| 1 | F | 60 | Low | 84 | Confident | 262 Ų | 262 | 125 Ų | 125 | 100% | 1.149 | 61% | 0.606 | S | S | * | * | | | | 0 | 85.5 | 0 | -73.8 | -93.8 | 0 | 0 | 0 | 108.5 | | |
| 2 | S | 84.5 | Confident | 84.2 | Confident | 62 Ų | 62 | 127.7 Ų | 127.7 | 43% | 0.434 | 61% | 0.612 | S | S | . | * | | | trans | -70 | 155.9 | -174.8 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | D4 K5 L6 | S2-D4 PolarHBondContact O-N 2.95Å; S2-K5 PolarHBondContact O-N 3.37Å; S2-K5 VanDerWaalsContact O-N 3.11Å; S2-L6 PolarHBondContact O-N 3.41Å |
| 3 | S | 83.1 | Confident | 84.3 | Confident | 75 Ų | 75 | 128.2 Ų | 128.2 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -52.5 | -32.3 | 172.8 | 47 | 0 | 0 | 0 | 0 | 112.7 | K5 L6 K7 | S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.46Å; S3-L6 WeakPolarHBondContact O-CA 3.46Å; S3-L6 WeakPolarHBondContact O-CB 3.49Å; S3-L6 PolarHBondContact O-N 2.93Å; S3-L6 VanDerWaalsContact O-N 3.08Å; S3-K7 PolarHBondContact O-N 3.22Å |
| 4 | D | 86.6 | Confident | 84 | Confident | 107 Ų | 107 | 124.6 Ų | 124.6 | 57% | 0.572 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67 | -37 | -178.9 | -58.4 | -23.3 | 0 | 0 | 0 | 111.9 | S2 L6 K7 A8 | S2-D4 PolarHBondContact O-N 2.95Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 3.13Å; D4-K7 PolarHBondContact O-N 3.01Å; D4-A8 PolarHBondContact O-N 3.12Å; D4-A8 WeakPolarHBondContact O-CB 3.19Å; D4-A8 VanDerWaalsContact O-CB 3.28Å |
| 5 | K | 86.7 | Confident | 83.8 | Confident | 154 Ų | 154 | 131.3 Ų | 131.3 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.3 | -30.9 | 173.6 | -62.9 | -66.2 | -175.3 | 179.2 | 0 | 111.4 | S2 S3 R9 | S2-K5 PolarHBondContact O-N 3.37Å; S2-K5 VanDerWaalsContact O-N 3.11Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.46Å; K5-R9 VanDerWaalsContact O-CB 3.25Å; K5-R9 WeakPolarHBondContact O-CB 3.25Å; K5-R9 PolarHBondContact O-N 3.45Å; K5-R9 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 85.8 | Confident | 83.7 | Confident | 104 Ų | 104 | 134.6 Ų | 134.6 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.7 | -45.7 | 176 | -174.9 | 63.4 | 0 | 0 | 0 | 111.3 | S2 S3 D4 R9 K10 | S2-L6 PolarHBondContact O-N 3.41Å; S3-L6 WeakPolarHBondContact O-CA 3.46Å; S3-L6 WeakPolarHBondContact O-CB 3.49Å; S3-L6 PolarHBondContact O-N 2.93Å; S3-L6 VanDerWaalsContact O-N 3.08Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 3.32Å; L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.34Å; L6-K10 PolarHBondContact O-N 2.93Å; L6-K10 VanDerWaalsContact O-N 3.11Å |
| 7 | K | 87.7 | Confident | 83.4 | Confident | 133 Ų | 133 | 136.4 Ų | 136.4 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.8 | -49.3 | 175.5 | -68.8 | 180 | -179.6 | 179.8 | 0 | 111.6 | S3 D4 R9 K10 E11 | S3-K7 PolarHBondContact O-N 3.22Å; D4-K7 PolarHBondContact O-N 3.01Å; K7-R9 VanDerWaalsContact C-N 3.26Å; K7-R9 PolarHBondContact O-N 2.99Å; K7-K10 PolarHBondContact O-N 3.04Å; K7-E11 WeakPolarHBondContact O-CG 3.28Å; K7-E11 PolarHBondContact O-N 3.19Å |
| 8 | A | 89.3 | Confident | 83.1 | Confident | 43 Ų | 43 | 132.9 Ų | 132.9 | 36% | 0.355 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.2 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D4 K12 | D4-A8 PolarHBondContact O-N 3.12Å; D4-A8 WeakPolarHBondContact O-CB 3.19Å; D4-A8 VanDerWaalsContact O-CB 3.28Å; A8-K12 WeakPolarHBondContact O-CB 3.31Å; A8-K12 WeakPolarHBondContact O-CG 3.41Å; A8-K12 PolarHBondContact O-N 3.17Å; A8-K12 VanDerWaalsContact O-N 3.16Å |
| 9 | R | 87.6 | Confident | 82.7 | Confident | 166 Ų | 166 | 131.6 Ų | 131.6 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -30.2 | 176.8 | -173.1 | 172.7 | 131.4 | 173.6 | -1.9 | 112.5 | K5 L6 K7 K13 | K5-R9 VanDerWaalsContact O-CB 3.25Å; K5-R9 WeakPolarHBondContact O-CB 3.25Å; K5-R9 PolarHBondContact O-N 3.45Å; K5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 3.32Å; K7-R9 VanDerWaalsContact C-N 3.26Å; K7-R9 PolarHBondContact O-N 2.99Å; R9-K13 WeakPolarHBondContact O-CG 3.1Å; R9-K13 PolarHBondContact O-N 3.15Å |
