129.7 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -103.5 | -22.4 | -178.7 | -80.9 | -173.9 | -173.2 | -175.7 | 3 | 113.4 | N63 | N63-R65 VanDerWaalsContact C-N 3.28Å; N63-R65 PolarHBondContact O-N 3.12Å |
| 66 | S | 53.8 | Low | 52.4 | Low | 61 Ų | 61 | 137.4 Ų | 137.4 | 43% | 0.427 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.3 | -43.1 | 174.4 | 31.1 | 0 | 0 | 0 | 0 | 111.4 | N63 R68 R69 | N63-S66 PolarHBondContact O-OG 3.44Å; S66-R68 PolarHBondContact O-N 3.25Å; S66-R69 PolarHBondContact O-N 3.18Å |
| 67 | D | 54.2 | Low | 52.5 | Low | 114 Ų | 114 | 147 Ų | 147 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -17.5 | -172.4 | -48.3 | -23.9 | 0 | 0 | 0 | 113.6 | | |
| 68 | R | 54.6 | Low | 52.4 | Low | 160 Ų | 160 | 143.1 Ų | 143.1 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -7.5 | 179 | -80.8 | -176.1 | -78.5 | 176.9 | -7.6 | 114.2 | R64 S66 | R64-R68 PolarHBondContact O-NE 3.44Å; R64-R68 PolarHBondContact O-NH2 3.31Å; S66-R68 PolarHBondContact O-N 3.25Å |
| 69 | R | 55.4 | Low | 52.6 | Low | 186 Ų | 186 | 142.5 Ų | 142.5 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -19.4 | -177.9 | -76.7 | -178.4 | -179.5 | -163.9 | -0.2 | 113.1 | S66 | S66-R69 PolarHBondContact O-N 3.18Š|
| 70 | D | 54 | Low | 52.7 | Low | 127 Ų | 127 | 147.3 Ų | 147.3 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.7 | -22.8 | 176.9 | -69.8 | -27.1 | 0 | 0 | 0 | 112.8 | | |
| 71 | D | 56.2 | Low | 52.4 | Low | 129 Ų | 129 | 150.9 Ų | 150.9 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -75.7 | -25.2 | 178.8 | -62.6 | -32.8 | 0 | 0 | 0 | 113.4 | | |
| 72 | F | 55.2 | Low | 52.3 | Low | 190 Ų | 190 | 152.7 Ų | 152.7 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -97.3 | -8 | -173.5 | -109.1 | -94.6 | 0 | 0 | 0 | 114.6 | | |
| 73 | R | 51.1 | Low | 52.4 | Low | 234 Ų | 234 | 152.6 Ų | 152.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -147.5 | 58.1 | -179.4 | -65.4 | -175.9 | -171.3 | 167.2 | 2 | 112.3 | | |
| 74 | G | 45.2 | Very low | 52.4 | Low | 55 Ų | 55 | 155 Ų | 155 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | trans | -173.5 | -14.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 121 | K76 | G74-K76 PolarHBondContact O-N 3.24Š|
| 75 | G | 45.5 | Very low | 52.3 | Low | 77 Ų | 77 | 154.3 Ų | 154.3 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -80.4 | 1.8 | -159.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 76 | K | 51.4 | Low | 52.3 | Low | 211 Ų | 211 | 153.6 Ų | 153.6 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | trans | -99.2 | 42.5 | 178 | -77.2 | -138.6 | -174.4 | -175.7 | 0 | 114.2 | G74 | G74-K76 PolarHBondContact O-N 3.24Š|
| 77 | R | 53.3 | Low | 52.2 | Low | 246 Ų | 246 | 159.4 Ų | 159.4 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | | | trans | -129.7 | 55.4 | 170.3 | -65.2 | -174.2 | 179.4 | -173.6 | 0.5 | 111.2 | | |
| 78 | G | 52.1 | Low | 52.1 | Low | 72 Ų | 72 | 162.4 Ų | 162.4 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | | | trans | -90.1 | 132.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 79 | Q | 56 | Low | 51.9 | Low | 169 Ų | 169 | 162.6 Ų | 162.6 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | | | trans | -40.8 | 132.3 | -171.5 | -168.6 | -179.2 | 1.5 | 0 | 0 | 115 | K81 | Q79-K81 PolarHBondContact O-N 3.26Š|
| 80 | R | 57 | Low | 51.6 | Low | 246 Ų | 246 | 160.8 Ų | 160.8 | 93% | 0.928 | 85% | 0.853 | S | S | * | * | | | trans | -65.4 | 103.2 | 156.2 | -78.8 | -175.7 | 169.4 | -166.2 | -3.7 | 106.9 | G82 | R80-G82 PolarHBondContact O-N 3.39Š|
| 81 | K | 46.4 | Very low | 51.4 | Low | 186 Ų | 186 | 163.6 Ų | 163.6 | 81% | 0.809 | 87% | 0.867 | S | S | * | * | | | trans | -68.6 | 124.2 | 157 | -87.6 | -174 | 172 | -177.4 | 0 | 106.7 | Q79 | Q79-K81 PolarHBondContact O-N 3.26Š|
| 82 | G | 48 | Very low | 51 | Low | 148 Ų | 148 | 166.7 Ų | 166.7 | 100% | 1.526 | 88% | 0.883 | S | S | * | * | | | trans | -69 | 0 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R80 | R80-G82 PolarHBondContact O-N 3.39Š|