| 1 | M | 43.9 | Very low | 62.5 | Low | 244 Ų | 244 | 141.5 Ų | 141.5 | 100% | 1.202 | 78% | 0.783 | S | S | * | * | | | | 0 | 82.2 | 0 | -63.7 | -70.6 | -177.2 | 0 | 0 | 107 | | |
| 2 | T | 39.4 | Very low | 65 | Low | 141 Ų | 141 | 136.3 Ų | 136.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | trans | -81.9 | 110.6 | 176.1 | 31.9 | 0 | 0 | 0 | 0 | 107.6 | E4 | T2-E4 PolarHBondContact O-N 3.13Š|
| 3 | A | 51 | Low | 67.2 | Low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -70.8 | 118.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 4 | E | 44.6 | Very low | 69.2 | Low | 169 Ų | 169 | 127.5 Ų | 127.5 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | -60.6 | 143.9 | 171 | -64.5 | -137.4 | 141.8 | 0 | 0 | 109.9 | T2 M6 | T2-E4 PolarHBondContact O-N 3.13Å; E4-M6 VanDerWaalsContact C-N 3.28Å; E4-M6 PolarHBondContact O-N 2.88Å |
| 5 | P | 55.3 | Low | 70.9 | Confident | 126 Ų | 126 | 123.7 Ų | 123.7 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | | | trans | -67.4 | 95.2 | 171.6 | 28.6 | -31.4 | 0 | 0 | 0 | 107.4 | S7 | P5-S7 PolarHBondContact O-N 2.78Å; P5-S7 VanDerWaalsContact O-N 3.1Å |
| 6 | M | 56.2 | Low | 72.4 | Confident | 166 Ų | 166 | 121.4 Ų | 121.4 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | | | trans | -51.5 | 122.2 | 167.3 | -63.7 | -174.3 | -161.4 | 0 | 0 | 105.8 | E4 E8 | E4-M6 VanDerWaalsContact C-N 3.28Å; E4-M6 PolarHBondContact O-N 2.88Å; M6-E8 VanDerWaalsContact C-N 3.29Å; M6-E8 PolarHBondContact O-N 3.1Å |
| 7 | S | 59.3 | Low | 73.6 | Confident | 119 Ų | 119 | 121.2 Ų | 121.2 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | | | trans | -54.1 | 99 | 174.2 | 54.6 | 0 | 0 | 0 | 0 | 107.9 | P5 S9 | P5-S7 PolarHBondContact O-N 2.78Å; P5-S7 VanDerWaalsContact O-N 3.1Å; S7-S9 PolarHBondContact O-N 3.4Å |
| 8 | E | 65.9 | Low | 74.8 | Confident | 99 Ų | 99 | 119.8 Ų | 119.8 | 46% | 0.463 | 65% | 0.651 | S | S | . | * | | | trans | -62.8 | 126.9 | -174.4 | -78.1 | 178.9 | 179.9 | 0 | 0 | 108.2 | M6 N12 T13 | M6-E8 VanDerWaalsContact C-N 3.29Å; M6-E8 PolarHBondContact O-N 3.1Å; E8-N12 HydrophobicContact CB-CB 4.31Å; E8-T13 VanDerWaalsContact CB-OG1 3.22Å; E8-T13 WeakPolarHBondContact CB-OG1 3.27Å; E8-T13 WeakPolarHBondContact OE2-CA 3.32Å; E8-T13 PolarHBondContact OE2-OG1 2.68Å |
| 9 | S | 84.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 119.5 Ų | 119.5 | 49% | 0.49 | 65% | 0.645 | S | S | . | * | | | trans | -60.6 | 148.6 | 168.4 | 70.7 | 0 | 0 | 0 | 0 | 108.1 | S7 L11 N12 T13 | S7-S9 PolarHBondContact O-N 3.4Å; S9-L11 CarbonylContact O-C 3.59Å; S9-L11 PolarHBondContact O-N 3.09Å; S9-N12 WeakPolarHBondContact O-CA 3.45Å; S9-N12 WeakPolarHBondContact O-CB 3.41Å; S9-N12 PolarHBondContact O-N 3.41Å; S9-N12 PolarHBondContact OG-N 3.31Å; S9-T13 PolarHBondContact O-N 3.34Å |
| 10 | K | 92.4 | Very high | 76.5 | Confident | 192 Ų | 192 | 117.5 Ų | 117.5 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -50.9 | -33.2 | 179.3 | -65.9 | -178.8 | 179 | -179 | 0 | 112.8 | L14 | K10-L14 WeakPolarHBondContact O-CB 2.92Å; K10-L14 PolarHBondContact O-N 2.85Å; K10-L14 VanDerWaalsContact O-N 3.12Å |
| 11 | L | 95.3 | Very high | 77.2 | Confident | 131 Ų | 131 | 118.5 Ų | 118.5 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -46.1 | 174.3 | -66.3 | 178.6 | 0 | 0 | 0 | 111.6 | S9 T13 L14 V15 | S9-L11 CarbonylContact O-C 3.59Å; S9-L11 PolarHBondContact O-N 3.09Å; L11-T13 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 2.82Å |
| 12 | N | 91.9 | Very high | 79.5 | Confident | 80 Ų | 80 | 113.5 Ų | 113.5 | 43% | 0.428 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 179.6 | -157.5 | 21.9 | 0 | 0 | 0 | 111.6 | E8 S9 L14 V15 Q16 | E8-N12 HydrophobicContact CB-CB 4.31Å; S9-N12 WeakPolarHBondContact O-CA 3.45Å; S9-N12 WeakPolarHBondContact O-CB 3.41Å; S9-N12 PolarHBondContact O-N 3.41Å; S9-N12 PolarHBondContact OG-N 3.31Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 2.91Å; N12-V15 PolarHBondContact O-N 3.41Å; N12-Q16 PolarHBondContact O-N 3.39Å |
| 13 | T | 93.5 | Very high | 81.7 | Confident | 49 Ų | 49 | 110.3 Ų | 110.3 | 30% | 0.301 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.4 | -38.8 | 175.2 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | E8 S9 L11 K17 | E8-T13 VanDerWaalsContact CB-OG1 3.22Å; E8-T13 WeakPolarHBondContact CB-OG1 3.27Å; E8-T13 WeakPolarHBondContact OE2-CA 3.32Å; E8-T13 PolarHBondContact OE2-OG1 2.68Å; S9-T13 PolarHBondContact O-N 3.34Å; L11-T13 PolarHBondContact O-N 3.36Å; T13-K17 HydrophobicContact CG2-CD 4.49Å; T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 WeakPolarHBondContact O-CG 3.11Å; T13-K17 PolarHBondContact O-N 3.31Å |
| 14 | L | 95.3 | Very high | 82.9 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -45.2 | 176 | 178.2 | 63.3 | 0 | 0 | 0 | 111.3 | K10 L11 N12 K17 L18 | K10-L14 WeakPolarHBondContact O-CB 2.92Å; K10-L14 PolarHBondContact O-N 2.85Å; K10-L14 VanDerWaalsContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 3.41Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 2.91Å; L14-K17 PolarHBondContact O-N 3.39Å; L14-L18 HydrophobicContact CD1-CG 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.33Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.4Å |