| 10 | K | 87.7 | Confident | 81.4 | Confident | 143 Ų | 143 | 138.7 Ų | 138.7 | 62% | 0.622 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.4 | -43.4 | 175.7 | -68.7 | -74.8 | -177.7 | 167.9 | 0 | 111.3 | L6 K7 K12 K13 S14 | L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.34Å; L6-K10 PolarHBondContact O-N 2.93Å; L6-K10 VanDerWaalsContact O-N 3.11Å; K7-K10 PolarHBondContact O-N 3.04Å; K10-K12 PolarHBondContact O-N 3.43Å; K10-K13 PolarHBondContact O-N 3.36Å; K10-K13 VanDerWaalsContact O-N 3.13Å; K10-S14 PolarHBondContact O-N 3.11Å; K10-S14 PolarHBondContact O-OG 3.41Å |
| 11 | E | 85.4 | Confident | 81.4 | Confident | 126 Ų | 126 | 138.7 Ų | 138.7 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61 | -40.7 | 175.3 | -70.9 | 173.7 | -168.8 | 0 | 0 | 112.6 | K7 K13 S14 R15 | K7-E11 WeakPolarHBondContact O-CG 3.28Å; K7-E11 PolarHBondContact O-N 3.19Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.16Å; E11-S14 WeakPolarHBondContact CA-OG 3.49Å; E11-S14 VanDerWaalsContact O-OG 3.04Å; E11-S14 PolarHBondContact O-OG 3.46Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 PolarHBondContact O-N 3.41Å |
| 12 | K | 85.6 | Confident | 82.5 | Confident | 157 Ų | 157 | 132.2 Ų | 132.2 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.1 | -30.6 | 174.6 | -77.3 | -177 | 178.8 | -171.7 | 0 | 113.5 | A8 K10 K16 | A8-K12 WeakPolarHBondContact O-CB 3.31Å; A8-K12 WeakPolarHBondContact O-CG 3.41Å; A8-K12 PolarHBondContact O-N 3.17Å; A8-K12 VanDerWaalsContact O-N 3.16Å; K10-K12 PolarHBondContact O-N 3.43Å; K12-K16 WeakPolarHBondContact O-CG 3.36Å |
| 13 | K | 85.8 | Confident | 82.4 | Confident | 134 Ų | 134 | 136.1 Ų | 136.1 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.3 | -40.9 | 177.8 | -76.8 | -175 | 175.1 | -157.6 | 0 | 111.8 | R9 K10 E11 R15 K16 Q17 | R9-K13 WeakPolarHBondContact O-CG 3.1Å; R9-K13 PolarHBondContact O-N 3.15Å; K10-K13 PolarHBondContact O-N 3.36Å; K10-K13 VanDerWaalsContact O-N 3.13Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.16Å; K13-R15 VanDerWaalsContact C-N 3.35Å; K13-K16 PolarHBondContact O-N 3.08Å; K13-Q17 PolarHBondContact O-N 3.11Å |
| 14 | S | 80.6 | Confident | 82.4 | Confident | 78 Ų | 78 | 139.7 Ų | 139.7 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | K10 E11 K16 Q17 | K10-S14 PolarHBondContact O-N 3.11Å; K10-S14 PolarHBondContact O-OG 3.41Å; E11-S14 WeakPolarHBondContact CA-OG 3.49Å; E11-S14 VanDerWaalsContact O-OG 3.04Å; E11-S14 PolarHBondContact O-OG 3.46Å; S14-K16 PolarHBondContact O-N 3.46Å; S14-K16 VanDerWaalsContact O-N 3.12Å; S14-Q17 PolarHBondContact O-N 2.95Å; S14-Q17 VanDerWaalsContact O-N 3.15Å |
| 15 | R | 81.4 | Confident | 82.1 | Confident | 226 Ų | 226 | 141.8 Ų | 141.8 | 85% | 0.853 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9.2 | 174.8 | -166.6 | 173.5 | -179.6 | 145.9 | 2.5 | 114.3 | E11 K13 | E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 PolarHBondContact O-N 3.41Å; K13-R15 VanDerWaalsContact C-N 3.35Å |
| 16 | K | 81.1 | Confident | 81.8 | Confident | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -1.2 | 177.8 | -66.9 | -69.3 | -176.7 | -176.3 | 0 | 112.8 | K12 K13 S14 | K12-K16 WeakPolarHBondContact O-CG 3.36Å; K13-K16 PolarHBondContact O-N 3.08Å; S14-K16 PolarHBondContact O-N 3.46Å; S14-K16 VanDerWaalsContact O-N 3.12Å |
| 17 | Q | 79.7 | Confident | 81.5 | Confident | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -85.2 | 124 | 170.5 | -138 | 162.9 | 65.9 | 0 | 0 | 107.4 | K13 S14 | K13-Q17 PolarHBondContact O-N 3.11Å; S14-Q17 PolarHBondContact O-N 2.95Å; S14-Q17 VanDerWaalsContact O-N 3.15Å |
| 18 | A | 76.8 | Confident | 81.1 | Confident | 74 Ų | 74 | 144.4 Ų | 144.4 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | | | trans | -57.9 | 149.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y20 | A18-Y20 PolarHBondContact O-N 3.13Š|
| 19 | P | 76.5 | Confident | 80.4 | Confident | 108 Ų | 108 | 152.8 Ų | 152.8 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | | | trans | -29.3 | -72.4 | 172.7 | 48.4 | -30.8 | 0 | 0 | 0 | 115 | | |
| 20 | Y | 56.6 | Low | 79.7 | Confident | 273 Ų | 273 | 151.6 Ų | 151.6 | 100% | 1.071 | 71% | 0.712 | S | S | * | * | | | cis | 43.6 | 0 | -36.6 | 59.3 | -90.3 | 0 | 0 | 0 | 118 | A18 | A18-Y20 PolarHBondContact O-N 3.13Š|