| 1 | R | 48 | Very low | 56.9 | Low | 303 Ų | 303 | 149.8 Ų | 149.8 | 100% | 1.143 | 86% | 0.857 | S | S | * | * | | | | 0 | 85.8 | 0 | -57.5 | -177.5 | -153.7 | -138.2 | 4.4 | 106.7 | | |
| 2 | G | 50.3 | Low | 57 | Low | 81 Ų | 81 | 143.8 Ų | 143.8 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | | | trans | -84.2 | 127 | -177 | 0 | 0 | 0 | 0 | 0 | 109.9 | G4 | G2-G4 VanDerWaalsContact O-N 3.16Å; G2-G4 PolarHBondContact O-N 3.32Å |
| 3 | V | 55.2 | Low | 57.2 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | | | trans | -78.1 | 97.2 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 4 | G | 57.9 | Low | 57.5 | Low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 86% | 0.855 | S | S | * | * | | | trans | -80.3 | 121.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G2 | G2-G4 VanDerWaalsContact O-N 3.16Å; G2-G4 PolarHBondContact O-N 3.32Å |
| 5 | K | 51.2 | Low | 57.5 | Low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | | | trans | 40.1 | 102.2 | 140.8 | -84.7 | 167.4 | 167.8 | 171.7 | 0 | 118.2 | | |
| 6 | E | 57.1 | Low | 58.1 | Low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 83% | 0.833 | S | S | * | * | | | | 60 | 88.5 | 117.3 | -163.8 | 165 | -173.3 | 0 | 0 | 116.8 | S8 | E6-S8 WeakPolarHBondContact CG-OG 3.4Å; E6-S8 PolarHBondContact O-N 3.1Å; E6-S8 PolarHBondContact OE1-OG 2.96Å |
| 7 | A | 57.9 | Low | 58.6 | Low | 111 Ų | 111 | 136.7 Ų | 136.7 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | | | trans | -77.4 | 62 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K9 | A7-K9 PolarHBondContact O-N 3.03Š|
| 8 | S | 63.9 | Low | 59.2 | Low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 83% | 0.826 | S | S | * | * | | | trans | -90 | 72.5 | 168.8 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | E6 | E6-S8 WeakPolarHBondContact CG-OG 3.4Å; E6-S8 PolarHBondContact O-N 3.1Å; E6-S8 PolarHBondContact OE1-OG 2.96Å |
| 9 | K | 62 | Low | 59.6 | Low | 209 Ų | 209 | 137.4 Ų | 137.4 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -140.5 | 85.1 | 165.7 | -86.2 | -156.2 | 173.1 | -173.5 | 0 | 111.9 | A7 | A7-K9 PolarHBondContact O-N 3.03Š|
| 10 | A | 61.1 | Low | 60.2 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -161.6 | 50.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G12 | A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.96Å |
| 11 | L | 61.8 | Low | 60.6 | Low | 188 Ų | 188 | 135 Ų | 135 | 98% | 0.984 | 81% | 0.811 | S | S | * | * | | | trans | -97.4 | 69.9 | 162.5 | -164.8 | 73.5 | 0 | 0 | 0 | 108.3 | | |
| 12 | G | 57.7 | Low | 61.7 | Low | 77 Ų | 77 | 125.1 Ų | 125.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -136.1 | 41.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A10 | A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.96Å |
| 13 | A | 60 | Low | 62.9 | Low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -143.2 | 83.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G15 | A13-G15 PolarHBondContact O-N 2.88Š|
| 14 | K | 60.5 | Low | 63.6 | Low | 224 Ų | 224 | 127.9 Ų | 127.9 | 97% | 0.974 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 52.6 | 166.3 | -126.9 | -91.6 | -171.4 | 179.9 | 0 | 108.5 | | |