| 15 | V | 95.5 | Very high | 84 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.2 | -49.6 | 177 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | L11 N12 K17 L18 H19 | L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 2.82Å; N12-V15 PolarHBondContact O-N 3.41Å; V15-K17 PolarHBondContact O-N 2.88Å; V15-L18 WeakPolarHBondContact O-CB 3.44Å; V15-L18 PolarHBondContact O-N 3.17Å; V15-L18 VanDerWaalsContact O-N 3.14Å; V15-H19 PolarHBondContact O-CD2 3.01Å; V15-H19 PolarHBondContact O-N 3.26Å |
| 16 | Q | 93.9 | Very high | 84.1 | Confident | 87 Ų | 87 | 107.4 Ų | 107.4 | 41% | 0.407 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.6 | -45.8 | 178.3 | -173.1 | 59.2 | 62.7 | 0 | 0 | 112 | N12 L18 H19 D20 | N12-Q16 PolarHBondContact O-N 3.39Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.27Å; Q16-H19 WeakPolarHBondContact O-CB 3.49Å; Q16-H19 PolarHBondContact O-N 3.19Å; Q16-H19 VanDerWaalsContact O-N 3.16Å; Q16-D20 PolarHBondContact NE2-OD1 3.07Å; Q16-D20 PolarHBondContact O-N 2.78Å |
| 17 | K | 93 | Very high | 84 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.6 | -39.7 | 175.9 | -81.7 | -178.6 | 170.3 | -70.1 | 0 | 112.4 | T13 L14 V15 H19 D20 F21 | T13-K17 HydrophobicContact CG2-CD 4.49Å; T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 WeakPolarHBondContact O-CG 3.11Å; T13-K17 PolarHBondContact O-N 3.31Å; L14-K17 PolarHBondContact O-N 3.39Å; V15-K17 PolarHBondContact O-N 2.88Å; K17-H19 VanDerWaalsContact C-N 3.35Å; K17-D20 PolarHBondContact O-N 2.85Å; K17-F21 WeakPolarHBondContact O-CB 3.3Å; K17-F21 WeakPolarHBondContact O-CD2 3.49Å; K17-F21 PolarHBondContact O-N 3.3Å |
| 18 | L | 95.7 | Very high | 83.9 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 176.7 | -74.4 | 172.3 | 0 | 0 | 0 | 111.8 | L14 V15 Q16 F21 L22 | L14-L18 HydrophobicContact CD1-CG 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.33Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.4Å; V15-L18 WeakPolarHBondContact O-CB 3.44Å; V15-L18 PolarHBondContact O-N 3.17Å; V15-L18 VanDerWaalsContact O-N 3.14Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.27Å; L18-F21 PolarHBondContact O-N 3.07Å; L18-L22 WeakPolarHBondContact O-CB 3.44Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.41Å |
| 19 | H | 93.7 | Very high | 83.3 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 53% | 0.532 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -46.4 | 173.5 | -74.6 | -72.9 | 0 | 0 | 0 | 111.8 | V15 Q16 K17 L22 A23 | V15-H19 PolarHBondContact O-CD2 3.01Å; V15-H19 PolarHBondContact O-N 3.26Å; Q16-H19 WeakPolarHBondContact O-CB 3.49Å; Q16-H19 PolarHBondContact O-N 3.19Å; Q16-H19 VanDerWaalsContact O-N 3.16Å; K17-H19 VanDerWaalsContact C-N 3.35Å; H19-L22 PolarHBondContact O-N 3.27Å; H19-A23 WeakPolarHBondContact O-CB 3.49Å; H19-A23 PolarHBondContact O-N 3.46Å |
| 20 | D | 90.5 | Very high | 81.7 | Confident | 78 Ų | 78 | 117.4 Ų | 117.4 | 42% | 0.417 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.8 | -45 | 176.9 | -72.8 | 13.8 | 0 | 0 | 0 | 111.4 | Q16 K17 L22 A23 H24 | Q16-D20 PolarHBondContact NE2-OD1 3.07Å; Q16-D20 PolarHBondContact O-N 2.78Å; K17-D20 PolarHBondContact O-N 2.85Å; D20-L22 PolarHBondContact O-N 2.91Å; D20-A23 PolarHBondContact O-N 3.33Å; D20-H24 WeakPolarHBondContact O-CB 3.48Å; D20-H24 PolarHBondContact O-CD2 2.99Å; D20-H24 PolarHBondContact O-N 3.44Å |
| 21 | F | 91 | Very high | 79.5 | Confident | 139 Ų | 139 | 116.3 Ų | 116.3 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.6 | -48.1 | 176 | -91.9 | -72.4 | 0 | 0 | 0 | 110.9 | K17 L18 A23 H24 S25 | K17-F21 WeakPolarHBondContact O-CB 3.3Å; K17-F21 WeakPolarHBondContact O-CD2 3.49Å; K17-F21 PolarHBondContact O-N 3.3Å; L18-F21 PolarHBondContact O-N 3.07Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 2.95Å; F21-H24 PolarHBondContact O-N 2.84Å; F21-S25 WeakPolarHBondContact O-CA 3.22Å; F21-S25 WeakPolarHBondContact O-CB 3.49Å; F21-S25 PolarHBondContact O-N 3.15Å |
| 22 | L | 91.5 | Very high | 77.1 | Confident | 139 Ų | 139 | 115 Ų | 115 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -31.3 | -179.9 | -68 | 173.8 | 0 | 0 | 0 | 112.9 | L18 H19 D20 H24 | L18-L22 WeakPolarHBondContact O-CB 3.44Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.41Å; H19-L22 PolarHBondContact O-N 3.27Å; D20-L22 PolarHBondContact O-N 2.91Å; L22-H24 VanDerWaalsContact C-N 3.33Å |
| 23 | A | 84.8 | Confident | 75.2 | Confident | 74 Ų | 74 | 117.5 Ų | 117.5 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.6 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H19 D20 F21 | H19-A23 WeakPolarHBondContact O-CB 3.49Å; H19-A23 PolarHBondContact O-N 3.46Å; D20-A23 PolarHBondContact O-N 3.33Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 2.95Å |
| 24 | H | 76.6 | Confident | 72.7 | Confident | 143 Ų | 143 | 119 Ų | 119 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -113.6 | -10.9 | -174.1 | -60 | -53.9 | 0 | 0 | 0 | 114.4 | D20 F21 L22 S26 | D20-H24 WeakPolarHBondContact O-CB 3.48Å; D20-H24 PolarHBondContact O-CD2 2.99Å; D20-H24 PolarHBondContact O-N 3.44Å; F21-H24 PolarHBondContact O-N 2.84Å; L22-H24 VanDerWaalsContact C-N 3.33Å; H24-S26 PolarHBondContact O-N 2.73Å |
