| 1 | M | 77.2 | Confident | 62.8 | Low | 240 Ų | 240 | 124.9 Ų | 124.9 | 100% | 1.182 | 77% | 0.772 | S | S | * | * | | | | 0 | 130.1 | 0 | -111.7 | 78.9 | 170.2 | 0 | 0 | 108.7 | | |
| 2 | N | 44.2 | Very low | 62.8 | Low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -88.6 | 127.3 | 165.8 | -170.6 | 61.5 | 0 | 0 | 0 | 108.5 | V4 | N2-V4 PolarHBondContact O-N 2.79Š|
| 3 | P | 69.5 | Low | 63 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 47% | 0.474 | 76% | 0.761 | S | S | . | * | | | trans | -66.9 | 122.6 | 176 | 26.1 | -31.1 | 0 | 0 | 0 | 109.4 | Y5 | P3-Y5 HydrophobicContact CB-CE2 4.26Å; P3-Y5 PolarHBondContact O-N 3.43Å; P3-Y5 HydrophobicContact CG-CE2 3.97Å |
| 4 | V | 74.3 | Confident | 63 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | trans | -82.6 | 112.1 | 171.4 | 179.8 | 0 | 0 | 0 | 0 | 107 | N2 | N2-V4 PolarHBondContact O-N 2.79Š|
| 5 | Y | 58.6 | Low | 63.4 | Low | 195 Ų | 195 | 121.8 Ų | 121.8 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | -85.6 | 111.7 | 172.1 | -65.6 | -77.1 | 0 | 0 | 0 | 108.5 | P3 | P3-Y5 HydrophobicContact CB-CE2 4.26Å; P3-Y5 PolarHBondContact O-N 3.43Å; P3-Y5 HydrophobicContact CG-CE2 3.97Å |
| 6 | S | 62.8 | Low | 63.5 | Low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | trans | -58 | 136.3 | 164.3 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | G8 | S6-G8 PolarHBondContact O-N 3.1Š|
| 7 | P | 63.2 | Low | 63.5 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | | | trans | -59.9 | 110.5 | 169.8 | 24.4 | -30 | 0 | 0 | 0 | 107 | | |
| 8 | G | 64.6 | Low | 64.3 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | trans | -55.1 | 143.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S6 S10 | S6-G8 PolarHBondContact O-N 3.1Å; G8-S10 PolarHBondContact O-N 3.29Å |
| 9 | S | 57.5 | Low | 64.4 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | trans | -53.8 | 101.4 | -178.6 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | G11 | S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 3.29Å |
| 10 | S | 59.8 | Low | 64.6 | Low | 129 Ų | 129 | 118 Ų | 118 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 85.1 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | G8 | G8-S10 PolarHBondContact O-N 3.29Š|
| 11 | G | 58.9 | Low | 64.7 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.9 | -18.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S9 P13 | S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 3.29Å; G11-P13 WeakPolarHBondContact O-CD 3.39Å |
| 12 | V | 62.6 | Low | 63.9 | Low | 117 Ų | 117 | 110.7 Ų | 110.7 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -83.8 | 120.2 | 170.5 | -82.7 | 0 | 0 | 0 | 0 | 109.7 | Y14 | V12-Y14 PolarHBondContact O-N 2.77Š|
| 13 | P | 65.3 | Low | 64.7 | Low | 107 Ų | 107 | 108 Ų | 108 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | | | trans | -56.6 | 131.8 | 174.7 | -21.3 | 31.9 | 0 | 0 | 0 | 109.5 | G11 A15 | G11-P13 WeakPolarHBondContact O-CD 3.39Å; P13-A15 PolarHBondContact O-N 3.31Å |
| 14 | Y | 63.8 | Low | 64.2 | Low | 168 Ų | 168 | 110 Ų | 110 | 66% | 0.659 | 69% | 0.688 | S | S | * | * | | | trans | -62.9 | 114.3 | 172.2 | 178.2 | -98.1 | 0 | 0 | 0 | 108.9 | V12 N16 G21 | V12-Y14 PolarHBondContact O-N 2.77Å; Y14-N16 HydrophobicContact CE1-CB 4.29Å; Y14-G21 WeakPolarHBondContact O-CA 3.3Å |