| 15 | G | 57.7 | Low | 64.4 | Low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | | | trans | -93.6 | 124.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | A13 C17 | A13-G15 PolarHBondContact O-N 2.88Å; G15-C17 VanDerWaalsContact C-N 3.27Å; G15-C17 PolarHBondContact O-N 3.04Å |
| 16 | S | 67.4 | Low | 65.9 | Low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -54.6 | 100 | 166 | 174.1 | 0 | 0 | 0 | 0 | 107.1 | E18 | S16-E18 PolarHBondContact O-N 3.25Š|
| 17 | C | 66.3 | Low | 66.9 | Low | 113 Ų | 113 | 124 Ų | 124 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -73.3 | 86.9 | 173.8 | -161.7 | 0 | 0 | 0 | 0 | 105.4 | G15 T19 | G15-C17 VanDerWaalsContact C-N 3.27Å; G15-C17 PolarHBondContact O-N 3.04Å; C17-T19 PolarHBondContact O-N 3.2Å |
| 18 | E | 69.8 | Low | 68 | Low | 165 Ų | 165 | 123.8 Ų | 123.8 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | | | trans | -68 | 93.2 | 171.1 | -153.7 | 162.2 | 178.8 | 0 | 0 | 105.8 | S16 T20 | S16-E18 PolarHBondContact O-N 3.25Å; E18-T20 PolarHBondContact O-N 2.99Å |
| 19 | T | 67.3 | Low | 68.9 | Low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -65 | 88.2 | 173.5 | -57.9 | 0 | 0 | 0 | 0 | 106.4 | C17 P21 | C17-T19 PolarHBondContact O-N 3.2Å; T19-P21 WeakPolarHBondContact O-CD 3.29Å |
| 20 | T | 71.9 | Confident | 69.9 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | | | trans | -53.6 | 126.2 | 166.2 | 54.9 | 0 | 0 | 0 | 0 | 106.5 | E18 S22 | E18-T20 PolarHBondContact O-N 2.99Å; T20-S22 PolarHBondContact O-N 2.92Å |
| 21 | P | 68.1 | Low | 71.1 | Confident | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -58.5 | 113.9 | 171.4 | 22.1 | -29.3 | 0 | 0 | 0 | 106.7 | T19 R23 | T19-P21 WeakPolarHBondContact O-CD 3.29Å; P21-R23 PolarHBondContact O-N 3.16Å |
| 22 | S | 71.6 | Confident | 72 | Confident | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | trans | -56.2 | 107.7 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 107.4 | T20 G24 | T20-S22 PolarHBondContact O-N 2.92Å; S22-G24 PolarHBondContact O-N 2.87Å; S22-G24 PolarHBondContact OG-O 2.87Å |
| 23 | R | 74 | Confident | 73.5 | Confident | 253 Ų | 253 | 131.8 Ų | 131.8 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -66.5 | -2.9 | 178.3 | -78.2 | -178.3 | 45 | 146.4 | -0.7 | 113.2 | P21 | P21-R23 PolarHBondContact O-N 3.16Š|
| 24 | G | 70.8 | Confident | 74.6 | Confident | 42 Ų | 42 | 136.8 Ų | 136.8 | 43% | 0.433 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -99.4 | 116.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S22 T26 | S22-G24 PolarHBondContact O-N 2.87Å; S22-G24 PolarHBondContact OG-O 2.87Å; G24-T26 PolarHBondContact O-N 2.79Å |
| 25 | S | 75.2 | Confident | 75.7 | Confident | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 122.5 | 156.1 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | P27 | S25-P27 WeakPolarHBondContact O-CD 3.48Š|
| 26 | T | 81.4 | Confident | 77.1 | Confident | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 118.8 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 107.8 | G24 T28 | G24-T26 PolarHBondContact O-N 2.79Å; T26-T28 PolarHBondContact O-N 2.88Å |
| 27 | P | 78.8 | Confident | 77.7 | Confident | 104 Ų | 104 | 143 Ų | 143 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 117.6 | 178.8 | 24.4 | -31.8 | 0 | 0 | 0 | 107.7 | S25 L29 | S25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-L29 PolarHBondContact O-N 2.79Å |