| 25 | S | 67.8 | Low | 70.7 | Confident | 94 Ų | 94 | 119.4 Ų | 119.4 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 2 | -175.4 | -175.9 | 0 | 0 | 0 | 0 | 114.7 | F21 | F21-S25 WeakPolarHBondContact O-CA 3.22Å; F21-S25 WeakPolarHBondContact O-CB 3.49Å; F21-S25 PolarHBondContact O-N 3.15Å |
| 26 | S | 58.9 | Low | 68.5 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -19.6 | -178.4 | -79 | 0 | 0 | 0 | 0 | 115.6 | H24 | H24-S26 PolarHBondContact O-N 2.73Š|
| 27 | E | 52.2 | Low | 66.5 | Low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -163 | 26.8 | -166.8 | -110.6 | 154 | 125.4 | 0 | 0 | 119.1 | | |
| 28 | E | 57.8 | Low | 64.4 | Low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -137.9 | 75 | 170 | -164.2 | -162.3 | 92.8 | 0 | 0 | 112.3 | | |
| 29 | S | 54.3 | Low | 62.1 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -126.5 | 25.9 | 164.8 | 74.1 | 0 | 0 | 0 | 0 | 113 | | |
| 30 | E | 50.3 | Low | 59.6 | Low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -149.7 | 70.1 | 173.3 | -70.3 | -167.2 | 124.4 | 0 | 0 | 110.9 | | |
| 31 | E | 45.7 | Very low | 57.6 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -166.3 | 137.9 | 145.1 | -158.2 | 82.7 | -146.8 | 0 | 0 | 108.6 | S33 | E31-S33 PolarHBondContact O-N 2.92Š|
| 32 | T | 45.4 | Very low | 55.4 | Low | 104 Ų | 104 | 139.5 Ų | 139.5 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | | | trans | -46 | 126 | -177 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S34 | T32-S34 VanDerWaalsContact C-N 3.25Å; T32-S34 PolarHBondContact O-N 2.84Å |
| 33 | S | 51.5 | Low | 53.1 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 92% | 0.923 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 92.6 | 153.3 | 174 | 0 | 0 | 0 | 0 | 108.1 | E31 | E31-S33 PolarHBondContact O-N 2.92Š|
| 34 | S | 41.6 | Very low | 50.9 | Low | 82 Ų | 82 | 141.5 Ų | 141.5 | 57% | 0.573 | 78% | 0.777 | S | S | * | * | | | trans | -138.6 | 141.1 | 166.4 | -76.6 | 0 | 0 | 0 | 0 | 108.3 | T32 | T32-S34 VanDerWaalsContact C-N 3.25Å; T32-S34 PolarHBondContact O-N 2.84Å |
| 35 | P | 53.2 | Low | 49.2 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -63.4 | 156.9 | -176.9 | 28 | -33.4 | 0 | 0 | 0 | 110.6 | R37 | P35-R37 PolarHBondContact O-N 3.39Š|
| 36 | P | 49.9 | Very low | 48.2 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | | | trans | -59.8 | 113.9 | -169.1 | 24.3 | -32.7 | 0 | 0 | 0 | 110 | L38 | P36-L38 PolarHBondContact O-N 3.16Š|
| 37 | R | 50.7 | Low | 47.9 | Very low | 242 Ų | 242 | 146.8 Ų | 146.8 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | trans | -75 | 124 | 172.7 | -64.7 | -162.4 | 112.6 | 169.8 | 4.4 | 108.6 | P35 | P35-R37 PolarHBondContact O-N 3.39Š|
| 38 | L | 48.7 | Very low | 47.4 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | trans | -51 | 130.5 | 176.5 | -68.7 | 166.1 | 0 | 0 | 0 | 112 | P36 | P36-L38 PolarHBondContact O-N 3.16Š|
| 39 | A | 47.3 | Very low | 46.4 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 39.2 | 111.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 40 | M | 41.8 | Very low | 45.8 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -123.5 | 95.8 | 152.6 | -168.4 | 158.2 | 159.4 | 0 | 0 | 108.7 | | |
| 41 | N | 48.8 | Very low | 45.4 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -104.6 | 148.5 | 157.2 | -72.8 | -24.7 | 0 | 0 | 0 | 107 | | |
| 42 | Q | 44.1 | Very low | 45.4 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | 100.8 | 132.6 | 179.9 | -61 | 179 | 3.8 | 0 | 0 | 112.4 | | |
| 43 | N | 44.8 | Very low | 45.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -175.1 | 161.2 | -23.5 | 41.7 | 20.9 | 0 | 0 | 0 | 103.1 | | |
| 44 | T | 38.4 | Very low | 45.4 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -58.2 | 155.3 | -179.8 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 45 | D | 41.1 | Very low | 45.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | 93.6 | 115.7 | 140.2 | -92.6 | -22.8 | 0 | 0 | 0 | 120.8 | | |
| 46 | K | 45.8 | Very low | 45.7 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | | | | 131.6 | 106.8 | 125.4 | -57.2 | -122 | -174 | -72.1 | 0 | 118 | | |
| 47 | I | 52.6 | Low | 45.6 | Very low | 157 Ų | 157 | 138 Ų | 138 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | 43.6 | 150.8 | 136.4 | 57.4 | 150 | 0 | 0 | 0 | 124.7 | | |
| 48 | S | 41.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 92.8 | 129.4 | 165 | 79.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 49 | G | 38.2 | Very low | 45.3 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | cis | 149 | 156.9 | 11.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 50 | S | 41.4 | Very low | 45.7 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 97% | 0.972 | 76% | 0.758 | S | S | * | * | | | trans | 87.7 | 125.6 | 173.9 | -155.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 51 | G | 40.8 | Very low | 46.3 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | cis | 176.8 | 145.4 | 6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 52 | S | 47 | Very low | 46.6 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | -83 | 172.6 | -179.5 | 67 | 0 | 0 | 0 | 0 | 112.9 | | |