| 15 | A | 68.2 | Low | 63.5 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 50% | 0.504 | 69% | 0.688 | S | S | . | * | B | Isolated β-bridge | trans | -108.1 | 125.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | P13 | P13-A15 PolarHBondContact O-N 3.31Å |
| 16 | N | 65.2 | Low | 63.4 | Low | 49 Ų | 49 | 104.6 Ų | 104.6 | 26% | 0.262 | 68% | 0.68 | S | S | . | * | | | trans | -67.8 | 164.8 | 172.1 | 71 | -25.9 | 0 | 0 | 0 | 110.2 | Y14 K18 G19 I20 | Y14-N16 HydrophobicContact CE1-CB 4.29Å; N16-K18 PolarHBondContact O-N 3.06Å; N16-G19 PolarHBondContact OD1-N 2.93Å; N16-G19 PolarHBondContact O-N 2.9Å; N16-I20 VanDerWaalsContact OD1-CA 3.3Å; N16-I20 WeakPolarHBondContact OD1-CA 3.44Å; N16-I20 WeakPolarHBondContact OD1-CB 3.43Å; N16-I20 PolarHBondContact OD1-N 3.06Å; N16-I20 PolarHBondContact OD1-O 2.94Å |
| 17 | A | 64.5 | Low | 63.2 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 98% | 0.983 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G19 | A17-G19 VanDerWaalsContact C-N 3.32Š|
| 18 | K | 77.8 | Confident | 63.3 | Low | 176 Ų | 176 | 106.4 Ų | 106.4 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 6.5 | 173.4 | -55.4 | -177.6 | 176.9 | -178.2 | 0 | 113.5 | N16 I20 | N16-K18 PolarHBondContact O-N 3.06Å; K18-I20 HydrophobicContact CB-CG1 4.33Å; K18-I20 PolarHBondContact O-N 3Å |
| 19 | G | 65.6 | Low | 63.4 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 72.6 | 8.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N16 A17 G21 | N16-G19 PolarHBondContact OD1-N 2.93Å; N16-G19 PolarHBondContact O-N 2.9Å; A17-G19 VanDerWaalsContact C-N 3.32Å; G19-G21 PolarHBondContact O-N 2.81Å |
| 20 | I | 67.8 | Low | 63.3 | Low | 124 Ų | 124 | 111.7 Ų | 111.7 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | | | trans | -91.4 | 89.2 | 179.1 | -43.2 | 179.7 | 0 | 0 | 0 | 107.6 | N16 K18 | N16-I20 VanDerWaalsContact OD1-CA 3.3Å; N16-I20 WeakPolarHBondContact OD1-CA 3.44Å; N16-I20 WeakPolarHBondContact OD1-CB 3.43Å; N16-I20 PolarHBondContact OD1-N 3.06Å; N16-I20 PolarHBondContact OD1-O 2.94Å; K18-I20 HydrophobicContact CB-CG1 4.33Å; K18-I20 PolarHBondContact O-N 3Å |
| 21 | G | 67.5 | Low | 63.3 | Low | 29 Ų | 29 | 110.3 Ų | 110.3 | 30% | 0.299 | 68% | 0.683 | S | S | . | * | B | Isolated β-bridge | trans | -81 | 161 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y14 G19 | Y14-G21 WeakPolarHBondContact O-CA 3.3Å; G19-G21 PolarHBondContact O-N 2.81Å |
| 22 | Y | 59.9 | Low | 63.3 | Low | 175 Ų | 175 | 112 Ų | 112 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.2 | 167.8 | -71.4 | -86.9 | 0 | 0 | 0 | 109.1 | | |
| 23 | P | 60.8 | Low | 63.1 | Low | 84 Ų | 84 | 110.6 Ų | 110.6 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 141.7 | -178.8 | 25 | -32.4 | 0 | 0 | 0 | 110 | G25 F26 | P23-G25 VanDerWaalsContact O-N 3.1Å; P23-G25 PolarHBondContact O-N 3.35Å; P23-F26 HydrophobicContact CG-CD2 3.81Å; P23-F26 HydrophobicContact CG-CE2 3.6Å |
| 24 | A | 59.9 | Low | 62.9 | Low | 115 Ų | 115 | 111.4 Ų | 111.4 | 95% | 0.95 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 115.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 25 | G | 59.7 | Low | 62.8 | Low | 78 Ų | 78 | 108.1 Ų | 108.1 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.9 | -11.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P23 | P23-G25 VanDerWaalsContact O-N 3.1Å; P23-G25 PolarHBondContact O-N 3.35Å |
