| 1 | M | 58.5 | Low | 82.8 | Confident | 235 Ų | 235 | 142.6 Ų | 142.6 | 100% | 1.158 | 69% | 0.693 | S | S | * | * | | | | 0 | -11.2 | 0 | -98 | 171.3 | 169.2 | 0 | 0 | 113.9 | G3 | M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact C-N 3.33Å |
| 2 | E | 62 | Low | 83.8 | Confident | 181 Ų | 181 | 137.4 Ų | 137.4 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -14.5 | -174 | -76.6 | 173 | 128.2 | 0 | 0 | 117.3 | | |
| 3 | G | 74.7 | Confident | 84.3 | Confident | 45 Ų | 45 | 134.3 Ų | 134.3 | 46% | 0.464 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -80.3 | -18.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | M1 K7 | M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact C-N 3.33Å; G3-K7 WeakPolarHBondContact O-CG 3.41Å; G3-K7 PolarHBondContact O-N 3.3Å |
| 4 | K | 79.1 | Confident | 84.8 | Confident | 170 Ų | 170 | 136.6 Ų | 136.6 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77 | -41.6 | -173.8 | -75.6 | -175.1 | 178.8 | -179.7 | 0 | 112.3 | K7 Q8 | K4-K7 PolarHBondContact O-N 3.29Å; K4-Q8 PolarHBondContact O-N 3.21Å |
| 5 | I | 86.2 | Confident | 85.1 | Confident | 125 Ų | 125 | 136.9 Ų | 136.9 | 64% | 0.641 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.1 | -46.2 | -179.6 | -63.6 | 172 | 0 | 0 | 0 | 110.2 | K7 Q8 L9 | I5-K7 VanDerWaalsContact C-N 3.29Å; I5-K7 PolarHBondContact O-N 3.41Å; I5-Q8 PolarHBondContact O-N 3.09Å; I5-Q8 VanDerWaalsContact O-N 3.09Å; I5-L9 PolarHBondContact O-N 3.09Å |
| 6 | N | 88.3 | Confident | 85.3 | Confident | 115 Ų | 115 | 134.3 Ų | 134.3 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.7 | -36.5 | 178.5 | -110.7 | 4.1 | 0 | 0 | 0 | 113.2 | K10 | N6-K10 WeakPolarHBondContact O-CB 3.36Å; N6-K10 PolarHBondContact O-N 3.44Å |
| 7 | K | 91.3 | Very high | 85.3 | Confident | 154 Ų | 154 | 131 Ų | 131 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 175.5 | -77.8 | 178.6 | -179.8 | -178.9 | 0 | 112.4 | G3 K4 I5 K11 | G3-K7 WeakPolarHBondContact O-CG 3.41Å; G3-K7 PolarHBondContact O-N 3.3Å; K4-K7 PolarHBondContact O-N 3.29Å; I5-K7 VanDerWaalsContact C-N 3.29Å; I5-K7 PolarHBondContact O-N 3.41Å; K7-K11 WeakPolarHBondContact O-CG 3.46Å; K7-K11 PolarHBondContact O-N 3.43Å |
| 8 | Q | 92.3 | Very high | 85.3 | Confident | 136 Ų | 136 | 131.8 Ų | 131.8 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -45.6 | 176.3 | -74.6 | -178.3 | -24.3 | 0 | 0 | 111 | K4 I5 K10 K11 V12 | K4-Q8 PolarHBondContact O-N 3.21Å; I5-Q8 PolarHBondContact O-N 3.09Å; I5-Q8 VanDerWaalsContact O-N 3.09Å; Q8-K10 VanDerWaalsContact C-N 3.35Å; Q8-K10 PolarHBondContact O-N 3.18Å; Q8-K11 VanDerWaalsContact O-N 3.11Å; Q8-K11 PolarHBondContact O-N 3.32Å; Q8-K11 WeakPolarHBondContact O-CB 3.49Å; Q8-V12 PolarHBondContact O-N 3.11Å; Q8-V12 WeakPolarHBondContact O-CG2 3.39Å |
| 9 | L | 92.5 | Very high | 85 | Confident | 93 Ų | 93 | 131.8 Ų | 131.8 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -58.9 | -45.5 | 178.1 | -174.1 | 61.7 | 0 | 0 | 0 | 111.8 | I5 K11 V12 L13 | I5-L9 PolarHBondContact O-N 3.09Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CG-CD1 4.23Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.21Å |
| 10 | K | 92.5 | Very high | 84.5 | Confident | 164 Ų | 164 | 129.2 Ų | 129.2 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.4 | -36 | 176.8 | -169.7 | 173.4 | -175.9 | 173.8 | 0 | 113 | N6 Q8 K14 | N6-K10 WeakPolarHBondContact O-CB 3.36Å; N6-K10 PolarHBondContact O-N 3.44Å; Q8-K10 VanDerWaalsContact C-N 3.35Å; Q8-K10 PolarHBondContact O-N 3.18Å; K10-K14 PolarHBondContact O-N 3.02Å; K10-K14 WeakPolarHBondContact O-CB 3.47Å |