| 53 | N | 47 | Very low | 46.9 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 92 | 143.8 | 164.1 | -39.2 | -37.1 | 0 | 0 | 0 | 114.1 | | |
| 54 | S | 49.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -160.4 | 138.2 | 21.8 | 48.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 55 | D | 49.6 | Very low | 46.9 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | | 54.1 | 141.2 | 85 | -139.9 | -36.7 | 0 | 0 | 0 | 116.1 | | |
| 56 | M | 50.2 | Low | 46.7 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 110.5 | 103.4 | 159.2 | -50.7 | -106.8 | 116.1 | 0 | 0 | 118 | | |
| 57 | M | 49.5 | Very low | 46.8 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | 48.6 | 153.8 | 116.9 | -57.1 | -78.5 | -101.3 | 0 | 0 | 118.7 | | |
| 58 | E | 45.4 | Very low | 46.7 | Very low | 144 Ų | 144 | 127 Ų | 127 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | | | cis | 178.8 | 147.8 | -1.5 | 158.6 | -175.7 | 157.8 | 0 | 0 | 104.6 | | |
| 59 | N | 47.8 | Very low | 47 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | | | trans | 45.5 | 137.8 | 147.2 | -157.3 | 18.6 | 0 | 0 | 0 | 122.7 | | |
| 60 | S | 55.4 | Low | 47.7 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -131.3 | 115.9 | 156.3 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 61 | K | 54.7 | Low | 48.2 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | trans | -80.8 | 146.7 | 178.2 | -59.2 | 176.4 | 179.6 | 179 | 0 | 110 | | |
| 62 | E | 53.6 | Low | 49 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | | 178.8 | 138.2 | 116.9 | 56.3 | -158.4 | -168.3 | 0 | 0 | 113.7 | | |
| 63 | E | 51.4 | Low | 49.4 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -93 | 150.8 | 179.1 | -97 | -95.6 | 154.4 | 0 | 0 | 110.6 | | |
| 64 | G | 40.8 | Very low | 49.7 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -160.4 | 121.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 65 | T | 41.6 | Very low | 50 | Low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -78.1 | 160.7 | -165 | 58.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 66 | S | 36.8 | Very low | 50.2 | Low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | 126.8 | 111.9 | 133.9 | -173.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 67 | S | 48.4 | Very low | 50.7 | Low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | 14.2 | 136.3 | 135.3 | -160 | 0 | 0 | 0 | 0 | 125.7 | | |
| 68 | S | 51 | Low | 51.4 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | | 124 | 122.3 | 126.7 | -162.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 69 | E | 46.5 | Very low | 52.4 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | 32.7 | 129.2 | 147.8 | -57.9 | -165.8 | 93.4 | 0 | 0 | 128.6 | | |
| 70 | K | 52.6 | Low | 53.6 | Low | 177 Ų | 177 | 143.2 Ų | 143.2 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | | | trans | 57.1 | 126.7 | 136.2 | -75.8 | 166 | 178.6 | 141.8 | 0 | 124 | | |
| 71 | S | 53.2 | Low | 54.6 | Low | 128 Ų | 128 | 147.3 Ų | 147.3 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | | | | 178.3 | 146.3 | 116 | 41.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 72 | K | 56.9 | Low | 55.6 | Low | 214 Ų | 214 | 147.6 Ų | 147.6 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | | | trans | -94.7 | 140.4 | -179.1 | -64.2 | 174.1 | 176.8 | 175.4 | 0 | 110.4 | | |
| 73 | S | 54.7 | Low | 56.3 | Low | 124 Ų | 124 | 143.7 Ų | 143.7 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -141.7 | 135.9 | 155.6 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 74 | S | 54.5 | Low | 57.3 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -68.4 | 129.3 | -171.2 | 42.5 | 0 | 0 | 0 | 0 | 116 | | |
| 75 | G | 54.3 | Low | 59 | Low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 43.3 | 103.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 76 | S | 54.3 | Low | 60.7 | Low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -100.2 | 114 | 163.2 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 77 | S | 61.3 | Low | 62.7 | Low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | 19.1 | 124.1 | 149.2 | -73.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 78 | R | 64.9 | Low | 64.3 | Low | 248 Ų | 248 | 140.7 Ų | 140.7 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | | | trans | -61.1 | 126.7 | -173.5 | -66.4 | 169.8 | 166.6 | 96.3 | -2 | 115.3 | | |
| 79 | S | 65.8 | Low | 65.3 | Low | 88 Ų | 88 | 145 Ų | 145 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | | | trans | -64.1 | 138.4 | 165.3 | 179 | 0 | 0 | 0 | 0 | 112.2 | R81 | S79-R81 PolarHBondContact OG-N 2.98Š|
| 80 | K | 73.3 | Confident | 66.5 | Low | 219 Ų | 219 | 143.6 Ų | 143.6 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -85 | -2.9 | 175 | -75.4 | -88.7 | -173.6 | 169.4 | 0 | 113.8 | | |
| 81 | R | 75.4 | Confident | 66.9 | Low | 207 Ų | 207 | 143.4 Ų | 143.4 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -75.9 | 156.2 | 170.4 | -64.1 | -177.4 | 177.3 | 139.8 | -0.3 | 109.3 | S79 P83 | S79-R81 PolarHBondContact OG-N 2.98Å; R81-P83 WeakPolarHBondContact O-CD 3.41Å |