| 26 | F | 55.9 | Low | 62.2 | Low | 136 Ų | 136 | 114.9 Ų | 114.9 | 60% | 0.596 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -73 | 131.2 | 165 | -79.1 | -80.2 | 0 | 0 | 0 | 109.5 | P23 V28 | P23-F26 HydrophobicContact CG-CD2 3.81Å; P23-F26 HydrophobicContact CG-CE2 3.6Å; F26-V28 PolarHBondContact O-N 3.47Å |
| 27 | P | 58.3 | Low | 62.1 | Low | 115 Ų | 115 | 116 Ų | 116 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | | | trans | -61.3 | 108.8 | -176.7 | 23 | -31.4 | 0 | 0 | 0 | 109.7 | G29 | P27-G29 VanDerWaalsContact C-N 3.25Å; P27-G29 PolarHBondContact O-N 3.19Å |
| 28 | V | 65.6 | Low | 61.7 | Low | 154 Ų | 154 | 113.1 Ų | 113.1 | 93% | 0.933 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -80.3 | 83.9 | 169.1 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | F26 | F26-V28 PolarHBondContact O-N 3.47Š|
| 29 | G | 67.6 | Low | 60.8 | Low | 49 Ų | 49 | 110.7 Ų | 110.7 | 51% | 0.505 | 70% | 0.697 | S | S | . | * | S | Bend | trans | 140.9 | 133.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | P27 A31 | P27-G29 VanDerWaalsContact C-N 3.25Å; P27-G29 PolarHBondContact O-N 3.19Å; G29-A31 PolarHBondContact O-N 2.91Å |
| 30 | Y | 53.8 | Low | 60.7 | Low | 230 Ų | 230 | 114.9 Ų | 114.9 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.9 | 164.5 | 9.9 | -90.9 | 0 | 0 | 0 | 107.9 | A32 | Y30-A32 PolarHBondContact O-N 3.14Š|
| 31 | A | 61.1 | Low | 60.1 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G29 A33 | G29-A31 PolarHBondContact O-N 2.91Å; A31-A33 PolarHBondContact O-N 3.14Å |
| 32 | A | 57.6 | Low | 59.2 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y30 | Y30-A32 PolarHBondContact O-N 3.14Š|
| 33 | A | 59.3 | Low | 59.1 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A31 | A31-A33 PolarHBondContact O-N 3.14Š|
| 34 | P | 60.6 | Low | 58.8 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 145.4 | 173.2 | -24.4 | 33.6 | 0 | 0 | 0 | 111 | Y36 | P34-Y36 PolarHBondContact O-N 3.37Å; P34-Y36 VanDerWaalsContact O-N 3.14Å |
| 35 | A | 61.8 | Low | 58.3 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 122.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S37 | A35-S37 PolarHBondContact O-N 3.32Å; A35-S37 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 56 | Low | 58 | Low | 202 Ų | 202 | 115.9 Ų | 115.9 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | | | trans | -64.5 | 115.5 | 175.8 | 178.6 | -105.6 | 0 | 0 | 0 | 108.9 | P34 P38 | P34-Y36 PolarHBondContact O-N 3.37Å; P34-Y36 VanDerWaalsContact O-N 3.14Å; Y36-P38 HydrophobicContact CE1-CB 3.88Å |
| 37 | S | 62.6 | Low | 57.6 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 51% | 0.51 | 70% | 0.703 | S | S | . | * | | | trans | -107.3 | 105.7 | 175.1 | -150.9 | 0 | 0 | 0 | 0 | 108.6 | A35 N39 M40 | A35-S37 PolarHBondContact O-N 3.32Å; A35-S37 VanDerWaalsContact O-N 3.14Å; S37-N39 PolarHBondContact O-N 3.07Å; S37-M40 WeakPolarHBondContact O-CG 3.39Å |