| 11 | K | 93.9 | Very high | 83.6 | Confident | 151 Ų | 151 | 130.1 Ų | 130.1 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69 | -42.1 | 176.8 | -76.6 | -179.7 | -179.5 | -175.1 | 0 | 111.9 | K7 Q8 L9 K14 K15 | K7-K11 WeakPolarHBondContact O-CG 3.46Å; K7-K11 PolarHBondContact O-N 3.43Å; Q8-K11 VanDerWaalsContact O-N 3.11Å; Q8-K11 PolarHBondContact O-N 3.32Å; Q8-K11 WeakPolarHBondContact O-CB 3.49Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.31Å; K11-K14 PolarHBondContact O-N 3.22Å; K11-K15 PolarHBondContact O-N 3.4Å |
| 12 | V | 93.9 | Very high | 84 | Confident | 80 Ų | 80 | 125 Ų | 125 | 49% | 0.485 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.7 | -49.2 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | Q8 L9 K14 K15 I16 | Q8-V12 PolarHBondContact O-N 3.11Å; Q8-V12 WeakPolarHBondContact O-CG2 3.39Å; L9-V12 PolarHBondContact O-N 3.39Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.03Å; V12-K15 WeakPolarHBondContact O-CB 3.49Å; V12-K15 PolarHBondContact O-N 3.06Å; V12-K15 VanDerWaalsContact O-N 3.09Å; V12-I16 PolarHBondContact O-N 3.31Å; V12-I16 VanDerWaalsContact O-N 3.07Å; V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å |
| 13 | L | 90.5 | Very high | 84.2 | Confident | 97 Ų | 97 | 121.8 Ų | 121.8 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.6 | -40.5 | 178.8 | -67.6 | 173.1 | 0 | 0 | 0 | 112.3 | L9 K15 I16 V17 | L9-L13 HydrophobicContact CG-CD1 4.23Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.21Å; L13-K15 PolarHBondContact O-N 2.93Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-V17 WeakPolarHBondContact O-CB 3.48Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.28Å; L13-V17 PolarHBondContact O-N 3.04Å |
| 14 | K | 91.1 | Very high | 83.8 | Confident | 167 Ų | 167 | 127.1 Ų | 127.1 | 73% | 0.726 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.2 | -33.5 | 177.5 | -169.6 | 172.9 | -178 | 178 | 0 | 112.9 | K10 K11 V12 K18 | K10-K14 PolarHBondContact O-N 3.02Å; K10-K14 WeakPolarHBondContact O-CB 3.47Å; K11-K14 PolarHBondContact O-N 3.22Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.03Å; K14-K18 VanDerWaalsContact O-N 3.11Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 WeakPolarHBondContact O-CB 3.42Å |
| 15 | K | 89.6 | Confident | 83.2 | Confident | 141 Ų | 141 | 123.8 Ų | 123.8 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.9 | -49.3 | 175.3 | -74.7 | -175.1 | 174.7 | -168.8 | 0 | 111.5 | K11 V12 L13 V17 K18 E19 | K11-K15 PolarHBondContact O-N 3.4Å; V12-K15 WeakPolarHBondContact O-CB 3.49Å; V12-K15 PolarHBondContact O-N 3.06Å; V12-K15 VanDerWaalsContact O-N 3.09Å; L13-K15 PolarHBondContact O-N 2.93Å; L13-K15 VanDerWaalsContact C-N 3.3Å; K15-V17 VanDerWaalsContact C-N 3.29Å; K15-V17 PolarHBondContact O-N 3.11Å; K15-K18 WeakPolarHBondContact O-CB 3.24Å; K15-K18 PolarHBondContact O-N 2.86Å; K15-E19 WeakPolarHBondContact O-CG 3.5Å; K15-E19 PolarHBondContact O-N 3.07Å |
| 16 | I | 88.1 | Confident | 82.3 | Confident | 94 Ų | 94 | 123.9 Ų | 123.9 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -56.5 | -46.5 | 178 | -65.2 | 168.9 | 0 | 0 | 0 | 110.4 | V12 L13 K18 E19 A20 | V12-I16 PolarHBondContact O-N 3.31Å; V12-I16 VanDerWaalsContact O-N 3.07Å; V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; L13-I16 PolarHBondContact O-N 3.35Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.35Å; I16-E19 PolarHBondContact O-N 3.4Å; I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.46Å; I16-A20 VanDerWaalsContact O-CB 3.24Å |
| 17 | V | 85.8 | Confident | 81.5 | Confident | 79 Ų | 79 | 123 Ų | 123 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L13 K15 A20 H21 | L13-V17 WeakPolarHBondContact O-CB 3.48Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.28Å; L13-V17 PolarHBondContact O-N 3.04Å; K15-V17 VanDerWaalsContact C-N 3.29Å; K15-V17 PolarHBondContact O-N 3.11Å; V17-A20 PolarHBondContact O-N 2.71Å; V17-H21 PolarHBondContact O-N 3.09Å; V17-H21 VanDerWaalsContact O-N 3.09Å; V17-H21 PolarHBondContact O-ND1 3.42Å |