| 82 | K | 76.7 | Confident | 67.2 | Low | 182 Ų | 182 | 142.2 Ų | 142.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.3 | 164.5 | -67.3 | -77.2 | -176.9 | 168.1 | 0 | 106.5 | S84 | K82-S84 PolarHBondContact O-N 2.96Š|
| 83 | P | 68.1 | Low | 67.4 | Low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.9 | -179.3 | 25.9 | -32.1 | 0 | 0 | 0 | 108.7 | R81 I85 | R81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-I85 PolarHBondContact O-N 3.36Å |
| 84 | S | 71.3 | Confident | 67.1 | Low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121 | 170.9 | 65.4 | 0 | 0 | 0 | 0 | 108.1 | K82 | K82-S84 PolarHBondContact O-N 2.96Š|
| 85 | I | 76.8 | Confident | 67 | Low | 139 Ų | 139 | 142.7 Ų | 142.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 131.4 | 177.6 | -168.5 | 152.8 | 0 | 0 | 0 | 109.8 | P83 | P83-I85 PolarHBondContact O-N 3.36Š|
| 86 | V | 77.1 | Confident | 66.7 | Low | 75 Ų | 75 | 147.5 Ų | 147.5 | 46% | 0.455 | 75% | 0.751 | S | S | . | * | | | trans | -105.3 | 113.1 | 170.8 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | V126 | V86-V126 HydrophobicContact CG1-CG1 4.1Š|
| 87 | T | 79.3 | Confident | 66.4 | Low | 61 Ų | 61 | 145.9 Ų | 145.9 | 37% | 0.374 | 74% | 0.738 | S | S | . | * | | | trans | -89.4 | 130.4 | 175.8 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | Y89 | T87-Y89 HydrophobicContact CG2-CD2 4.32Å; T87-Y89 HydrophobicContact CG2-CE2 3.73Å |
| 88 | K | 82.1 | Confident | 65.7 | Low | 179 Ų | 179 | 148.8 Ų | 148.8 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | -115.2 | 131.7 | 173.4 | -59.9 | -173.8 | 179.8 | -171 | 0 | 108.1 | | |
| 89 | Y | 71.9 | Confident | 64.6 | Low | 189 Ų | 189 | 143.3 Ų | 143.3 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | trans | -99.1 | 129 | 174.8 | -67.1 | -91 | 0 | 0 | 0 | 108.8 | T87 | T87-Y89 HydrophobicContact CG2-CD2 4.32Å; T87-Y89 HydrophobicContact CG2-CE2 3.73Å |
| 90 | V | 73.3 | Confident | 63.4 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -124.2 | 112.2 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 105.8 | S92 | V90-S92 PolarHBondContact O-N 3.16Š|
| 91 | E | 61.1 | Low | 62.2 | Low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | | | trans | -71.9 | 115.7 | 169.4 | -76.1 | 168 | 161.1 | 0 | 0 | 107.5 | | |
| 92 | S | 58.5 | Low | 60.4 | Low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | | | trans | -124.8 | 117.2 | 170.2 | -56.3 | 0 | 0 | 0 | 0 | 107.8 | V90 D94 | V90-S92 PolarHBondContact O-N 3.16Å; S92-D94 PolarHBondContact O-N 3.04Å |
| 93 | D | 60.1 | Low | 58.8 | Low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -54.6 | 105.8 | 168.9 | 178.6 | 38 | 0 | 0 | 0 | 111.6 | | |
| 94 | D | 49.2 | Very low | 57.5 | Low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | | | trans | -160.6 | 132.9 | 149.3 | -148.8 | 0.9 | 0 | 0 | 0 | 109.3 | S92 | S92-D94 PolarHBondContact O-N 3.04Š|
| 95 | E | 52.1 | Low | 56.4 | Low | 152 Ų | 152 | 141.2 Ų | 141.2 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | | | trans | -88.5 | 142.6 | -160 | -65.5 | -108.6 | 132.3 | 0 | 0 | 114.7 | | |
| 96 | K | 47.6 | Very low | 54.6 | Low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | trans | 71.1 | 159.8 | 153.1 | -69.1 | -77.4 | -179.1 | -176.2 | 0 | 121.2 | | |
| 97 | P | 49.5 | Very low | 53.3 | Low | 91 Ų | 91 | 142.2 Ų | 142.2 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | | | cis | -128.5 | 148.1 | -30.2 | 34.4 | -18.7 | 0 | 0 | 0 | 112.7 | | |
| 98 | L | 45.1 | Very low | 51.9 | Low | 177 Ų | 177 | 144.7 Ų | 144.7 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | | | trans | -137.3 | 126.5 | 147.5 | -73.6 | -179.2 | 0 | 0 | 0 | 108.5 | | |
| 99 | D | 43 | Very low | 50.4 | Low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -65 | 158.2 | -170 | -59.2 | -70.1 | 0 | 0 | 0 | 114.8 | | |
| 100 | D | 41.1 | Very low | 49.6 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | trans | 69.5 | 129.3 | 158.1 | -57.2 | -38.6 | 0 | 0 | 0 | 117.6 | | |
| 101 | E | 46.7 | Very low | 48.8 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | cis | -165.1 | 151.7 | 20.3 | -162.2 | -174.6 | 123.9 | 0 | 0 | 108.6 | | |
| 102 | T | 38.2 | Very low | 48.5 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | trans | 95.2 | 94.3 | 162.3 | 75 | 0 | 0 | 0 | 0 | 119.1 | | |
| 103 | V | 42.2 | Very low | 48.6 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 43.3 | 118.8 | 137.8 | -85.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 104 | N | 41 | Very low | 48.5 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | | -172 | 151.8 | 52.3 | -165 | 1.5 | 0 | 0 | 0 | 108.8 | | |
| 105 | E | 48.9 | Very low | 49.2 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -50.5 | 150.1 | 170.2 | -63.9 | 162.1 | 143 | 0 | 0 | 109.8 | | |
| 106 | D | 39.4 | Very low | 49.6 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | | -177.5 | 166.5 | 62.3 | -147.4 | -21.4 | 0 | 0 | 0 | 109.5 | | |