| 38 | P | 56.8 | Low | 57.3 | Low | 58 Ų | 58 | 117.9 Ų | 117.9 | 38% | 0.377 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -64.4 | -15.9 | -173.1 | 21.9 | -30.4 | 0 | 0 | 0 | 113 | Y36 M40 A44 | Y36-P38 HydrophobicContact CE1-CB 3.88Å; P38-M40 VanDerWaalsContact C-N 3.33Å; P38-M40 PolarHBondContact O-N 3.28Å; P38-A44 WeakPolarHBondContact O-CB 2.87Å |
| 39 | N | 58.7 | Low | 56.4 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -90.7 | 11.6 | -171.7 | -65.2 | 4.5 | 0 | 0 | 0 | 114.4 | S37 Y41 | S37-N39 PolarHBondContact O-N 3.07Å; N39-Y41 PolarHBondContact O-N 3.48Å |
| 40 | M | 63.9 | Low | 55.6 | Low | 152 Ų | 152 | 119.7 Ų | 119.7 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -73.8 | -11.5 | -177.4 | -69.4 | -92.7 | -83.3 | 0 | 0 | 113.6 | S37 P38 | S37-M40 WeakPolarHBondContact O-CG 3.39Å; P38-M40 VanDerWaalsContact C-N 3.33Å; P38-M40 PolarHBondContact O-N 3.28Å |
| 41 | Y | 54.8 | Low | 55.1 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 74% | 0.737 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -126 | 131.4 | 176.9 | -69.2 | -81.8 | 0 | 0 | 0 | 111.3 | N39 G43 A44 | N39-Y41 PolarHBondContact O-N 3.48Å; Y41-G43 PolarHBondContact O-N 3.19Å; Y41-A44 PolarHBondContact O-N 3.17Å |
| 42 | P | 49.5 | Very low | 54.4 | Low | 140 Ų | 140 | 114 Ų | 114 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 120 | 172.4 | -18.1 | 29.7 | 0 | 0 | 0 | 109.9 | | |
| 43 | G | 57.7 | Low | 53.5 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.3 | 3.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y41 N45 | Y41-G43 PolarHBondContact O-N 3.19Å; G43-N45 VanDerWaalsContact O-N 3.07Å; G43-N45 PolarHBondContact O-N 2.82Å |
| 44 | A | 53.8 | Low | 52.5 | Low | 41 Ų | 41 | 115.8 Ų | 115.8 | 34% | 0.339 | 68% | 0.679 | S | S | . | * | | | trans | -64.7 | 109.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P38 Y41 P46 | P38-A44 WeakPolarHBondContact O-CB 2.87Å; Y41-A44 PolarHBondContact O-N 3.17Å; A44-P46 WeakPolarHBondContact O-CD 3.38Å |
| 45 | N | 49.6 | Very low | 51.8 | Low | 86 Ų | 86 | 116.2 Ų | 116.2 | 46% | 0.46 | 68% | 0.682 | S | S | . | * | | | trans | -79.7 | 120.5 | -179.6 | -176.4 | -11.7 | 0 | 0 | 0 | 109.7 | G43 T47 F48 | G43-N45 VanDerWaalsContact O-N 3.07Å; G43-N45 PolarHBondContact O-N 2.82Å; N45-T47 PolarHBondContact O-N 2.94Å; N45-T47 WeakPolarHBondContact OD1-CB 3.16Å; N45-T47 PolarHBondContact OD1-N 2.77Å; N45-T47 PolarHBondContact OD1-OG1 3.26Å; N45-F48 HydrophobicContact CB-CD2 4.24Å; N45-F48 HydrophobicContact CB-CE2 4.39Å; N45-F48 PolarHBondContact O-N 3.38Å |
| 46 | P | 53.5 | Low | 51.1 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13.5 | 176.9 | -20.6 | 31.1 | 0 | 0 | 0 | 114.4 | A44 F48 Q49 | A44-P46 WeakPolarHBondContact O-CD 3.38Å; P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 PolarHBondContact O-N 3.4Å; P46-Q49 WeakPolarHBondContact O-CG 3.45Å |
| 47 | T | 47.8 | Very low | 50.6 | Low | 112 Ų | 112 | 114.4 Ų | 114.4 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14.2 | -175.1 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | N45 Q49 | N45-T47 PolarHBondContact O-N 2.94Å; N45-T47 WeakPolarHBondContact OD1-CB 3.16Å; N45-T47 PolarHBondContact OD1-N 2.77Å; N45-T47 PolarHBondContact OD1-OG1 3.26Å; T47-Q49 PolarHBondContact O-N 2.98Å |