| 18 | K | 85.1 | Confident | 80.2 | Confident | 146 Ų | 146 | 127 Ų | 127 | 64% | 0.635 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.3 | -44.2 | 178.7 | -174.1 | -179.1 | 175.6 | -170.3 | 0 | 112 | K14 K15 I16 H21 E22 | K14-K18 VanDerWaalsContact O-N 3.11Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 WeakPolarHBondContact O-CB 3.42Å; K15-K18 WeakPolarHBondContact O-CB 3.24Å; K15-K18 PolarHBondContact O-N 2.86Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.35Å; K18-H21 PolarHBondContact O-N 2.98Å; K18-E22 PolarHBondContact O-N 2.85Å |
| 19 | E | 79.2 | Confident | 79.6 | Confident | 131 Ų | 131 | 126.6 Ų | 126.6 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.6 | -36.7 | 178.7 | -70.8 | 166.8 | -158.1 | 0 | 0 | 111.7 | K15 I16 H21 E22 | K15-E19 WeakPolarHBondContact O-CG 3.5Å; K15-E19 PolarHBondContact O-N 3.07Å; I16-E19 PolarHBondContact O-N 3.4Å; E19-H21 PolarHBondContact O-N 2.8Å; E19-H21 VanDerWaalsContact C-N 3.32Å; E19-E22 PolarHBondContact O-N 3.03Å |
| 20 | A | 74.7 | Confident | 78.9 | Confident | 79 Ų | 79 | 128.4 Ų | 128.4 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.3 | -22.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I16 V17 | I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.46Å; I16-A20 VanDerWaalsContact O-CB 3.24Å; V17-A20 PolarHBondContact O-N 2.71Å |
| 21 | H | 66.4 | Low | 78.1 | Confident | 149 Ų | 149 | 126.4 Ų | 126.4 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.4 | 174.9 | -75.6 | 83.5 | 0 | 0 | 0 | 113.2 | V17 K18 E19 P23 | V17-H21 PolarHBondContact O-N 3.09Å; V17-H21 VanDerWaalsContact O-N 3.09Å; V17-H21 PolarHBondContact O-ND1 3.42Å; K18-H21 PolarHBondContact O-N 2.98Å; E19-H21 PolarHBondContact O-N 2.8Å; E19-H21 VanDerWaalsContact C-N 3.32Å; H21-P23 WeakPolarHBondContact O-CD 3.22Å |
| 22 | E | 66.7 | Low | 77.2 | Confident | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -72.8 | 113.3 | 161.9 | -81.2 | 178.9 | -172.7 | 0 | 0 | 106.5 | K18 E19 L24 | K18-E22 PolarHBondContact O-N 2.85Å; E19-E22 PolarHBondContact O-N 3.03Å; E22-L24 PolarHBondContact O-N 3.35Å |
| 23 | P | 66.1 | Low | 76.2 | Confident | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | | | trans | -56 | 123 | 171.6 | 24.3 | -30.9 | 0 | 0 | 0 | 105.8 | H21 A25 | H21-P23 WeakPolarHBondContact O-CD 3.22Å; P23-A25 VanDerWaalsContact C-N 3.34Å; P23-A25 PolarHBondContact O-N 3.47Å |
| 24 | L | 65.7 | Low | 75.2 | Confident | 158 Ų | 158 | 129.8 Ų | 129.8 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | | | trans | -47.6 | 109.8 | 169.8 | -74.2 | 166.5 | 0 | 0 | 0 | 105.1 | E22 V26 | E22-L24 PolarHBondContact O-N 3.35Å; L24-V26 PolarHBondContact O-N 3.38Å |
| 25 | A | 67.9 | Low | 74.1 | Confident | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | | | trans | -66.7 | 85.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | P23 A27 | P23-A25 VanDerWaalsContact C-N 3.34Å; P23-A25 PolarHBondContact O-N 3.47Å; A25-A27 VanDerWaalsContact C-N 3.32Å; A25-A27 PolarHBondContact O-N 3.03Å |
| 26 | V | 66.8 | Low | 72.9 | Confident | 127 Ų | 127 | 126.1 Ų | 126.1 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -63.9 | 103.4 | 165.2 | -82.4 | 0 | 0 | 0 | 0 | 104.1 | L24 D28 | L24-V26 PolarHBondContact O-N 3.38Å; V26-D28 PolarHBondContact O-N 2.69Å |
| 27 | A | 71.1 | Confident | 71.6 | Confident | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | | | trans | -59.4 | 128.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | A25 | A25-A27 VanDerWaalsContact C-N 3.32Å; A25-A27 PolarHBondContact O-N 3.03Å |
| 28 | D | 63.8 | Low | 70.3 | Confident | 239 Ų | 239 | 133.3 Ų | 133.3 | 100% | 1.278 | 77% | 0.765 | S | S | * | * | | | trans | -51.1 | 0 | 175.1 | -73.6 | -44.3 | 0 | 0 | 0 | 112.2 | V26 | V26-D28 PolarHBondContact O-N 2.69Š|