| 28 | T | 81 | Confident | 77.9 | Confident | 106 Ų | 106 | 151.1 Ų | 151.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.2 | 178 | -47.3 | 0 | 0 | 0 | 0 | 108.6 | T26 T30 | T26-T28 PolarHBondContact O-N 2.88Å; T28-T30 PolarHBondContact O-N 2.94Å; T28-T30 WeakPolarHBondContact CG2-OG1 3.13Å; T28-T30 VanDerWaalsContact CG2-OG1 3.29Å; T28-T30 HydrophobicContact CG2-CG2 3.77Å |
| 29 | L | 83.4 | Confident | 78.3 | Confident | 174 Ų | 174 | 150.5 Ų | 150.5 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | -76.7 | 27.9 | 179.6 | -60.5 | 179.8 | 0 | 0 | 0 | 112.9 | P27 | P27-L29 PolarHBondContact O-N 2.79Š|
| 30 | T | 83.2 | Confident | 78.9 | Confident | 92 Ų | 92 | 152 Ų | 152 | 56% | 0.564 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -93 | 144.1 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | T28 R32 | T28-T30 PolarHBondContact O-N 2.94Å; T28-T30 WeakPolarHBondContact CG2-OG1 3.13Å; T28-T30 VanDerWaalsContact CG2-OG1 3.29Å; T28-T30 HydrophobicContact CG2-CG2 3.77Å; T30-R32 PolarHBondContact O-N 3.46Å |
| 31 | P | 84.3 | Confident | 79.3 | Confident | 137 Ų | 137 | 154.3 Ų | 154.3 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -55.8 | 106.9 | 170.9 | -24.7 | 34.2 | 0 | 0 | 0 | 109.9 | | |
| 32 | R | 82.5 | Confident | 79.9 | Confident | 226 Ų | 226 | 156.7 Ų | 156.7 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -88.2 | 132.2 | 176.9 | -166.3 | 175.1 | -177.8 | -172.3 | 2 | 109 | T30 K34 | T30-R32 PolarHBondContact O-N 3.46Å; R32-K34 PolarHBondContact O-N 3.3Å |
| 33 | K | 88.1 | Confident | 80.5 | Confident | 201 Ų | 201 | 160.5 Ų | 160.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -55.2 | 112.9 | 171.3 | -174.4 | 178.6 | -179.5 | -177.5 | 0 | 109.3 | | |
| 34 | K | 83.9 | Confident | 80.9 | Confident | 199 Ų | 199 | 154.3 Ų | 154.3 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -83 | 126.6 | 169.4 | -66.9 | 175.2 | -176.6 | -90.3 | 0 | 107.6 | R32 | R32-K34 PolarHBondContact O-N 3.3Š|
| 35 | N | 84 | Confident | 81.6 | Confident | 97 Ų | 97 | 162.4 Ų | 162.4 | 52% | 0.519 | 80% | 0.795 | S | S | . | * | | | trans | -72.5 | 129.6 | 175.4 | -179.4 | -8.6 | 0 | 0 | 0 | 108.4 | Y37 R38 | N35-Y37 PolarHBondContact O-N 3.01Å; N35-Y37 VanDerWaalsContact O-N 3.1Å; N35-Y37 PolarHBondContact OD1-N 2.97Å; N35-R38 HydrophobicContact CB-CB 4.49Å; N35-R38 HydrophobicContact CB-CG 4.41Å; N35-R38 PolarHBondContact O-N 3.16Å |
| 36 | K | 85.7 | Confident | 82.1 | Confident | 219 Ų | 219 | 166.2 Ų | 166.2 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -19.5 | 177.3 | -170.7 | 178.4 | 179.9 | -173 | 0 | 113.7 | | |
| 37 | Y | 81.5 | Confident | 82.2 | Confident | 208 Ų | 208 | 170.5 Ų | 170.5 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 2.3 | -173.5 | -168.3 | -102.9 | 0 | 0 | 0 | 114.5 | N35 | N35-Y37 PolarHBondContact O-N 3.01Å; N35-Y37 VanDerWaalsContact O-N 3.1Å; N35-Y37 PolarHBondContact OD1-N 2.97Å |
| 38 | R | 69.6 | Low | 82.5 | Confident | 283 Ų | 283 | 176.5 Ų | 176.5 | 100% | 1.068 | 82% | 0.815 | S | S | * | * | | | trans | -99.5 | 0 | 171.2 | -79.8 | -169.7 | 173.2 | -166.2 | -1.1 | 110.5 | N35 | N35-R38 HydrophobicContact CB-CB 4.49Å; N35-R38 HydrophobicContact CB-CG 4.41Å; N35-R38 PolarHBondContact O-N 3.16Å |