| 48 | F | 51.9 | Low | 49.5 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | | | trans | -81.6 | 51.6 | 168.7 | -66.8 | -78.8 | 0 | 0 | 0 | 110.7 | N45 P46 T50 | N45-F48 HydrophobicContact CB-CD2 4.24Å; N45-F48 HydrophobicContact CB-CE2 4.39Å; N45-F48 PolarHBondContact O-N 3.38Å; P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 PolarHBondContact O-N 3.4Å; F48-T50 PolarHBondContact O-N 2.94Å |
| 49 | Q | 46.3 | Very low | 48.8 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | | | trans | -71.6 | 127.1 | 162.1 | -56.2 | -150.8 | 31.7 | 0 | 0 | 106.9 | P46 T47 D51 | P46-Q49 WeakPolarHBondContact O-CG 3.45Å; T47-Q49 PolarHBondContact O-N 2.98Å; Q49-D51 WeakPolarHBondContact CB-OD2 3.17Å; Q49-D51 PolarHBondContact O-N 2.97Å |
| 50 | T | 50.2 | Low | 48.4 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | trans | -75 | 59 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 108.5 | F48 G52 C53 | F48-T50 PolarHBondContact O-N 2.94Å; T50-G52 PolarHBondContact O-N 3.47Å; T50-C53 HydrophobicContact CG2-CB 3.56Å |
| 51 | D | 43.7 | Very low | 47.5 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 49.5 | 177.1 | -67.1 | -33.1 | 0 | 0 | 0 | 110.3 | Q49 | Q49-D51 WeakPolarHBondContact CB-OD2 3.17Å; Q49-D51 PolarHBondContact O-N 2.97Å |
| 52 | G | 47.4 | Very low | 47 | Very low | 65 Ų | 65 | 118.4 Ų | 118.4 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.2 | -9.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | T50 V54 | T50-G52 PolarHBondContact O-N 3.47Å; G52-V54 PolarHBondContact O-N 3.02Å |
| 53 | C | 37 | Very low | 46.9 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | | | trans | -90.4 | 89.8 | 170.2 | -62.6 | 0 | 0 | 0 | 0 | 109 | T50 | T50-C53 HydrophobicContact CG2-CB 3.56Š|
| 54 | V | 39.8 | Very low | 46.5 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | | | trans | -50.4 | 131.4 | 158.4 | -109.7 | 0 | 0 | 0 | 0 | 107.9 | G52 S56 | G52-V54 PolarHBondContact O-N 3.02Å; V54-S56 PolarHBondContact O-N 3.07Å |
| 55 | P | 44.3 | Very low | 45.7 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -78.3 | 65.9 | -174.7 | 32.5 | -35.1 | 0 | 0 | 0 | 109.9 | | |
| 56 | S | 47.7 | Very low | 45.5 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | -170.5 | 85.7 | 164.7 | -167.7 | 0 | 0 | 0 | 0 | 107.9 | V54 | V54-S56 PolarHBondContact O-N 3.07Š|
| 57 | E | 46.3 | Very low | 44.7 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -151.6 | 120.9 | 131.6 | -83.9 | -46.8 | 112.9 | 0 | 0 | 104.8 | C59 | E57-C59 PolarHBondContact O-N 2.76Š|
| 58 | K | 39.9 | Very low | 44.6 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -48.8 | 116.4 | -176.2 | -82.6 | 158.4 | 173.9 | -178.9 | 0 | 109.4 | L60 | K58-L60 HydrophobicContact CB-CG 4.15Å; K58-L60 PolarHBondContact O-N 2.96Å |
| 59 | C | 41.4 | Very low | 43.9 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | | | trans | -66.8 | 80.1 | 161 | -159.3 | 0 | 0 | 0 | 0 | 106.5 | E57 | E57-C59 PolarHBondContact O-N 2.76Š|
| 60 | L | 50.3 | Low | 44 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 127.9 | 168.1 | -70.4 | 170.1 | 0 | 0 | 0 | 105.8 | K58 | K58-L60 HydrophobicContact CB-CG 4.15Å; K58-L60 PolarHBondContact O-N 2.96Å |
| 61 | P | 44.7 | Very low | 43.5 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.8 | 168.4 | 26.6 | -31.8 | 0 | 0 | 0 | 106.8 | A63 | P61-A63 PolarHBondContact O-N 3.13Š|