| 107 | A | 49.1 | Very low | 50.6 | Low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | trans | -50.2 | 164.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 108 | S | 50.7 | Low | 51.8 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 91.7 | 113.8 | 148 | 78.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 109 | N | 49.5 | Very low | 53.3 | Low | 117 Ų | 117 | 138 Ų | 138 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | | 163.9 | 127.4 | 87 | -172.2 | 12.9 | 0 | 0 | 0 | 107.5 | N111 | N109-N111 PolarHBondContact O-N 3.42Š|
| 110 | E | 55.4 | Low | 55 | Low | 205 Ų | 205 | 134.6 Ų | 134.6 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 38.8 | -176 | -49.2 | -174.2 | -157.5 | 0 | 0 | 111.8 | | |
| 111 | N | 56.5 | Low | 57 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 22.4 | -173.1 | -170.5 | 42.9 | 0 | 0 | 0 | 112.6 | N109 E113 | N109-N111 PolarHBondContact O-N 3.42Å; N111-E113 PolarHBondContact O-N 3.33Å; N111-E113 VanDerWaalsContact O-N 3.13Å |
| 112 | S | 55.5 | Low | 58.8 | Low | 88 Ų | 88 | 128.6 Ų | 128.6 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -80 | 16.4 | -173.6 | 64 | 0 | 0 | 0 | 0 | 115 | N114 D115 | S112-N114 PolarHBondContact O-N 3.36Å; S112-D115 PolarHBondContact O-N 3.14Å; S112-D115 VanDerWaalsContact O-N 3.1Å |
| 113 | E | 61.1 | Low | 60.9 | Low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -57.3 | -15.7 | 179.8 | -170 | 166.9 | -179.3 | 0 | 0 | 113.2 | N111 | N111-E113 PolarHBondContact O-N 3.33Å; N111-E113 VanDerWaalsContact O-N 3.13Å |
| 114 | N | 57.4 | Low | 63 | Low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -114.7 | 0.1 | -177.8 | -65.9 | 70.4 | 0 | 0 | 0 | 115.2 | S112 I116 | S112-N114 PolarHBondContact O-N 3.36Å; N114-I116 PolarHBondContact O-N 2.95Å |
| 115 | D | 63.7 | Low | 65.2 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 70% | 0.696 | S | S | * | * | | | trans | -95.1 | 84.4 | 179.1 | -159.2 | 13.6 | 0 | 0 | 0 | 110.6 | S112 T117 | S112-D115 PolarHBondContact O-N 3.14Å; S112-D115 VanDerWaalsContact O-N 3.1Å; D115-T117 PolarHBondContact O-N 3.48Å |
| 116 | I | 60.3 | Low | 67.1 | Low | 128 Ų | 128 | 123.1 Ų | 123.1 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | | | trans | -76 | 81.1 | -178.6 | -45.6 | 165.1 | 0 | 0 | 0 | 108.1 | N114 M118 | N114-I116 PolarHBondContact O-N 2.95Å; I116-M118 PolarHBondContact O-N 2.94Å |
| 117 | T | 68.6 | Low | 69.3 | Low | 70 Ų | 70 | 119.1 Ų | 119.1 | 43% | 0.429 | 67% | 0.666 | S | S | . | * | | | trans | -62.3 | 124.3 | 172.9 | 53.8 | 0 | 0 | 0 | 0 | 109 | D115 Q119 S120 | D115-T117 PolarHBondContact O-N 3.48Å; T117-Q119 PolarHBondContact O-N 2.99Å; T117-S120 PolarHBondContact O-N 2.9Å; T117-S120 PolarHBondContact O-OG 3.07Å |
| 118 | M | 74.4 | Confident | 71.2 | Confident | 184 Ų | 184 | 120.6 Ų | 120.6 | 91% | 0.906 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -2.9 | 179.2 | -67.1 | -66.9 | -66.6 | 0 | 0 | 114.3 | I116 S120 | I116-M118 PolarHBondContact O-N 2.94Å; M118-S120 VanDerWaalsContact C-N 3.31Å |
| 119 | Q | 76.2 | Confident | 72.8 | Confident | 186 Ų | 186 | 122.1 Ų | 122.1 | 87% | 0.869 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -14.7 | 172.7 | -57.2 | -59.9 | -25.2 | 0 | 0 | 112.5 | T117 | T117-Q119 PolarHBondContact O-N 2.99Š|
| 120 | S | 79.1 | Confident | 74.4 | Confident | 60 Ų | 60 | 121.9 Ų | 121.9 | 42% | 0.42 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -128.5 | 141.4 | 179.7 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | T117 M118 | T117-S120 PolarHBondContact O-N 2.9Å; T117-S120 PolarHBondContact O-OG 3.07Å; M118-S120 VanDerWaalsContact C-N 3.31Å |
| 121 | L | 83.3 | Confident | 75.7 | Confident | 116 Ų | 116 | 119.3 Ų | 119.3 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 148.7 | 171 | -68.2 | 174.1 | 0 | 0 | 0 | 109.4 | T125 I127 | L121-T125 HydrophobicContact CB-CG2 4.14Å; L121-T125 HydrophobicContact CD1-CG2 3.96Å; L121-I127 HydrophobicContact CD1-CD1 3.78Å; L121-I127 HydrophobicContact CD1-CG1 3.99Å |
| 122 | P | 84.1 | Confident | 76.5 | Confident | 79 Ų | 79 | 119.3 Ų | 119.3 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 147.9 | -179.9 | -27.2 | 34.9 | 0 | 0 | 0 | 113.6 | G124 T125 | P122-G124 PolarHBondContact O-N 3.27Å; P122-T125 VanDerWaalsContact O-CB 3.27Å; P122-T125 WeakPolarHBondContact O-CB 3.43Å; P122-T125 PolarHBondContact O-N 2.95Å; P122-T125 VanDerWaalsContact O-N 3.09Å; P122-T125 PolarHBondContact O-OG1 3.41Å |
| 123 | K | 83 | Confident | 77.5 | Confident | 197 Ų | 197 | 120 Ų | 120 | 86% | 0.857 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 134.4 | 174.9 | -68.6 | 169.2 | -178.2 | 170.9 | 0 | 109.9 | | |
| 124 | G | 85.4 | Confident | 78 | Confident | 80 Ų | 80 | 119.4 Ų | 119.4 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.2 | -2.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P122 V126 | P122-G124 PolarHBondContact O-N 3.27Å; G124-V126 PolarHBondContact O-N 3.24Å |
| 125 | T | 87 | Confident | 78.3 | Confident | 67 Ų | 67 | 117.5 Ų | 117.5 | 41% | 0.411 | 65% | 0.652 | S | S | . | * | | | trans | -68.6 | 125.9 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | L121 P122 I127 | L121-T125 HydrophobicContact CB-CG2 4.14Å; L121-T125 HydrophobicContact CD1-CG2 3.96Å; P122-T125 VanDerWaalsContact O-CB 3.27Å; P122-T125 WeakPolarHBondContact O-CB 3.43Å; P122-T125 PolarHBondContact O-N 2.95Å; P122-T125 VanDerWaalsContact O-N 3.09Å; P122-T125 PolarHBondContact O-OG1 3.41Å; T125-I127 HydrophobicContact CG2-CG1 4.33Å |
| 126 | V | 89.1 | Confident | 78.4 | Confident | 99 Ų | 99 | 119.7 Ų | 119.7 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | | | trans | -95.3 | 114.4 | 172.9 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | V86 G124 V128 | V86-V126 HydrophobicContact CG1-CG1 4.1Å; G124-V126 PolarHBondContact O-N 3.24Å; V126-V128 HydrophobicContact CG1-CG2 4.36Å |
| 127 | I | 85.3 | Confident | 78.7 | Confident | 72 Ų | 72 | 119.9 Ų | 119.9 | 37% | 0.369 | 66% | 0.661 | S | S | . | * | | | trans | -94.8 | 121 | 175.8 | -52 | 173.8 | 0 | 0 | 0 | 108 | L121 T125 Q129 | L121-I127 HydrophobicContact CD1-CD1 3.78Å; L121-I127 HydrophobicContact CD1-CG1 3.99Å; T125-I127 HydrophobicContact CG2-CG1 4.33Å; I127-Q129 HydrophobicContact CG2-CG 4.41Å |
| 128 | V | 90.5 | Very high | 78.7 | Confident | 109 Ų | 109 | 123.5 Ų | 123.5 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | | | trans | -103.9 | 108.3 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | V126 | V126-V128 HydrophobicContact CG1-CG2 4.36Š|
| 129 | Q | 84.4 | Confident | 78.8 | Confident | 145 Ų | 145 | 120.4 Ų | 120.4 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 123.4 | 170.6 | -66.4 | -174.9 | 15.6 | 0 | 0 | 108.4 | I127 | I127-Q129 HydrophobicContact CG2-CG 4.41Š|
| 130 | P | 81.9 | Confident | 78.7 | Confident | 113 Ų | 113 | 117.8 Ų | 117.8 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 164.5 | 173.6 | 28.9 | -34.1 | 0 | 0 | 0 | 110.6 | | |
| 131 | E | 82.1 | Confident | 78.4 | Confident | 150 Ų | 150 | 122.6 Ų | 122.6 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.9 | 176.4 | -68.3 | -170.6 | 163.9 | 0 | 0 | 110 | V133 | E131-V133 PolarHBondContact O-N 3.35Š|
| 132 | P | 74.6 | Confident | 78 | Confident | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 121 | 174.9 | 25.3 | -31.9 | 0 | 0 | 0 | 108.4 | L134 | P132-L134 PolarHBondContact O-N 3.1Š|
| 133 | V | 76.8 | Confident | 77.9 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | | | trans | -77.1 | 112.6 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | E131 N135 | E131-V133 PolarHBondContact O-N 3.35Å; V133-N135 HydrophobicContact CG1-CB 4.27Å; V133-N135 PolarHBondContact O-N 2.88Å |
| 134 | L | 71.4 | Confident | 77.9 | Confident | 169 Ų | 169 | 117.9 Ų | 117.9 | 89% | 0.885 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -59.1 | -1 | -179.7 | -102.4 | 163.8 | 0 | 0 | 0 | 115.1 | P132 | P132-L134 PolarHBondContact O-N 3.1Š|
| 135 | N | 63.2 | Low | 77.7 | Confident | 103 Ų | 103 | 121.2 Ų | 121.2 | 55% | 0.551 | 64% | 0.644 | S | S | * | * | | | trans | -114.2 | 58.5 | 179.8 | -56.2 | -28.1 | 0 | 0 | 0 | 109.5 | V133 D137 K138 | V133-N135 HydrophobicContact CG1-CB 4.27Å; V133-N135 PolarHBondContact O-N 2.88Å; N135-D137 PolarHBondContact O-N 3.12Å; N135-D137 VanDerWaalsContact O-N 3.16Å; N135-K138 PolarHBondContact O-N 3.02Å |
| 136 | E | 65.3 | Low | 77 | Confident | 167 Ų | 167 | 127.2 Ų | 127.2 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -24.8 | 177.7 | -56.9 | -175.2 | 178.7 | 0 | 0 | 112 | | |
| 137 | D | 67.9 | Low | 76.3 | Confident | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -11.2 | -171.3 | -57.7 | -24.8 | 0 | 0 | 0 | 114 | N135 | N135-D137 PolarHBondContact O-N 3.12Å; N135-D137 VanDerWaalsContact O-N 3.16Å |
| 138 | K | 68.8 | Low | 75.3 | Confident | 145 Ų | 145 | 133.7 Ų | 133.7 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | | | trans | -145.5 | 82.4 | -176.4 | -57.9 | -69.4 | 166.7 | -93.1 | 0 | 108.7 | N135 D140 | N135-K138 PolarHBondContact O-N 3.02Å; K138-D140 VanDerWaalsContact C-N 3.31Å; K138-D140 PolarHBondContact O-N 2.99Å |
| 139 | D | 75.9 | Confident | 74.5 | Confident | 119 Ų | 119 | 136.9 Ų | 136.9 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | trans | -59.1 | 102.1 | 156.2 | -176.4 | 2.7 | 0 | 0 | 0 | 108 | F141 K142 | D139-F141 PolarHBondContact O-N 3.32Å; D139-F141 VanDerWaalsContact O-N 3.15Å; D139-F141 WeakPolarHBondContact OD1-CB 3.3Å; D139-F141 PolarHBondContact OD1-N 3.03Å; D139-K142 PolarHBondContact O-NZ 2.8Å |
| 140 | D | 73.4 | Confident | 73.5 | Confident | 132 Ų | 132 | 135.2 Ų | 135.2 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | | | trans | -71.8 | 3.9 | 179.2 | -79.7 | -24.8 | 0 | 0 | 0 | 112.2 | K138 K142 | K138-D140 VanDerWaalsContact C-N 3.31Å; K138-D140 PolarHBondContact O-N 2.99Å; D140-K142 PolarHBondContact O-N 3.49Å |
| 141 | F | 72.4 | Confident | 73.1 | Confident | 161 Ų | 161 | 138.1 Ų | 138.1 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -65.8 | 83.6 | 168.2 | -160.2 | -98.3 | 0 | 0 | 0 | 110.4 | D139 G143 | D139-F141 PolarHBondContact O-N 3.32Å; D139-F141 VanDerWaalsContact O-N 3.15Å; D139-F141 WeakPolarHBondContact OD1-CB 3.3Å; D139-F141 PolarHBondContact OD1-N 3.03Å; F141-G143 PolarHBondContact O-N 3.11Å |
| 142 | K | 75.9 | Confident | 72.1 | Confident | 145 Ų | 145 | 139.3 Ų | 139.3 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | | | trans | -94.1 | 86.7 | 162 | -60.7 | -65.9 | 159.3 | -76.6 | 0 | 105.5 | D139 D140 | D139-K142 PolarHBondContact O-NZ 2.8Å; D140-K142 PolarHBondContact O-N 3.49Å |
| 143 | G | 82.1 | Confident | 71.2 | Confident | 27 Ų | 27 | 143.8 Ų | 143.8 | 28% | 0.278 | 71% | 0.713 | S | S | . | * | | | trans | -51.4 | 166.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | F141 E145 | F141-G143 PolarHBondContact O-N 3.11Å; G143-E145 PolarHBondContact O-N 3.36Å |
| 144 | P | 83.3 | Confident | 70.6 | Confident | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | | | trans | -52 | 111.5 | -172.6 | -26.5 | 34.6 | 0 | 0 | 0 | 112.8 | | |
| 145 | E | 80.6 | Confident | 69.5 | Low | 150 Ų | 150 | 145.6 Ų | 145.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -87.6 | 115.9 | -179 | -77.6 | -172.2 | 145.3 | 0 | 0 | 111.4 | G143 R147 | G143-E145 PolarHBondContact O-N 3.36Å; E145-R147 PolarHBondContact O-N 3.1Å |
| 146 | F | 71.6 | Confident | 69.2 | Low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | trans | -80.9 | 106.9 | 168.6 | -66.1 | -83.5 | 0 | 0 | 0 | 109.9 | S148 | F146-S148 PolarHBondContact O-N 2.82Å; F146-S148 VanDerWaalsContact O-N 3.1Å |
| 147 | R | 75.1 | Confident | 68.9 | Low | 188 Ų | 188 | 147.5 Ų | 147.5 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | trans | -84.4 | 81 | -174.9 | -140.6 | 178.7 | -163.7 | 143.1 | 8.1 | 111.7 | E145 R149 | E145-R147 PolarHBondContact O-N 3.1Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 HydrophobicContact CG-CG 4.01Å; R147-R149 PolarHBondContact O-N 3.21Å |
| 148 | S | 64.8 | Low | 68.5 | Low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -77.1 | 85.5 | 165 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | F146 S150 | F146-S148 PolarHBondContact O-N 2.82Å; F146-S148 VanDerWaalsContact O-N 3.1Å; S148-S150 PolarHBondContact O-N 2.73Å; S148-S150 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 73 | Confident | 68.1 | Low | 176 Ų | 176 | 150.5 Ų | 150.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | trans | -73.4 | 96 | 175.7 | -68.7 | -175.1 | 161.8 | -172.4 | -2.8 | 110.5 | R147 | R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 HydrophobicContact CG-CG 4.01Å; R147-R149 PolarHBondContact O-N 3.21Å |
| 150 | S | 64.6 | Low | 67 | Low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -100.5 | 125.8 | 153.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | S148 | S148-S150 PolarHBondContact O-N 2.73Å; S148-S150 VanDerWaalsContact O-N 3.11Å |
| 151 | K | 72.1 | Confident | 65.9 | Low | 173 Ų | 173 | 152.2 Ų | 152.2 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -126 | 105.9 | -176 | -68.3 | -74.3 | -172.3 | 176.4 | 0 | 109.2 | | |
| 152 | M | 61.3 | Low | 65.1 | Low | 175 Ų | 175 | 150.7 Ų | 150.7 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | | | trans | -174.4 | 106.4 | 150.7 | 52.8 | -173 | 81.2 | 0 | 0 | 107 | | |
| 153 | K | 56.3 | Low | 63.7 | Low | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | | | | 84.2 | 119.1 | 66.7 | -158.7 | 173.1 | 170.7 | -175.4 | 0 | 112.8 | | |
| 154 | T | 63.3 | Low | 62 | Low | 128 Ų | 128 | 164.5 Ų | 164.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -62 | 147.9 | -172.4 | -48.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 155 | E | 49.1 | Very low | 61 | Low | 182 Ų | 182 | 166.7 Ų | 166.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | -149.9 | 128.4 | 161.1 | -175.9 | 171.1 | 130.2 | 0 | 0 | 110.6 | | |
| 156 | N | 56.8 | Low | 59.9 | Low | 135 Ų | 135 | 167.6 Ų | 167.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | -78.9 | 140.9 | -172.7 | -74 | -112.3 | 0 | 0 | 0 | 111.3 | | |
| 157 | L | 60 | Low | 59.3 | Low | 176 Ų | 176 | 166.2 Ų | 166.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -141.1 | 123 | 144.2 | -75.2 | 180 | 0 | 0 | 0 | 112.7 | | |
| 158 | K | 59 | Low | 58.3 | Low | 178 Ų | 178 | 164.9 Ų | 164.9 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | | | trans | -45.9 | 156 | 174.7 | -120.6 | 95.5 | 159.4 | -177.2 | 0 | 114.5 | | |
| 159 | K | 59.6 | Low | 57.9 | Low | 163 Ų | 163 | 167.8 Ų | 167.8 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | | | | 93.5 | 120.2 | 128.9 | -83.6 | 168.1 | 178.4 | -179.7 | 0 | 119.4 | | |
| 160 | R | 53.5 | Low | 56.9 | Low | 227 Ų | 227 | 167.3 Ų | 167.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | 70.5 | 139.3 | 131.5 | -60.2 | 172.3 | -13.9 | 95.6 | 5.7 | 115 | | |
| 161 | G | 49.7 | Very low | 56.4 | Low | 60 Ų | 60 | 171.3 Ų | 171.3 | 62% | 0.619 | 82% | 0.821 | S | S | * | * | | | cis | -178.1 | 142.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | | |
| 162 | V | 55 | Low | 55.2 | Low | 128 Ų | 128 | 171.2 Ų | 171.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | | 72.2 | 117.6 | 102.8 | 177.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 163 | L | 46.4 | Very low | 54.7 | Low | 140 Ų | 140 | 170.8 Ų | 170.8 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | | | trans | 53.4 | 130.8 | 150 | -67.3 | 158.2 | 0 | 0 | 0 | 117 | | |
| 164 | W | 47.8 | Very low | 54.5 | Low | 323 Ų | 323 | 167.3 Ų | 167.3 | 100% | 1.223 | 82% | 0.815 | S | S | * | * | | | | -148.3 | 0 | 84.1 | -78.7 | 89.3 | 0 | 0 | 0 | 109.2 | | |