| 62 | P | 45.3 | Very low | 43.5 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.3 | 174.7 | 22.6 | -30.1 | 0 | 0 | 0 | 107 | E64 | P62-E64 PolarHBondContact O-N 3.32Å; P62-E64 VanDerWaalsContact O-N 3.13Å |
| 63 | A | 45.5 | Very low | 43.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 124 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | P61 S65 | P61-A63 PolarHBondContact O-N 3.13Å; A63-S65 PolarHBondContact O-N 2.84Å |
| 64 | E | 49.8 | Very low | 43.8 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -46.3 | 103.8 | -177 | -75.3 | 176.1 | 121.8 | 0 | 0 | 110.4 | P62 I66 | P62-E64 PolarHBondContact O-N 3.32Å; P62-E64 VanDerWaalsContact O-N 3.13Å; E64-I66 PolarHBondContact O-N 2.65Å |
| 65 | S | 36.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -89.6 | 92.6 | 166 | -162.2 | 0 | 0 | 0 | 0 | 107.3 | A63 R67 | A63-S65 PolarHBondContact O-N 2.84Å; S65-R67 PolarHBondContact O-N 3.14Å; S65-R67 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 45.7 | Very low | 43.8 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -55.2 | 111.1 | 164.5 | -61.1 | 169.4 | 0 | 0 | 0 | 107.9 | E64 | E64-I66 PolarHBondContact O-N 2.65Š|
| 67 | R | 36.1 | Very low | 43.6 | Very low | 225 Ų | 225 | 143.5 Ų | 143.5 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | | | trans | -169.3 | 146.5 | 135.9 | -103.5 | 179.8 | -77.6 | -141.1 | 6.9 | 111.3 | S65 | S65-R67 PolarHBondContact O-N 3.14Å; S65-R67 VanDerWaalsContact O-N 3.14Å |
| 68 | P | 46.7 | Very low | 43.5 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -87.6 | 170.2 | -162.8 | 36.9 | -34.6 | 0 | 0 | 0 | 112.6 | | |
| 69 | A | 37 | Very low | 43.4 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 86.7 | 98.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 70 | R | 48 | Very low | 43.7 | Very low | 246 Ų | 246 | 135.8 Ų | 135.8 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | | | | 29.8 | 130.9 | 123.8 | -68.4 | -176.5 | 164.3 | 165 | -3.4 | 117 | | |
| 71 | H | 40.1 | Very low | 43.3 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | trans | 94.1 | 109.3 | 152.4 | -121.8 | -118.8 | 0 | 0 | 0 | 115.3 | | |
| 72 | V | 44.1 | Very low | 43 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | | | | 92.6 | 116.4 | 125.1 | 152.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 73 | L | 44 | Very low | 43.2 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | trans | 93.2 | 119.9 | 150 | -59.1 | 160.3 | 0 | 0 | 0 | 118.4 | | |
| 74 | H | 47.4 | Very low | 43 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 66.5 | 90.8 | 134.5 | -56.6 | 174 | 0 | 0 | 0 | 116.3 | | |
| 75 | T | 36.4 | Very low | 42.5 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -123.3 | 89.6 | 150.2 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | S77 | T75-S77 VanDerWaalsContact C-N 3.35Å; T75-S77 PolarHBondContact O-N 2.82Å |
| 76 | T | 47.5 | Very low | 42.6 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -45.7 | 102.8 | 156.3 | 45.5 | 0 | 0 | 0 | 0 | 107.8 | V78 | T76-V78 WeakPolarHBondContact O-CG2 3.37Å; T76-V78 PolarHBondContact O-N 2.91Å |
| 77 | S | 42.4 | Very low | 43.4 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -67.3 | 104.6 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 106.4 | T75 C79 | T75-S77 VanDerWaalsContact C-N 3.35Å; T75-S77 PolarHBondContact O-N 2.82Å; S77-C79 VanDerWaalsContact C-N 3.32Å; S77-C79 PolarHBondContact O-N 2.92Å |
| 78 | V | 43.9 | Very low | 43.6 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | -67.9 | 90.2 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 107 | T76 S80 | T76-V78 WeakPolarHBondContact O-CG2 3.37Å; T76-V78 PolarHBondContact O-N 2.91Å; V78-S80 PolarHBondContact O-N 3Å |
| 79 | C | 37.8 | Very low | 43.4 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -68.6 | 88.4 | 158.7 | -85.8 | 0 | 0 | 0 | 0 | 107.3 | S77 T81 | S77-C79 VanDerWaalsContact C-N 3.32Å; S77-C79 PolarHBondContact O-N 2.92Å; C79-T81 VanDerWaalsContact C-N 3.26Å; C79-T81 PolarHBondContact O-N 2.92Å |
| 80 | S | 48.8 | Very low | 43.4 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -57.5 | 85.9 | 168.5 | -64 | 0 | 0 | 0 | 0 | 110.3 | V78 S82 | V78-S80 PolarHBondContact O-N 3Å; S80-S82 PolarHBondContact O-N 3.2Å |
| 81 | T | 40.6 | Very low | 42.8 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -89.1 | 96.3 | 156.1 | 40.3 | 0 | 0 | 0 | 0 | 107.3 | C79 S83 | C79-T81 VanDerWaalsContact C-N 3.26Å; C79-T81 PolarHBondContact O-N 2.92Å; T81-S83 PolarHBondContact O-N 3.49Å |
| 82 | S | 39.2 | Very low | 42.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -65.3 | 111.9 | 169.9 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | S80 | S80-S82 PolarHBondContact O-N 3.2Š|
| 83 | S | 48.6 | Very low | 42.6 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | trans | 60.5 | 114.6 | 140.1 | -160.7 | 0 | 0 | 0 | 0 | 119.5 | T81 | T81-S83 PolarHBondContact O-N 3.49Š|
| 84 | R | 42.3 | Very low | 42.6 | Very low | 246 Ų | 246 | 133.1 Ų | 133.1 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | | | | -153 | 121.8 | 116.5 | -105.9 | -175.8 | -76.4 | -154.3 | 3.2 | 111.2 | | |
| 85 | H | 39.2 | Very low | 42.3 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | | | trans | -50.1 | 141.5 | 171.1 | -108.8 | -5.8 | 0 | 0 | 0 | 113.8 | | |
| 86 | S | 39.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | | -167 | 127.6 | 125.5 | -105 | 0 | 0 | 0 | 0 | 110.7 | | |
| 87 | P | 62.5 | Low | 42.3 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 61% | 0.61 | 83% | 0.825 | S | S | * | * | | | trans | -86.5 | 140.6 | 162.9 | 34.2 | -26.9 | 0 | 0 | 0 | 108.5 | | |
| 88 | H | 39.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | | | trans | 174.8 | 130.8 | 147.1 | -97.1 | -66.2 | 0 | 0 | 0 | 112.8 | | |
| 89 | H | 41.7 | Very low | 42.2 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | | | trans | 71.6 | 113.7 | 149.9 | -67.6 | -67.2 | 0 | 0 | 0 | 122.5 | | |
| 90 | G | 36.8 | Very low | 42.5 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | | | | 101.2 | 110.8 | 109.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 91 | G | 37.2 | Very low | 42 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 85% | 0.854 | S | S | * | * | | | trans | 72.7 | 116.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 92 | A | 37.2 | Very low | 42.2 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 100% | 1.504 | 86% | 0.855 | S | S | * | * | | | | -169.3 | 0 | 109.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |