| 1 | M | 45.5 | Very low | 59.9 | Low | 243 Ų | 243 | 156.4 Ų | 156.4 | 100% | 1.197 | 81% | 0.811 | S | S | * | * | | | | 0 | 115.1 | 0 | -66.8 | -174.8 | -72.9 | 0 | 0 | 106.8 | | |
| 2 | L | 41.2 | Very low | 62.1 | Low | 176 Ų | 176 | 151.8 Ų | 151.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -80.6 | 125 | 179.2 | -83.4 | 163.3 | 0 | 0 | 0 | 109 | Q4 | L2-Q4 PolarHBondContact O-N 2.73Š|
| 3 | A | 55.3 | Low | 64.4 | Low | 96 Ų | 96 | 152.2 Ų | 152.2 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | | | trans | -69.4 | 116.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I5 | A3-I5 PolarHBondContact O-N 3.44Š|
| 4 | Q | 60.4 | Low | 66.4 | Low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -74.4 | 113.8 | 172 | -63 | -143.3 | 80.5 | 0 | 0 | 108 | L2 P6 | L2-Q4 PolarHBondContact O-N 2.73Å; Q4-P6 WeakPolarHBondContact O-CD 3.45Å |
| 5 | I | 62.8 | Low | 68.1 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123 | 172.4 | -60.5 | 170 | 0 | 0 | 0 | 106.5 | A3 R7 | A3-I5 PolarHBondContact O-N 3.44Å; I5-R7 PolarHBondContact O-N 3.17Å; I5-R7 VanDerWaalsContact O-N 3.14Å |
| 6 | P | 60.9 | Low | 69.6 | Low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.7 | 175.9 | -18 | 29.9 | 0 | 0 | 0 | 108.4 | Q4 | Q4-P6 WeakPolarHBondContact O-CD 3.45Š|
| 7 | R | 55.8 | Low | 71 | Confident | 214 Ų | 214 | 140.1 Ų | 140.1 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.8 | 174.5 | -174.2 | 176.2 | -178.5 | 167.1 | -0.9 | 107.4 | I5 E9 | I5-R7 PolarHBondContact O-N 3.17Å; I5-R7 VanDerWaalsContact O-N 3.14Å; R7-E9 PolarHBondContact O-N 3.25Å |
| 8 | P | 61.7 | Low | 72.3 | Confident | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | -58.2 | 115.5 | 173.3 | 5.6 | -4.2 | 0 | 0 | 0 | 107.4 | I10 | P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 3.03Å |
| 9 | E | 69.8 | Low | 73.4 | Confident | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | | | trans | -66.8 | 100.5 | 172.2 | -171.6 | 166.9 | -170.3 | 0 | 0 | 105.7 | R7 M11 | R7-E9 PolarHBondContact O-N 3.25Å; E9-M11 VanDerWaalsContact C-N 3.32Å; E9-M11 PolarHBondContact O-N 3.21Å |
| 10 | I | 69.2 | Low | 74.5 | Confident | 151 Ų | 151 | 134.6 Ų | 134.6 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | | | trans | -66.7 | 100.9 | 175.7 | -20.4 | 170.6 | 0 | 0 | 0 | 104 | P8 D12 | P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 3.03Å; I10-D12 PolarHBondContact O-N 3.37Å |
| 11 | M | 76.1 | Confident | 75.5 | Confident | 94 Ų | 94 | 133 Ų | 133 | 46% | 0.463 | 68% | 0.68 | S | S | . | * | | | trans | -59.6 | 138.3 | 177.7 | -71.6 | 177.1 | 59.8 | 0 | 0 | 108.4 | E9 E13 Q15 E19 | E9-M11 VanDerWaalsContact C-N 3.32Å; E9-M11 PolarHBondContact O-N 3.21Å; M11-E13 PolarHBondContact O-N 3.44Å; M11-Q15 HydrophobicContact CE-CG 4.21Å; M11-E19 WeakPolarHBondContact CE-OE2 3.16Å |
| 12 | D | 86.7 | Confident | 77.9 | Confident | 101 Ų | 101 | 125.8 Ų | 125.8 | 54% | 0.54 | 65% | 0.646 | S | S | . | * | | | trans | -53.1 | 136.2 | 173 | 174.9 | 39.4 | 0 | 0 | 0 | 110.1 | I10 D14 Q15 L16 | I10-D12 PolarHBondContact O-N 3.37Å; D12-D14 PolarHBondContact O-N 3.06Å; D12-Q15 HydrophobicContact CB-CB 3.92Å; D12-Q15 CarbonylContact O-C 3.59Å; D12-Q15 WeakPolarHBondContact O-CA 3.44Å; D12-Q15 WeakPolarHBondContact O-CB 3.3Å; D12-Q15 PolarHBondContact O-N 3.21Å; D12-L16 PolarHBondContact O-N 3.21Å |
| 13 | E | 91.6 | Very high | 80.3 | Confident | 157 Ų | 157 | 123.5 Ų | 123.5 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.6 | -36.3 | -173.3 | -67.8 | -175.8 | 179.6 | 0 | 0 | 111.1 | M11 L16 M17 | M11-E13 PolarHBondContact O-N 3.44Å; E13-L16 PolarHBondContact O-N 3.27Å; E13-M17 VanDerWaalsContact O-CB 3.28Å; E13-M17 WeakPolarHBondContact O-CB 3.41Å; E13-M17 PolarHBondContact O-N 3.18Å |
| 14 | D | 91.9 | Very high | 82.1 | Confident | 112 Ų | 112 | 126.4 Ų | 126.4 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -37.5 | 175.7 | -68.7 | -25.3 | 0 | 0 | 0 | 111.2 | D12 M17 K18 | D12-D14 PolarHBondContact O-N 3.06Å; D14-M17 PolarHBondContact O-N 2.85Å; D14-K18 VanDerWaalsContact O-CB 3.29Å; D14-K18 WeakPolarHBondContact O-CB 3.28Å; D14-K18 PolarHBondContact O-N 3.36Å |
| 15 | Q | 91.8 | Very high | 83.6 | Confident | 97 Ų | 97 | 122.8 Ų | 122.8 | 45% | 0.453 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.2 | -40.9 | 174.5 | -176.1 | 60 | 33.2 | 0 | 0 | 111.7 | M11 D12 K18 E19 | M11-Q15 HydrophobicContact CE-CG 4.21Å; D12-Q15 HydrophobicContact CB-CB 3.92Å; D12-Q15 CarbonylContact O-C 3.59Å; D12-Q15 WeakPolarHBondContact O-CA 3.44Å; D12-Q15 WeakPolarHBondContact O-CB 3.3Å; D12-Q15 PolarHBondContact O-N 3.21Å; Q15-K18 PolarHBondContact O-N 3.39Å; Q15-E19 PolarHBondContact O-N 3.44Å |
| 16 | L | 92.2 | Very high | 85 | Confident | 85 Ų | 85 | 120.3 Ų | 120.3 | 45% | 0.445 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 174.4 | 178.3 | 63.8 | 0 | 0 | 0 | 110.9 | D12 E13 K18 E19 V20 | D12-L16 PolarHBondContact O-N 3.21Å; E13-L16 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.25Å; L16-E19 PolarHBondContact O-N 3.18Å; L16-V20 HydrophobicContact CD1-CG2 4.4Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.76Å |
| 17 | M | 94.1 | Very high | 86.1 | Confident | 110 Ų | 110 | 118.9 Ų | 118.9 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.5 | -43 | 177.5 | -168.7 | -176.3 | -42.7 | 0 | 0 | 111 | E13 D14 V20 L21 | E13-M17 VanDerWaalsContact O-CB 3.28Å; E13-M17 WeakPolarHBondContact O-CB 3.41Å; E13-M17 PolarHBondContact O-N 3.18Å; D14-M17 PolarHBondContact O-N 2.85Å; M17-V20 PolarHBondContact O-N 3.45Å; M17-L21 HydrophobicContact CG-CD1 4.29Å; M17-L21 WeakPolarHBondContact O-CB 3.25Å; M17-L21 VanDerWaalsContact O-CG 3.28Å; M17-L21 WeakPolarHBondContact O-CG 3.19Å; M17-L21 PolarHBondContact O-N 3.09Å |
| 18 | K | 93.8 | Very high | 87.6 | Confident | 139 Ų | 139 | 115.5 Ų | 115.5 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.3 | -43.4 | 175.7 | -173.2 | 179.8 | 178.4 | -170.1 | 0 | 112.2 | D14 Q15 L16 L21 D22 | D14-K18 VanDerWaalsContact O-CB 3.29Å; D14-K18 WeakPolarHBondContact O-CB 3.28Å; D14-K18 PolarHBondContact O-N 3.36Å; Q15-K18 PolarHBondContact O-N 3.39Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.25Å; K18-L21 PolarHBondContact O-N 3.13Å; K18-D22 VanDerWaalsContact O-CB 3.25Å; K18-D22 WeakPolarHBondContact O-CB 3.29Å; K18-D22 PolarHBondContact O-N 3.26Å |
| 19 | E | 94.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 118.5 Ų | 118.5 | 41% | 0.407 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 176.1 | -175 | -175.2 | 155.7 | 0 | 0 | 112 | M11 Q15 L16 D22 K23 | M11-E19 WeakPolarHBondContact CE-OE2 3.16Å; Q15-E19 PolarHBondContact O-N 3.44Å; L16-E19 PolarHBondContact O-N 3.18Å; E19-D22 PolarHBondContact O-N 3.3Å; E19-K23 HydrophobicContact CG-CD 4.43Å; E19-K23 WeakPolarHBondContact O-CB 3.42Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 2.87Å |
| 20 | V | 94.6 | Very high | 89.9 | Confident | 83 Ų | 83 | 116.2 Ų | 116.2 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.2 | -45 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | L16 M17 K23 F24 | L16-V20 HydrophobicContact CD1-CG2 4.4Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.76Å; M17-V20 PolarHBondContact O-N 3.45Å; V20-K23 PolarHBondContact O-N 2.86Å; V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 2.85Å |
| 21 | L | 95.8 | Very high | 91 | Very high | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -43.3 | 176.9 | -71.4 | 174.6 | 0 | 0 | 0 | 111.5 | M17 K18 K23 F24 V25 | M17-L21 HydrophobicContact CG-CD1 4.29Å; M17-L21 WeakPolarHBondContact O-CB 3.25Å; M17-L21 VanDerWaalsContact O-CG 3.28Å; M17-L21 WeakPolarHBondContact O-CG 3.19Å; M17-L21 PolarHBondContact O-N 3.09Å; K18-L21 PolarHBondContact O-N 3.13Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 2.8Å; L21-F24 PolarHBondContact O-N 2.9Å; L21-V25 WeakPolarHBondContact O-CB 3.44Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.34Å; L21-V25 PolarHBondContact O-N 2.85Å |
| 22 | D | 95.2 | Very high | 91.5 | Very high | 92 Ų | 92 | 115.5 Ų | 115.5 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.9 | -47.6 | 175.8 | -176.3 | 83 | 0 | 0 | 0 | 110.9 | K18 E19 F24 V25 N26 | K18-D22 VanDerWaalsContact O-CB 3.25Å; K18-D22 WeakPolarHBondContact O-CB 3.29Å; K18-D22 PolarHBondContact O-N 3.26Å; E19-D22 PolarHBondContact O-N 3.3Å; D22-F24 VanDerWaalsContact C-N 3.32Å; D22-F24 PolarHBondContact O-N 2.91Å; D22-V25 PolarHBondContact O-N 3.33Å; D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 PolarHBondContact O-N 2.87Å; D22-N26 PolarHBondContact O-ND2 3.45Å; D22-N26 PolarHBondContact OD1-ND2 3.38Å; D22-N26 PolarHBondContact OD2-ND2 2.76Å |
| 23 | K | 92.8 | Very high | 91.7 | Very high | 128 Ų | 128 | 117 Ų | 117 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.4 | -43.9 | 175 | -77.1 | -179.9 | 65.5 | -112.8 | 0 | 112.2 | E19 V20 L21 N26 C27 | E19-K23 HydrophobicContact CG-CD 4.43Å; E19-K23 WeakPolarHBondContact O-CB 3.42Å; E19-K23 WeakPolarHBondContact O-CG 3.36Å; E19-K23 PolarHBondContact O-N 2.87Å; V20-K23 PolarHBondContact O-N 2.86Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 2.8Å; K23-N26 CarbonylContact O-C 3.56Å; K23-C27 PolarHBondContact O-N 3.24Å; K23-C27 PolarHBondContact O-SG 3.33Å |
| 24 | F | 91.8 | Very high | 91.6 | Very high | 157 Ų | 157 | 113.4 Ų | 113.4 | 69% | 0.689 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.9 | -45 | -179.5 | -178.3 | -100.1 | 0 | 0 | 0 | 112.4 | V20 L21 D22 N26 C27 | V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 2.85Å; L21-F24 PolarHBondContact O-N 2.9Å; D22-F24 VanDerWaalsContact C-N 3.32Å; D22-F24 PolarHBondContact O-N 2.91Å; F24-N26 VanDerWaalsContact C-N 3.31Å; F24-N26 PolarHBondContact O-N 3.04Å; F24-C27 WeakPolarHBondContact O-CB 3.28Å; F24-C27 PolarHBondContact O-N 2.94Å |
| 25 | V | 92.6 | Very high | 91.5 | Very high | 111 Ų | 111 | 112.5 Ų | 112.5 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -36.7 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L21 D22 C27 | L21-V25 WeakPolarHBondContact O-CB 3.44Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.34Å; L21-V25 PolarHBondContact O-N 2.85Å; D22-V25 PolarHBondContact O-N 3.33Å; V25-C27 VanDerWaalsContact C-N 3.32Å |
| 26 | N | 92.5 | Very high | 91.3 | Very high | 104 Ų | 104 | 111.3 Ų | 111.3 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.2 | 179.2 | -60.7 | -39.6 | 0 | 0 | 0 | 112.9 | D22 K23 F24 H28 | D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 PolarHBondContact O-N 2.87Å; D22-N26 PolarHBondContact O-ND2 3.45Å; D22-N26 PolarHBondContact OD1-ND2 3.38Å; D22-N26 PolarHBondContact OD2-ND2 2.76Å; K23-N26 CarbonylContact O-C 3.56Å; F24-N26 VanDerWaalsContact C-N 3.31Å; F24-N26 PolarHBondContact O-N 3.04Å; N26-H28 PolarHBondContact O-N 2.81Å |
| 27 | C | 84.8 | Confident | 90.8 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 57% | 0.568 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 132.2 | 175.4 | -84.3 | 0 | 0 | 0 | 0 | 110 | K23 F24 V25 | K23-C27 PolarHBondContact O-N 3.24Å; K23-C27 PolarHBondContact O-SG 3.33Å; F24-C27 WeakPolarHBondContact O-CB 3.28Å; F24-C27 PolarHBondContact O-N 2.94Å; V25-C27 VanDerWaalsContact C-N 3.32Å |
| 28 | H | 85.9 | Confident | 90.5 | Very high | 143 Ų | 143 | 109.3 Ų | 109.3 | 66% | 0.662 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 133.9 | 167.1 | -173.5 | 56.2 | 0 | 0 | 0 | 109.5 | N26 Q30 | N26-H28 PolarHBondContact O-N 2.81Å; H28-Q30 PolarHBondContact O-N 2.97Å |
| 29 | E | 90.1 | Very high | 90.1 | Very high | 171 Ų | 171 | 109 Ų | 109 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 120.5 | 167.8 | -70.9 | -177.8 | -179 | 0 | 0 | 108.6 | T31 | E29-T31 PolarHBondContact O-N 3.37Š|
| 30 | Q | 90.9 | Very high | 88.8 | Confident | 133 Ų | 133 | 109.8 Ų | 109.8 | 62% | 0.621 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 126.7 | 179 | -68.9 | -168.9 | -30.2 | 0 | 0 | 109.6 | H28 | H28-Q30 PolarHBondContact O-N 2.97Š|
| 31 | T | 91 | Very high | 87.5 | Confident | 67 Ų | 67 | 114 Ų | 114 | 41% | 0.411 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 153.3 | 168.9 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | E29 E33 E34 F35 | E29-T31 PolarHBondContact O-N 3.37Å; T31-E33 PolarHBondContact O-N 3.27Å; T31-E34 PolarHBondContact N-OE2 2.92Å; T31-E34 PolarHBondContact O-N 2.98Å; T31-E34 VanDerWaalsContact O-N 3.12Å; T31-E34 WeakPolarHBondContact OG1-CB 3.46Å; T31-E34 WeakPolarHBondContact OG1-CG 3.42Å; T31-E34 PolarHBondContact OG1-N 2.99Å; T31-E34 PolarHBondContact OG1-OE2 3.2Å; T31-F35 PolarHBondContact O-N 2.85Å |
| 32 | Y | 87.9 | Confident | 86.1 | Confident | 163 Ų | 163 | 116.4 Ų | 116.4 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.5 | -36.1 | 179.2 | -179.2 | -106.1 | 0 | 0 | 0 | 112.3 | F35 L36 | Y32-F35 PolarHBondContact O-N 3.49Å; Y32-L36 HydrophobicContact CD1-CD1 3.95Å; Y32-L36 HydrophobicContact CD1-CG 4.49Å; Y32-L36 HydrophobicContact CE1-CD1 3.41Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.41Å; Y32-L36 HydrophobicContact CE1-CG 4.15Å; Y32-L36 WeakPolarHBondContact O-CG 3.48Å; Y32-L36 PolarHBondContact O-N 3.42Å |
| 33 | E | 90.3 | Very high | 84.4 | Confident | 132 Ų | 132 | 117.6 Ų | 117.6 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.4 | -38 | 178 | -56.8 | -57.8 | 164.8 | 0 | 0 | 112.7 | T31 F35 L36 S37 | T31-E33 PolarHBondContact O-N 3.27Å; E33-F35 VanDerWaalsContact C-N 3.32Å; E33-L36 PolarHBondContact O-N 2.93Å; E33-S37 WeakPolarHBondContact O-CB 3.36Å; E33-S37 PolarHBondContact O-N 3Å |
| 34 | E | 90.1 | Very high | 83.1 | Confident | 82 Ų | 82 | 121 Ų | 121 | 38% | 0.383 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 172.9 | -77.1 | 166.4 | 152 | 0 | 0 | 111.1 | T31 L36 S37 T38 | T31-E34 PolarHBondContact N-OE2 2.92Å; T31-E34 PolarHBondContact O-N 2.98Å; T31-E34 VanDerWaalsContact O-N 3.12Å; T31-E34 WeakPolarHBondContact OG1-CB 3.46Å; T31-E34 WeakPolarHBondContact OG1-CG 3.42Å; T31-E34 PolarHBondContact OG1-N 2.99Å; T31-E34 PolarHBondContact OG1-OE2 3.2Å; E34-L36 PolarHBondContact O-N 3.37Å; E34-S37 WeakPolarHBondContact O-CB 3.49Å; E34-S37 PolarHBondContact O-N 2.87Å; E34-S37 PolarHBondContact O-OG 2.86Å; E34-T38 PolarHBondContact O-N 3.39Å |
| 35 | F | 89.9 | Confident | 81.3 | Confident | 94 Ų | 94 | 121.3 Ų | 121.3 | 41% | 0.412 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.7 | -47.7 | 172.7 | 172.4 | -99 | 0 | 0 | 0 | 111.1 | T31 Y32 E33 S37 T38 F39 | T31-F35 PolarHBondContact O-N 2.85Å; Y32-F35 PolarHBondContact O-N 3.49Å; E33-F35 VanDerWaalsContact C-N 3.32Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.19Å; F35-T38 WeakPolarHBondContact O-CB 3.39Å; F35-T38 PolarHBondContact O-N 3.31Å; F35-T38 VanDerWaalsContact O-N 3.11Å; F35-T38 PolarHBondContact O-OG1 3.27Å; F35-F39 HydrophobicContact CD1-CE2 4.37Å; F35-F39 HydrophobicContact CD2-CE2 4.46Å; F35-F39 AromaticContact CE1-CE2 3.78Å; F35-F39 HydrophobicContact CE1-CE2 3.78Å; F35-F39 AromaticContact CE2-CE2 3.89Å; F35-F39 HydrophobicContact CE2-CE2 3.89Å; F35-F39 HydrophobicContact CE2-CZ 4.42Å; F35-F39 AromaticContact CZ-CE2 3.52Å; F35-F39 HydrophobicContact CZ-CE2 3.52Å; F35-F39 HydrophobicContact CZ-CZ 4.06Å |
| 36 | L | 86.1 | Confident | 79.3 | Confident | 72 Ų | 72 | 122.2 Ų | 122.2 | 38% | 0.377 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.6 | -31.3 | 177.3 | -70.6 | -178.7 | 0 | 0 | 0 | 113.1 | Y32 E33 E34 T38 F39 | Y32-L36 HydrophobicContact CD1-CD1 3.95Å; Y32-L36 HydrophobicContact CD1-CG 4.49Å; Y32-L36 HydrophobicContact CE1-CD1 3.41Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.41Å; Y32-L36 HydrophobicContact CE1-CG 4.15Å; Y32-L36 WeakPolarHBondContact O-CG 3.48Å; Y32-L36 PolarHBondContact O-N 3.42Å; E33-L36 PolarHBondContact O-N 2.93Å; E34-L36 PolarHBondContact O-N 3.37Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-F39 PolarHBondContact O-N 3.2Å; L36-F39 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 83.1 | Confident | 77.6 | Confident | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.8 | -22.3 | 176 | 82.3 | 0 | 0 | 0 | 0 | 113.4 | E33 E34 F35 F39 T40 | E33-S37 WeakPolarHBondContact O-CB 3.36Å; E33-S37 PolarHBondContact O-N 3Å; E34-S37 WeakPolarHBondContact O-CB 3.49Å; E34-S37 PolarHBondContact O-N 2.87Å; E34-S37 PolarHBondContact O-OG 2.86Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.19Å; S37-F39 PolarHBondContact O-N 3.29Å; S37-T40 WeakPolarHBondContact CA-OG1 3.4Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 2.89Å |
| 38 | T | 87.9 | Confident | 76 | Confident | 84 Ų | 84 | 125.4 Ų | 125.4 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -17.5 | 173.6 | 65.1 | 0 | 0 | 0 | 0 | 113 | E34 F35 L36 | E34-T38 PolarHBondContact O-N 3.39Å; F35-T38 WeakPolarHBondContact O-CB 3.39Å; F35-T38 PolarHBondContact O-N 3.31Å; F35-T38 VanDerWaalsContact O-N 3.11Å; F35-T38 PolarHBondContact O-OG1 3.27Å; L36-T38 PolarHBondContact O-N 3.12Å |
| 39 | F | 83.8 | Confident | 74.1 | Confident | 134 Ų | 134 | 123 Ų | 123 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 2.8 | 177.7 | -65.2 | -79.8 | 0 | 0 | 0 | 114.1 | F35 L36 S37 H41 | F35-F39 HydrophobicContact CD1-CE2 4.37Å; F35-F39 HydrophobicContact CD2-CE2 4.46Å; F35-F39 AromaticContact CE1-CE2 3.78Å; F35-F39 HydrophobicContact CE1-CE2 3.78Å; F35-F39 AromaticContact CE2-CE2 3.89Å; F35-F39 HydrophobicContact CE2-CE2 3.89Å; F35-F39 HydrophobicContact CE2-CZ 4.42Å; F35-F39 AromaticContact CZ-CE2 3.52Å; F35-F39 HydrophobicContact CZ-CE2 3.52Å; F35-F39 HydrophobicContact CZ-CZ 4.06Å; L36-F39 PolarHBondContact O-N 3.2Å; L36-F39 VanDerWaalsContact O-N 3.12Å; S37-F39 PolarHBondContact O-N 3.29Å; F39-H41 PolarHBondContact O-N 3.45Å |
| 40 | T | 68.1 | Low | 72.2 | Confident | 103 Ų | 103 | 124.2 Ų | 124.2 | 63% | 0.632 | 64% | 0.641 | S | S | * | * | | | trans | -72.8 | 88.4 | -179.3 | -4.8 | 0 | 0 | 0 | 0 | 112 | S37 | S37-T40 WeakPolarHBondContact CA-OG1 3.4Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 2.89Å |
| 41 | H | 66.8 | Low | 69.5 | Low | 171 Ų | 171 | 129.9 Ų | 129.9 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | | | trans | -96.5 | 1.6 | 172 | -80 | -56 | 0 | 0 | 0 | 114.9 | F39 | F39-H41 PolarHBondContact O-N 3.45Š|
| 42 | L | 65.6 | Low | 66.7 | Low | 152 Ų | 152 | 130 Ų | 130 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | | | trans | -150.4 | 99.3 | -177.6 | -64 | 170.9 | 0 | 0 | 0 | 110.6 | K44 | L42-K44 PolarHBondContact O-N 2.91Š|
| 43 | S | 60.9 | Low | 64.6 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | | | trans | -69.5 | 115.6 | 167.8 | 65.3 | 0 | 0 | 0 | 0 | 108.6 | E45 | S43-E45 PolarHBondContact O-N 3.45Š|
| 44 | K | 64.9 | Low | 62 | Low | 200 Ų | 200 | 129 Ų | 129 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | | | trans | -76.9 | 105.3 | 165.9 | -63.9 | -167.7 | -179 | -175.4 | 0 | 107.1 | L42 D46 | L42-K44 PolarHBondContact O-N 2.91Å; K44-D46 PolarHBondContact O-N 3.33Å; K44-D46 VanDerWaalsContact O-N 3.15Å |
| 45 | E | 53.7 | Low | 60 | Low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | | | trans | -56.4 | 115.9 | 172.8 | -173.1 | 159 | -157 | 0 | 0 | 109.9 | S43 N47 | S43-E45 PolarHBondContact O-N 3.45Å; E45-N47 PolarHBondContact O-N 2.91Å; E45-N47 VanDerWaalsContact O-N 3.16Å; E45-N47 PolarHBondContact O-ND2 2.9Å; E45-N47 VanDerWaalsContact O-ND2 3.16Å |
| 46 | D | 51.1 | Low | 57.8 | Low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | -69.4 | 98.7 | 171.2 | -179.7 | 10.2 | 0 | 0 | 0 | 108.6 | K44 V48 | K44-D46 PolarHBondContact O-N 3.33Å; K44-D46 VanDerWaalsContact O-N 3.15Å; D46-V48 VanDerWaalsContact C-N 3.27Å; D46-V48 PolarHBondContact O-N 3.44Å; D46-V48 WeakPolarHBondContact OD1-CB 3.38Å; D46-V48 WeakPolarHBondContact OD1-CG2 3.47Å; D46-V48 PolarHBondContact OD1-N 2.85Å |
| 47 | N | 57.6 | Low | 56.1 | Low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | -86.5 | 69 | 169.5 | -70.2 | -89.5 | 0 | 0 | 0 | 109 | E45 | E45-N47 PolarHBondContact O-N 2.91Å; E45-N47 VanDerWaalsContact O-N 3.16Å; E45-N47 PolarHBondContact O-ND2 2.9Å; E45-N47 VanDerWaalsContact O-ND2 3.16Å |
| 48 | V | 50.2 | Low | 54.5 | Low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | | | trans | -130 | 121.5 | 168.2 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | D46 | D46-V48 VanDerWaalsContact C-N 3.27Å; D46-V48 PolarHBondContact O-N 3.44Å; D46-V48 WeakPolarHBondContact OD1-CB 3.38Å; D46-V48 WeakPolarHBondContact OD1-CG2 3.47Å; D46-V48 PolarHBondContact OD1-N 2.85Å |
| 49 | A | 47 | Very low | 53.3 | Low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 87.2 | 89 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 50 | K | 49.9 | Very low | 51.4 | Low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | | -162.5 | 123.3 | 112.7 | -129.5 | 176.2 | 169.7 | 179.6 | 0 | 113.2 | | |
| 51 | W | 33.1 | Very low | 50.3 | Low | 252 Ų | 252 | 141.7 Ų | 141.7 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | | | trans | 14.7 | 131.7 | 139.8 | -106.8 | -71.4 | 0 | 0 | 0 | 117.2 | | |
| 52 | G | 31.8 | Very low | 49.2 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | 169.7 | 170 | 30.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 53 | A | 45.6 | Very low | 47.8 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -58.7 | 170.2 | -157.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 54 | H | 35.1 | Very low | 46.5 | Very low | 190 Ų | 190 | 141 Ų | 141 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | 94.5 | 95.6 | 173.1 | -49.8 | -62.6 | 0 | 0 | 0 | 112.7 | | |
| 55 | G | 48.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | | 89.2 | 96.5 | 58.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 56 | T | 42.5 | Very low | 44.7 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | 166.8 | 146.4 | 136.3 | -40.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 57 | D | 51.7 | Low | 44.3 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 170.6 | -162.5 | -47.9 | -72.1 | 0 | 0 | 0 | 115.9 | | |
| 58 | S | 47.8 | Very low | 42.8 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 97.8 | 124.1 | 158.4 | -160.7 | 0 | 0 | 0 | 0 | 117 | | |
| 59 | S | 63.6 | Low | 42 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -51.1 | 131.8 | 173.8 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 60 | E | 44.6 | Very low | 41.8 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | 151.4 | 109.5 | 150.1 | -175.2 | 168.6 | -162 | 0 | 0 | 107.5 | | |
| 61 | N | 43.4 | Very low | 41.3 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -120.5 | 86.3 | 163.9 | -175.4 | 12.5 | 0 | 0 | 0 | 108.4 | F63 | N61-F63 PolarHBondContact O-N 3.27Š|
| 62 | I | 44.4 | Very low | 41.7 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | | 22.8 | 77.5 | 121.7 | -44.2 | 175.9 | 0 | 0 | 0 | 113.6 | S64 | I62-S64 PolarHBondContact O-N 3.45Å; I62-S64 VanDerWaalsContact O-N 3.16Å |
| 63 | F | 36.5 | Very low | 42 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -62.6 | 114.8 | 143.2 | -76.6 | -79.1 | 0 | 0 | 0 | 105.9 | N61 T65 | N61-F63 PolarHBondContact O-N 3.27Å; F63-T65 PolarHBondContact O-N 3.48Å |
| 64 | S | 33.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | trans | -54.8 | 102.8 | 175.6 | -71.9 | 0 | 0 | 0 | 0 | 109.1 | I62 V66 | I62-S64 PolarHBondContact O-N 3.45Å; I62-S64 VanDerWaalsContact O-N 3.16Å; S64-V66 PolarHBondContact O-N 3.43Å |
| 65 | T | 41.4 | Very low | 42.7 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -56.2 | 98.1 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | F63 K67 | F63-T65 PolarHBondContact O-N 3.48Å; T65-K67 PolarHBondContact O-N 2.96Å |
| 66 | V | 38.6 | Very low | 42.2 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | -81.1 | 97.5 | 151.1 | 171.9 | 0 | 0 | 0 | 0 | 106.8 | S64 W68 | S64-V66 PolarHBondContact O-N 3.43Å; V66-W68 PolarHBondContact O-N 2.96Å |
| 67 | K | 42.9 | Very low | 42.4 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | | | trans | -45.8 | 110.6 | 172.1 | -178.8 | -173 | 74.8 | -179 | 0 | 111.6 | T65 | T65-K67 PolarHBondContact O-N 2.96Š|
| 68 | W | 27.1 | Very low | 42.9 | Very low | 245 Ų | 245 | 136.7 Ų | 136.7 | 93% | 0.928 | 71% | 0.713 | S | S | * | * | | | trans | -115.3 | 115.8 | 158.3 | -166.2 | -99.4 | 0 | 0 | 0 | 108.7 | V66 | V66-W68 PolarHBondContact O-N 2.96Š|
| 69 | N | 32.1 | Very low | 42.5 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | | | trans | -70.2 | 135 | -172.8 | -62.6 | -62.6 | 0 | 0 | 0 | 110.9 | | |
| 70 | H | 43.3 | Very low | 42.1 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | | | trans | -100.6 | 135.3 | 178.2 | -160.7 | -78.5 | 0 | 0 | 0 | 110.9 | | |
| 71 | K | 38.8 | Very low | 42.9 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | | | trans | -177.7 | 119.2 | 156 | -105 | -175.6 | 179.3 | -168.6 | 0 | 105.2 | | |
| 72 | T | 41.6 | Very low | 43 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 52% | 0.521 | 69% | 0.693 | S | S | . | * | | | cis | -177.7 | 148.5 | 43 | -82.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 73 | E | 37.8 | Very low | 43.3 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | | | trans | 18.3 | 140.1 | 149.3 | -70.2 | 169.1 | 140.5 | 0 | 0 | 119.5 | | |
| 74 | S | 53.5 | Low | 43.6 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | | | cis | -179.3 | 162.7 | 22.3 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 75 | N | 42.8 | Very low | 43.9 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | | | trans | 69.5 | 117.3 | 150.4 | -61.4 | -43.6 | 0 | 0 | 0 | 119.8 | | |
| 76 | G | 37.6 | Very low | 43.8 | Very low | 52 Ų | 52 | 137.8 Ų | 137.8 | 54% | 0.536 | 69% | 0.688 | S | S | . | * | | | trans | 132.8 | 86.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S93 | G76-S93 PolarHBondContact N-OG 2.64Å; G76-S93 VanDerWaalsContact N-OG 3.08Å |
| 77 | R | 46.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 139 Ų | 139 | 54% | 0.54 | 68% | 0.684 | S | S | . | * | | | trans | 50.1 | 126.6 | 136.4 | -84.6 | -174.1 | 171.4 | -99.1 | 2.6 | 121 | E95 D96 | R77-E95 CarbonylContact C-O 3.39Å; R77-E95 WeakPolarHBondContact CA-O 3.17Å; R77-E95 HydrophobicContact CB-CG 4.42Å; R77-E95 WeakPolarHBondContact CB-O 3.28Å; R77-E95 HydrophobicContact CG-CG 3.29Å; R77-E95 WeakPolarHBondContact CG-O 3.47Å; R77-E95 WeakPolarHBondContact CG-OE1 3.47Å; R77-E95 IonicContact CZ-OE1 3.65Å; R77-E95 IonicContact NE-OE1 3.78Å; R77-E95 PolarHBondContact NE-OE1 3.47Å; R77-E95 VanDerWaalsContact NE-OE1 3.13Å; R77-E95 IonicContact NH2-OE1 2.77Å; R77-D96 VanDerWaalsContact CB-OD1 3.28Å; R77-D96 WeakPolarHBondContact CB-OD1 3.27Å; R77-D96 WeakPolarHBondContact CB-OD2 2.76Å; R77-D96 WeakPolarHBondContact CD-OD1 3.25Å; R77-D96 WeakPolarHBondContact CG-OD1 3.16Å; R77-D96 IonicContact CZ-OD1 3.85Å; R77-D96 IonicContact NE-OD1 3.13Å; R77-D96 IonicContact NH1-OD1 3.94Å; R77-D96 PolarHBondContact NH1-OD1 3.02Å |
| 78 | H | 62.4 | Low | 43.6 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 45% | 0.449 | 69% | 0.688 | S | S | . | * | | | trans | -83.7 | 128.9 | -162.5 | 118.8 | 4.9 | 0 | 0 | 0 | 116.6 | E95 D96 | H78-E95 PolarHBondContact N-O 2.98Å; H78-D96 VanDerWaalsContact C-OD2 3.22Å; H78-D96 HydrophobicContact CB-CB 3.87Å; H78-D96 PolarHBondContact CE1-O 3.25Å; H78-D96 PolarHBondContact N-OD2 2.59Å; H78-D96 WeakPolarHBondContact ND1-CB 3.07Å; H78-D96 PolarHBondContact ND1-O 3.31Å; H78-D96 WeakPolarHBondContact O-CB 3.28Å |
| 79 | F | 40.3 | Very low | 44.4 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | | | trans | -123.3 | 106.6 | 163.9 | -97.6 | -90.9 | 0 | 0 | 0 | 112.3 | | |
| 80 | R | 53.8 | Low | 45.4 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 51% | 0.513 | 69% | 0.692 | S | S | . | * | | | | 26.1 | 118.5 | 125 | -127.8 | -177.4 | 55.2 | -136.7 | 1.5 | 116.9 | T82 | R80-T82 PolarHBondContact O-N 3.3Š|
| 81 | N | 61.5 | Low | 45.4 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | | | trans | 20.1 | 89.4 | 151 | 71.4 | -30.9 | 0 | 0 | 0 | 117.4 | | |
| 82 | T | 46.8 | Very low | 45.6 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | | | trans | -127.9 | 143.9 | 151.2 | 52.7 | 0 | 0 | 0 | 0 | 109 | R80 I84 | R80-T82 PolarHBondContact O-N 3.3Å; T82-I84 PolarHBondContact O-N 3.5Å |
| 83 | S | 50.5 | Low | 45.7 | Very low | 91 Ų | 91 | 128 Ų | 128 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | | | trans | -45.8 | 135.6 | -178 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | F85 | S83-F85 VanDerWaalsContact C-N 3.29Å; S83-F85 PolarHBondContact O-N 3.2Å |
| 84 | I | 41.8 | Very low | 46.9 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | | | trans | -59.7 | 96.6 | 164.1 | -60.3 | 171.7 | 0 | 0 | 0 | 107.7 | T82 L86 | T82-I84 PolarHBondContact O-N 3.5Å; I84-L86 HydrophobicContact CG2-CD2 4.35Å; I84-L86 HydrophobicContact CG2-CG 3.82Å |
| 85 | F | 41 | Very low | 47.4 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 77% | 0.768 | 67% | 0.672 | S | S | * | * | | | trans | -73.9 | 114.3 | 136.5 | -82.5 | -87.5 | 0 | 0 | 0 | 106.4 | S83 H87 | S83-F85 VanDerWaalsContact C-N 3.29Å; S83-F85 PolarHBondContact O-N 3.2Å; F85-H87 PolarHBondContact O-N 2.88Å |
| 86 | L | 39.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 123 Ų | 123 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | | | trans | -67.2 | 98.6 | 164.4 | -85.1 | 161.4 | 0 | 0 | 0 | 108.1 | I84 | I84-L86 HydrophobicContact CG2-CD2 4.35Å; I84-L86 HydrophobicContact CG2-CG 3.82Å |
| 87 | H | 37.8 | Very low | 49.3 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | | | trans | -135.9 | 99.1 | 143.9 | -77.1 | -69 | 0 | 0 | 0 | 108.4 | F85 | F85-H87 PolarHBondContact O-N 2.88Š|
| 88 | T | 39.4 | Very low | 50.2 | Low | 119 Ų | 119 | 127.3 Ų | 127.3 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | | | trans | 41.1 | 116.5 | 142.8 | 58.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 89 | S | 44.2 | Very low | 50.5 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | | | trans | 93.9 | 148.9 | 154.2 | 80.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 90 | S | 51.4 | Low | 52.2 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | | | trans | -115.7 | 145.4 | -155.6 | 165 | 0 | 0 | 0 | 0 | 110.1 | | |
| 91 | E | 43.5 | Very low | 53.1 | Low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | | | trans | 177.5 | 112.1 | 138.4 | -95.6 | 165.5 | 175.8 | 0 | 0 | 112.9 | | |
| 92 | H | 44.1 | Very low | 53.8 | Low | 143 Ų | 143 | 132.6 Ų | 132.6 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | | | trans | 53.5 | 122.4 | 136.8 | -164 | -82.1 | 0 | 0 | 0 | 124.4 | | |
| 93 | S | 43.1 | Very low | 55.1 | Low | 47 Ų | 47 | 129.5 Ų | 129.5 | 33% | 0.329 | 70% | 0.697 | S | S | . | * | | | | 169.8 | 139.8 | 126.4 | -174.3 | 0 | 0 | 0 | 0 | 115.3 | G76 | G76-S93 PolarHBondContact N-OG 2.64Å; G76-S93 VanDerWaalsContact N-OG 3.08Å |
| 94 | E | 62.5 | Low | 56 | Low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | -75.8 | 159.8 | 177 | 174.9 | 177.3 | 175 | 0 | 0 | 113.8 | | |
| 95 | E | 65.3 | Low | 57.6 | Low | 100 Ų | 100 | 135.5 Ų | 135.5 | 47% | 0.467 | 71% | 0.709 | S | S | . | * | | | trans | 86.7 | 115.3 | 164.9 | 91.9 | -150.6 | -160.5 | 0 | 0 | 119.4 | R77 H78 | R77-E95 CarbonylContact C-O 3.39Å; R77-E95 WeakPolarHBondContact CA-O 3.17Å; R77-E95 HydrophobicContact CB-CG 4.42Å; R77-E95 WeakPolarHBondContact CB-O 3.28Å; R77-E95 HydrophobicContact CG-CG 3.29Å; R77-E95 WeakPolarHBondContact CG-O 3.47Å; R77-E95 WeakPolarHBondContact CG-OE1 3.47Å; R77-E95 IonicContact CZ-OE1 3.65Å; R77-E95 IonicContact NE-OE1 3.78Å; R77-E95 PolarHBondContact NE-OE1 3.47Å; R77-E95 VanDerWaalsContact NE-OE1 3.13Å; R77-E95 IonicContact NH2-OE1 2.77Å; H78-E95 PolarHBondContact N-O 2.98Å |
| 96 | D | 58.8 | Low | 58.8 | Low | 31 Ų | 31 | 133.1 Ų | 133.1 | 17% | 0.166 | 71% | 0.708 | C | S | . | * | | | trans | -172 | 96.4 | 154.6 | -101.9 | -12.8 | 0 | 0 | 0 | 110.8 | R77 H78 | R77-D96 VanDerWaalsContact CB-OD1 3.28Å; R77-D96 WeakPolarHBondContact CB-OD1 3.27Å; R77-D96 WeakPolarHBondContact CB-OD2 2.76Å; R77-D96 WeakPolarHBondContact CD-OD1 3.25Å; R77-D96 WeakPolarHBondContact CG-OD1 3.16Å; R77-D96 IonicContact CZ-OD1 3.85Å; R77-D96 IonicContact NE-OD1 3.13Å; R77-D96 IonicContact NH1-OD1 3.94Å; R77-D96 PolarHBondContact NH1-OD1 3.02Å; H78-D96 VanDerWaalsContact C-OD2 3.22Å; H78-D96 HydrophobicContact CB-CB 3.87Å; H78-D96 PolarHBondContact CE1-O 3.25Å; H78-D96 PolarHBondContact N-OD2 2.59Å; H78-D96 WeakPolarHBondContact ND1-CB 3.07Å; H78-D96 PolarHBondContact ND1-O 3.31Å; H78-D96 WeakPolarHBondContact O-CB 3.28Å |
| 97 | Q | 61.8 | Low | 59.8 | Low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | | | trans | -82.3 | 121.1 | 167.6 | -66.7 | -176.4 | 18.4 | 0 | 0 | 109 | | |
| 98 | I | 65.8 | Low | 61 | Low | 99 Ų | 99 | 126.5 Ų | 126.5 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | | | trans | -86.4 | 113.5 | 174.8 | 25 | 164.9 | 0 | 0 | 0 | 109.8 | | |
| 99 | V | 68.4 | Low | 62.2 | Low | 141 Ų | 141 | 126 Ų | 126 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 125.5 | 165.3 | 169.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 100 | I | 74.8 | Confident | 62.9 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 118.3 | 177.6 | -48.3 | 173.8 | 0 | 0 | 0 | 106.7 | | |
| 101 | D | 73.5 | Confident | 63.5 | Low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 158.8 | 170 | 57.7 | 14.9 | 0 | 0 | 0 | 111 | G103 | D101-G103 PolarHBondContact O-N 3.42Å; D101-G103 VanDerWaalsContact O-N 3.12Å |
| 102 | E | 76.1 | Confident | 64.2 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.5 | -174.3 | -170.6 | 176 | 176.1 | 0 | 0 | 110.7 | | |
| 103 | G | 73.4 | Confident | 65.1 | Low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 151.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D101 K105 | D101-G103 PolarHBondContact O-N 3.42Å; D101-G103 VanDerWaalsContact O-N 3.12Å; G103-K105 PolarHBondContact O-N 3.44Å |
| 104 | H | 70.2 | Confident | 65.9 | Low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.7 | 175.2 | 171.4 | -116.6 | 0 | 0 | 0 | 111.8 | V106 | H104-V106 WeakPolarHBondContact CE1-CG2 3.43Å; H104-V106 WeakPolarHBondContact ND1-CG2 3.5Å; H104-V106 PolarHBondContact O-N 2.98Å; H104-V106 VanDerWaalsContact O-N 3.13Å |
| 105 | K | 76.1 | Confident | 66 | Low | 196 Ų | 196 | 129.3 Ų | 129.3 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | | | trans | -76.7 | 95.1 | 176.3 | -178.1 | 176 | 160.8 | -168.9 | 0 | 110.9 | G103 G107 | G103-K105 PolarHBondContact O-N 3.44Å; K105-G107 PolarHBondContact O-N 3.05Å |
| 106 | V | 65.2 | Low | 65.7 | Low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | | | trans | -84.8 | 98.2 | 168.4 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | H104 | H104-V106 WeakPolarHBondContact CE1-CG2 3.43Å; H104-V106 WeakPolarHBondContact ND1-CG2 3.5Å; H104-V106 PolarHBondContact O-N 2.98Å; H104-V106 VanDerWaalsContact O-N 3.13Å |
| 107 | G | 60.5 | Low | 65.7 | Low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | | | trans | -133.8 | 123.7 | 160 | 0 | 0 | 0 | 0 | 0 | 108.1 | K105 S109 | K105-G107 PolarHBondContact O-N 3.05Å; G107-S109 PolarHBondContact O-N 3.32Å; G107-S109 VanDerWaalsContact O-N 3.08Å |
| 108 | S | 63.6 | Low | 65.8 | Low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -73.2 | 96.6 | 166 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | F110 | S108-F110 PolarHBondContact O-N 2.84Š|
| 109 | S | 63.9 | Low | 66 | Low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -76 | 104.2 | 160.8 | 59 | 0 | 0 | 0 | 0 | 106.5 | G107 Q111 | G107-S109 PolarHBondContact O-N 3.32Å; G107-S109 VanDerWaalsContact O-N 3.08Å; S109-Q111 PolarHBondContact O-N 2.82Å |
| 110 | F | 59.4 | Low | 66 | Low | 187 Ų | 187 | 136.7 Ų | 136.7 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | | | trans | -60.7 | 108.5 | 168.6 | -147.6 | -95.6 | 0 | 0 | 0 | 106.8 | S108 G112 | S108-F110 PolarHBondContact O-N 2.84Å; F110-G112 PolarHBondContact O-N 3.37Å |
| 111 | Q | 63.1 | Low | 65.9 | Low | 192 Ų | 192 | 138.9 Ų | 138.9 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | -73.6 | 68.9 | 168.8 | -172.1 | 159.9 | 9.7 | 0 | 0 | 107.4 | S109 D113 | S109-Q111 PolarHBondContact O-N 2.82Å; Q111-D113 PolarHBondContact O-N 3.33Å |
| 112 | G | 59.6 | Low | 65.8 | Low | 41 Ų | 41 | 137.6 Ų | 137.6 | 42% | 0.423 | 76% | 0.759 | S | S | . | * | | | trans | -74 | 119.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | F110 M114 | F110-G112 PolarHBondContact O-N 3.37Å; G112-M114 PolarHBondContact O-N 3.11Å |
| 113 | D | 61.3 | Low | 65.5 | Low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | trans | -56.3 | 106 | 172.1 | -178.8 | 4 | 0 | 0 | 0 | 110.1 | Q111 T115 | Q111-D113 PolarHBondContact O-N 3.33Å; D113-T115 PolarHBondContact O-N 2.65Å; D113-T115 VanDerWaalsContact OD1-CB 3.25Å; D113-T115 WeakPolarHBondContact OD1-CB 3.28Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.49Å; D113-T115 PolarHBondContact OD1-N 3.25Å; D113-T115 PolarHBondContact OD1-OG1 3.15Å; D113-T115 PolarHBondContact OD2-OG1 3.27Å; D113-T115 VanDerWaalsContact OD2-OG1 3.08Å |
| 114 | M | 61.7 | Low | 65.3 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -76.4 | 4.4 | 179.5 | -90.9 | 162.9 | 56.3 | 0 | 0 | 113.5 | G112 R116 A117 | G112-M114 PolarHBondContact O-N 3.11Å; M114-R116 PolarHBondContact O-N 3.16Å; M114-A117 PolarHBondContact O-N 3.25Å |
| 115 | T | 63 | Low | 65.4 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -66.5 | -7 | -175.3 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | D113 | D113-T115 PolarHBondContact O-N 2.65Å; D113-T115 VanDerWaalsContact OD1-CB 3.25Å; D113-T115 WeakPolarHBondContact OD1-CB 3.28Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.49Å; D113-T115 PolarHBondContact OD1-N 3.25Å; D113-T115 PolarHBondContact OD1-OG1 3.15Å; D113-T115 PolarHBondContact OD2-OG1 3.27Å; D113-T115 VanDerWaalsContact OD2-OG1 3.08Å |
| 116 | R | 60.3 | Low | 65 | Low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -123.6 | 27.7 | 175 | -150.8 | 177 | -178.1 | -112.6 | 1.8 | 114.3 | M114 G118 | M114-R116 PolarHBondContact O-N 3.16Å; R116-G118 PolarHBondContact O-N 3.23Å |
| 117 | A | 58.2 | Low | 65.1 | Low | 80 Ų | 80 | 137.1 Ų | 137.1 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | | | trans | -78.6 | 79.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M114 | M114-A117 PolarHBondContact O-N 3.25Š|
| 118 | G | 63.8 | Low | 65.3 | Low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | trans | -56.5 | 138.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R116 V120 | R116-G118 PolarHBondContact O-N 3.23Å; G118-V120 PolarHBondContact O-N 3.12Å |
| 119 | K | 70.9 | Confident | 65.3 | Low | 205 Ų | 205 | 145.2 Ų | 145.2 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | | | trans | -67.2 | 98.2 | -178.8 | -40.8 | -170.8 | -179.6 | -168.9 | 0 | 108.6 | K121 | K119-K121 PolarHBondContact O-N 3.21Š|
| 120 | V | 68.4 | Low | 65.3 | Low | 125 Ų | 125 | 147.2 Ų | 147.2 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | | | trans | -73.5 | 105.7 | 171.1 | 153.8 | 0 | 0 | 0 | 0 | 107.6 | G118 V122 | G118-V120 PolarHBondContact O-N 3.12Å; V120-V122 HydrophobicContact CG1-CG2 3.64Å |
| 121 | K | 71.9 | Confident | 65.4 | Low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -81.8 | 115.1 | 162.9 | -73.1 | -177.3 | 73.3 | -167.5 | 0 | 106.6 | K119 | K119-K121 PolarHBondContact O-N 3.21Š|
| 122 | V | 70.9 | Confident | 65.2 | Low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | | | trans | -89.5 | 103.8 | 169.6 | -168.5 | 0 | 0 | 0 | 0 | 106.1 | V120 N124 | V120-V122 HydrophobicContact CG1-CG2 3.64Å; V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 HydrophobicContact CG1-CB 4.01Å; V122-N124 PolarHBondContact O-N 3.46Å |
| 123 | D | 70.6 | Confident | 65.3 | Low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | -80.8 | 89.4 | 166.9 | -149.5 | -3 | 0 | 0 | 0 | 106.3 | F125 | D123-F125 PolarHBondContact O-N 3.46Š|
| 124 | N | 68.6 | Low | 65.3 | Low | 120 Ų | 120 | 151.2 Ų | 151.2 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | | | trans | -97.6 | 68.7 | -175.6 | -170.3 | 65.1 | 0 | 0 | 0 | 110.6 | V122 | V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 HydrophobicContact CG1-CB 4.01Å; V122-N124 PolarHBondContact O-N 3.46Å |
| 125 | F | 72.3 | Confident | 65.3 | Low | 174 Ų | 174 | 151.5 Ų | 151.5 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -130.1 | 105.5 | 160.6 | -59.5 | -78.3 | 0 | 0 | 0 | 106.5 | D123 | D123-F125 PolarHBondContact O-N 3.46Š|
| 126 | L | 68.4 | Low | 65.2 | Low | 157 Ų | 157 | 154.6 Ų | 154.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -78.7 | 122 | 163.2 | -68.3 | 173 | 0 | 0 | 0 | 106.2 | L128 | L126-L128 PolarHBondContact O-N 2.95Š|
| 127 | D | 66 | Low | 65.3 | Low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -64.4 | 119.2 | 172.1 | -70 | -39.2 | 0 | 0 | 0 | 108.1 | E129 | D127-E129 PolarHBondContact O-N 3.22Š|
| 128 | L | 65.6 | Low | 65.5 | Low | 169 Ų | 169 | 152.8 Ų | 152.8 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -72.9 | 24.7 | -177.1 | -74.5 | 166.2 | 0 | 0 | 0 | 113.4 | L126 | L126-L128 PolarHBondContact O-N 2.95Š|
| 129 | E | 63.7 | Low | 65.1 | Low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -111.8 | 57.8 | -175.5 | -160.8 | 171.2 | -137.7 | 0 | 0 | 111 | D127 | D127-E129 PolarHBondContact O-N 3.22Š|
| 130 | D | 64.2 | Low | 64.5 | Low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -138.9 | 56.5 | 155.6 | -72.2 | -37.4 | 0 | 0 | 0 | 107.3 | D132 | D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.25Å |
| 131 | V | 60.4 | Low | 63.3 | Low | 123 Ų | 123 | 155.4 Ų | 155.4 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | | | trans | -89.1 | 81.5 | 163.1 | -176.9 | 0 | 0 | 0 | 0 | 106.3 | M133 | V131-M133 VanDerWaalsContact C-N 3.35Å; V131-M133 PolarHBondContact O-N 3.16Å |
| 132 | D | 60.2 | Low | 62.7 | Low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | trans | -63.1 | 105.9 | 161.5 | -70.7 | -25.8 | 0 | 0 | 0 | 106.8 | D130 E134 | D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.25Å; D132-E134 PolarHBondContact O-N 2.88Å |
| 133 | M | 61.7 | Low | 62.3 | Low | 178 Ų | 178 | 153.6 Ų | 153.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 72.9 | 176.3 | -173.2 | -168.5 | -38.1 | 0 | 0 | 109.5 | V131 E135 | V131-M133 VanDerWaalsContact C-N 3.35Å; V131-M133 PolarHBondContact O-N 3.16Å; M133-E135 PolarHBondContact O-N 2.97Å |
| 134 | E | 59.8 | Low | 61.7 | Low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -85.6 | 87 | 168.8 | -179.2 | 173.9 | 143.1 | 0 | 0 | 108.5 | D132 | D132-E134 PolarHBondContact O-N 2.88Š|
| 135 | E | 61.6 | Low | 61.2 | Low | 167 Ų | 167 | 150.3 Ų | 150.3 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | 34.2 | 96.3 | 151.3 | -161.3 | 169.8 | -172.3 | 0 | 0 | 117.2 | M133 S137 | M133-E135 PolarHBondContact O-N 2.97Å; E135-S137 VanDerWaalsContact C-N 3.27Å; E135-S137 PolarHBondContact O-N 2.98Å |
| 136 | E | 60.7 | Low | 60.7 | Low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -52.1 | 86.1 | 159.9 | -175.9 | -175.4 | -166.4 | 0 | 0 | 110.8 | K138 | E136-K138 PolarHBondContact O-N 3.2Š|
| 137 | S | 63.8 | Low | 60.9 | Low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -75.1 | 114.5 | 164.5 | 66.4 | 0 | 0 | 0 | 0 | 108.2 | E135 | E135-S137 VanDerWaalsContact C-N 3.27Å; E135-S137 PolarHBondContact O-N 2.98Å |
| 138 | K | 61.2 | Low | 61.7 | Low | 178 Ų | 178 | 143.7 Ų | 143.7 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | | | trans | -52.5 | 129.3 | 170.8 | -67.3 | 176.4 | -179.7 | 175.4 | 0 | 108.2 | E136 Q140 | E136-K138 PolarHBondContact O-N 3.2Å; K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 3.14Å |
| 139 | P | 56.7 | Low | 61.8 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -66.2 | 103.2 | 162.3 | 13.6 | -6.3 | 0 | 0 | 0 | 106 | M141 | P139-M141 PolarHBondContact O-N 2.99Š|
| 140 | Q | 57.3 | Low | 62.1 | Low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | | | trans | -66.2 | 89.5 | 171.4 | -174.4 | 177.2 | -12.2 | 0 | 0 | 106.4 | K138 N142 | K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 3.14Å; Q140-N142 VanDerWaalsContact C-N 3.32Å; Q140-N142 PolarHBondContact O-N 2.95Å |
| 141 | M | 44 | Very low | 62.8 | Low | 156 Ų | 156 | 136.3 Ų | 136.3 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | | | trans | -63.8 | 98.1 | 175 | 23.9 | -165.9 | 77.6 | 0 | 0 | 107.3 | P139 | P139-M141 PolarHBondContact O-N 2.99Š|
| 142 | N | 60 | Low | 63.4 | Low | 87 Ų | 87 | 136.3 Ų | 136.3 | 47% | 0.465 | 73% | 0.729 | S | S | . | * | | | trans | -54.7 | 138.4 | 161.4 | 58.4 | -39.3 | 0 | 0 | 0 | 107.4 | Q140 D144 C145 | Q140-N142 VanDerWaalsContact C-N 3.32Å; Q140-N142 PolarHBondContact O-N 2.95Å; N142-D144 PolarHBondContact O-N 3.34Å; N142-C145 PolarHBondContact OD1-SG 2.98Å; N142-C145 VanDerWaalsContact OD1-SG 3.38Å |
| 143 | K | 60.9 | Low | 64 | Low | 188 Ų | 188 | 135.3 Ų | 135.3 | 82% | 0.817 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 9.4 | -171.1 | -64.2 | 175.4 | -179.3 | 173.6 | 0 | 113.2 | | |
| 144 | D | 58.1 | Low | 64.3 | Low | 102 Ų | 102 | 135.6 Ų | 135.6 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -8.5 | -172 | -44.3 | -42.3 | 0 | 0 | 0 | 111.6 | N142 L146 | N142-D144 PolarHBondContact O-N 3.34Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 3.31Å |
| 145 | C | 57.6 | Low | 64.4 | Low | 95 Ų | 95 | 134.4 Ų | 134.4 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 19.7 | -179.1 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | N142 L147 | N142-C145 PolarHBondContact OD1-SG 2.98Å; N142-C145 VanDerWaalsContact OD1-SG 3.38Å; C145-L147 VanDerWaalsContact C-N 3.29Å |
| 146 | L | 63.8 | Low | 64.4 | Low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 6 | 179.4 | -66 | -177.2 | 0 | 0 | 0 | 114 | D144 L148 | D144-L146 VanDerWaalsContact C-N 3.32Å; D144-L146 PolarHBondContact O-N 3.31Å; L146-L148 PolarHBondContact O-N 2.82Å |
| 147 | L | 72 | Confident | 64.3 | Low | 65 Ų | 65 | 130.2 Ų | 130.2 | 34% | 0.34 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 126.2 | 177.1 | -63 | -160.1 | 0 | 0 | 0 | 110.7 | C145 E151 E153 | C145-L147 VanDerWaalsContact C-N 3.29Å; L147-E151 HydrophobicContact CB-CB 4.13Å; L147-E151 HydrophobicContact CD1-CB 4.46Å; L147-E151 HydrophobicContact CD1-CG 4.47Å; L147-E151 HydrophobicContact CD2-CB 4.31Å; L147-E151 VanDerWaalsContact CD2-CD 3.47Å; L147-E151 HydrophobicContact CD2-CG 3.84Å; L147-E151 VanDerWaalsContact CD2-OE1 3.25Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.18Å; L147-E153 HydrophobicContact CD1-CB 4.25Å; L147-E153 HydrophobicContact CD1-CG 3.3Å; L147-E153 HydrophobicContact CG-CG 4.29Å |
| 148 | L | 82.4 | Confident | 64.2 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 155.9 | 172.3 | -62.5 | 179.2 | 0 | 0 | 0 | 109.8 | L146 G150 E151 | L146-L148 PolarHBondContact O-N 2.82Å; L148-G150 PolarHBondContact O-N 3.48Å; L148-E151 WeakPolarHBondContact O-CB 3.08Å; L148-E151 PolarHBondContact O-N 3.16Å |
| 149 | P | 66.8 | Low | 64.5 | Low | 137 Ų | 137 | 127.7 Ų | 127.7 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 117.1 | 175.7 | -25.5 | 34.3 | 0 | 0 | 0 | 111.3 | | |
| 150 | G | 71.9 | Confident | 64.9 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.6 | -6.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L148 | L148-G150 PolarHBondContact O-N 3.48Š|
| 151 | E | 77.3 | Confident | 65.1 | Low | 115 Ų | 115 | 125 Ų | 125 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | | | trans | -86.2 | 134.6 | 171.1 | -161.2 | 174.2 | 155.1 | 0 | 0 | 109.9 | L147 L148 | L147-E151 HydrophobicContact CB-CB 4.13Å; L147-E151 HydrophobicContact CD1-CB 4.46Å; L147-E151 HydrophobicContact CD1-CG 4.47Å; L147-E151 HydrophobicContact CD2-CB 4.31Å; L147-E151 VanDerWaalsContact CD2-CD 3.47Å; L147-E151 HydrophobicContact CD2-CG 3.84Å; L147-E151 VanDerWaalsContact CD2-OE1 3.25Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.18Å; L148-E151 WeakPolarHBondContact O-CB 3.08Å; L148-E151 PolarHBondContact O-N 3.16Å |
| 152 | V | 74.5 | Confident | 66 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | | | trans | -109.6 | 136 | 177 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | Q154 | V152-Q154 PolarHBondContact O-N 3.04Š|
| 153 | E | 72.4 | Confident | 66.4 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | | | trans | -58.8 | 127.8 | 175.8 | -68.1 | -173.2 | -170.2 | 0 | 0 | 109.5 | L147 D155 | L147-E153 HydrophobicContact CD1-CB 4.25Å; L147-E153 HydrophobicContact CD1-CG 3.3Å; L147-E153 HydrophobicContact CG-CG 4.29Å; E153-D155 PolarHBondContact O-N 3.25Å |
| 154 | Q | 67.8 | Low | 66.6 | Low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | | | trans | -76.1 | 111.9 | 172.3 | -72.1 | -179.7 | 15.9 | 0 | 0 | 108.2 | V152 I156 | V152-Q154 PolarHBondContact O-N 3.04Å; Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.28Å |
| 155 | D | 61 | Low | 66.4 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | | | trans | -60.2 | 95.2 | 170.9 | -73.7 | -37.1 | 0 | 0 | 0 | 109.7 | E153 S157 | E153-D155 PolarHBondContact O-N 3.25Å; D155-S157 PolarHBondContact O-N 3.2Å |
| 156 | I | 62 | Low | 66.2 | Low | 155 Ų | 155 | 126.1 Ų | 126.1 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | | | trans | -65.3 | 95.7 | 157.4 | 21.9 | 165.3 | 0 | 0 | 0 | 106.4 | Q154 T158 | Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.28Å; I156-T158 PolarHBondContact O-N 2.99Å |
| 157 | S | 59.3 | Low | 65.6 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | | | trans | -53.3 | 104.6 | 173.6 | -154.1 | 0 | 0 | 0 | 0 | 107.9 | D155 S159 | D155-S157 PolarHBondContact O-N 3.2Å; S157-S159 PolarHBondContact O-N 3.06Å |
| 158 | T | 61.4 | Low | 65 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | -71.5 | 76.2 | 171.3 | 36.7 | 0 | 0 | 0 | 0 | 106.8 | I156 V160 | I156-T158 PolarHBondContact O-N 2.99Å; T158-V160 VanDerWaalsContact C-N 3.3Å; T158-V160 PolarHBondContact O-N 3.29Å |
| 159 | S | 66.4 | Low | 63.4 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -61.8 | 99.8 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | S157 P161 | S157-S159 PolarHBondContact O-N 3.06Å; S159-P161 VanDerWaalsContact O-CD 3.3Å; S159-P161 WeakPolarHBondContact O-CD 3.13Å |
| 160 | V | 66.9 | Low | 62.5 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 119.2 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 106 | T158 S162 | T158-V160 VanDerWaalsContact C-N 3.3Å; T158-V160 PolarHBondContact O-N 3.29Å; V160-S162 PolarHBondContact O-N 3.2Å |
| 161 | P | 61.1 | Low | 61.4 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.1 | 170.5 | -16.5 | 30 | 0 | 0 | 0 | 107.5 | S159 Y163 | S159-P161 VanDerWaalsContact O-CD 3.3Å; S159-P161 WeakPolarHBondContact O-CD 3.13Å; P161-Y163 PolarHBondContact O-N 2.82Å; P161-Y163 VanDerWaalsContact O-N 3.13Å |
| 162 | S | 61.9 | Low | 59.6 | Low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.1 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | V160 D164 | V160-S162 PolarHBondContact O-N 3.2Å; S162-D164 PolarHBondContact O-N 3.34Å |
| 163 | Y | 67.9 | Low | 58.1 | Low | 205 Ų | 205 | 132.9 Ų | 132.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -74.4 | 108.3 | 173.1 | 177.2 | -99.1 | 0 | 0 | 0 | 108.9 | P161 P165 | P161-Y163 PolarHBondContact O-N 2.82Å; P161-Y163 VanDerWaalsContact O-N 3.13Å; Y163-P165 HydrophobicContact CE1-CB 4.27Å; Y163-P165 HydrophobicContact CE1-CG 4.33Å |
| 164 | D | 65.4 | Low | 56.9 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | trans | -84.2 | 119.6 | 167.6 | -100.2 | -38 | 0 | 0 | 0 | 109.3 | S162 S166 | S162-D164 PolarHBondContact O-N 3.34Å; D164-S166 PolarHBondContact O-N 2.95Å |
| 165 | P | 53.7 | Low | 55.4 | Low | 92 Ų | 92 | 133.1 Ų | 133.1 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | | | trans | -71.8 | 100.8 | 168.9 | -1.1 | 17.3 | 0 | 0 | 0 | 108.1 | Y163 V167 | Y163-P165 HydrophobicContact CE1-CB 4.27Å; Y163-P165 HydrophobicContact CE1-CG 4.33Å; P165-V167 PolarHBondContact O-N 3.08Å |
| 166 | S | 54.6 | Low | 55 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -65.7 | 113.7 | 171.5 | -167.6 | 0 | 0 | 0 | 0 | 109.3 | D164 | D164-S166 PolarHBondContact O-N 2.95Š|
| 167 | V | 50.1 | Low | 54.3 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -86.1 | 120 | 164.8 | -110.4 | 0 | 0 | 0 | 0 | 108.3 | P165 L169 | P165-V167 PolarHBondContact O-N 3.08Å; V167-L169 PolarHBondContact O-N 3.34Å |
| 168 | D | 60.3 | Low | 53.5 | Low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -57 | 124 | 174.1 | -74.2 | -42.4 | 0 | 0 | 0 | 112 | | |
| 169 | L | 48.3 | Very low | 52.6 | Low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 170 | 153.7 | 134.6 | -126.4 | 57.2 | 0 | 0 | 0 | 113.2 | V167 | V167-L169 PolarHBondContact O-N 3.34Š|
| 170 | P | 47.8 | Very low | 50.9 | Low | 98 Ų | 98 | 138.5 Ų | 138.5 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | | -120.7 | 151.6 | -57 | 33.4 | -18.3 | 0 | 0 | 0 | 112.9 | | |
| 171 | L | 48.9 | Very low | 49.5 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | 39.9 | 144 | 139.8 | -76.7 | 102.7 | 0 | 0 | 0 | 123.4 | | |
| 172 | T | 40.1 | Very low | 48.4 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | 84.7 | 129.8 | 162.2 | 78 | 0 | 0 | 0 | 0 | 113.1 | | |
| 173 | S | 42.5 | Very low | 47.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | cis | -160.3 | 118.6 | 24.8 | 166.5 | 0 | 0 | 0 | 0 | 106 | | |
| 174 | E | 47.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 63.8 | 124.8 | 104.7 | -131.2 | -179.3 | -150.5 | 0 | 0 | 116.2 | | |
| 175 | V | 36.8 | Very low | 44.8 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | 103 | 125.9 | 156.5 | -169.1 | 0 | 0 | 0 | 0 | 119 | | |
| 176 | R | 51.5 | Low | 44.9 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -50.6 | 165.9 | -178 | -100.1 | 177.3 | 112.1 | 177.7 | 5.6 | 117.7 | | |
| 177 | P | 47.3 | Very low | 44.7 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -84.7 | 160.6 | -179.2 | 36.6 | -33 | 0 | 0 | 0 | 112.5 | | |
| 178 | K | 42.3 | Very low | 44.4 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -138.3 | 133.1 | 163.2 | -160.5 | 163.9 | -176 | 164.5 | 0 | 111.9 | | |
| 179 | P | 42.6 | Very low | 43.9 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -94.8 | 149.5 | 179.1 | 36.7 | -30.7 | 0 | 0 | 0 | 111 | | |
| 180 | A | 31.5 | Very low | 44.3 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -173.1 | 116.6 | 148 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 181 | V | 36.6 | Very low | 45 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | | 49.4 | 116.5 | 125.5 | -170.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 182 | G | 39 | Very low | 45.6 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -177.1 | 114.1 | 160 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 183 | R | 37.5 | Very low | 46.7 | Very low | 243 Ų | 243 | 143.8 Ų | 143.8 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | | | trans | -62.9 | 148 | -178.8 | -82.2 | 168.5 | 159.9 | 168.2 | -6.9 | 114.3 | | |
| 184 | T | 38.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | 47.1 | 108.3 | 140.7 | -43.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 185 | Q | 43 | Very low | 48.5 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | | | trans | -146.9 | 71 | 151.5 | -159.5 | 169.3 | -7.2 | 0 | 0 | 110.6 | | |
| 186 | K | 55.3 | Low | 49.6 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | | | trans | -80.6 | 144.5 | 159.1 | -154.4 | 177.4 | -175.1 | -176.3 | 0 | 105.9 | | |
| 187 | Q | 50 | Low | 50.1 | Low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 96.9 | 31.1 | 172.1 | -49.3 | 174.1 | -18.8 | 0 | 0 | 119 | | |
| 188 | T | 45.3 | Very low | 50.5 | Low | 64 Ų | 64 | 132.9 Ų | 132.9 | 39% | 0.393 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -130.3 | -15.7 | 169.7 | -41.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 189 | E | 49.2 | Very low | 50.9 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 59% | 0.593 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.6 | -29.1 | 176.9 | -68.5 | -60.4 | 130.7 | 0 | 0 | 113.5 | L191 K192 Q193 | E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.13Å; E189-K192 PolarHBondContact O-N 3.08Å; E189-K192 IonicContact OE1-NZ 2.73Å; E189-K192 PolarHBondContact OE1-NZ 3.48Å; E189-Q193 PolarHBondContact O-N 3.01Å |
| 190 | E | 56.8 | Low | 51.1 | Low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.6 | -33.4 | 175.6 | -74.3 | -177.2 | 168.3 | 0 | 0 | 112.7 | K192 Q193 A194 | E190-K192 VanDerWaalsContact C-N 3.34Å; E190-Q193 PolarHBondContact O-N 2.81Å; E190-A194 PolarHBondContact O-N 3.03Å; E190-A194 VanDerWaalsContact O-N 3.09Å |
| 191 | L | 62.5 | Low | 52.1 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.5 | -31.1 | 179.3 | -142 | 155.3 | 0 | 0 | 0 | 111.2 | E189 L195 | E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.13Å; L191-L195 HydrophobicContact CD2-CD1 3.75Å; L191-L195 PolarHBondContact O-N 3.49Å |
| 192 | K | 61.1 | Low | 52.3 | Low | 118 Ų | 118 | 134.2 Ų | 134.2 | 51% | 0.513 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -72.4 | -39.6 | 174.9 | -65.8 | 178 | -173.1 | 167.6 | 0 | 112.2 | E189 E190 L195 F196 | E189-K192 PolarHBondContact O-N 3.08Å; E189-K192 IonicContact OE1-NZ 2.73Å; E189-K192 PolarHBondContact OE1-NZ 3.48Å; E190-K192 VanDerWaalsContact C-N 3.34Å; K192-L195 PolarHBondContact O-N 3.4Å; K192-F196 PolarHBondContact O-N 3.12Å |
| 193 | Q | 62.9 | Low | 52.1 | Low | 116 Ų | 116 | 134 Ų | 134 | 54% | 0.542 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -67.6 | -37.2 | 176.7 | -157.9 | 75.8 | 47.8 | 0 | 0 | 111.7 | E189 E190 F196 N197 | E189-Q193 PolarHBondContact O-N 3.01Å; E190-Q193 PolarHBondContact O-N 2.81Å; Q193-F196 PolarHBondContact O-N 2.91Å; Q193-N197 PolarHBondContact O-N 2.77Å; Q193-N197 PolarHBondContact O-ND2 2.72Å |
| 194 | A | 63.6 | Low | 52.1 | Low | 57 Ų | 57 | 131 Ų | 131 | 47% | 0.471 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -67 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E190 T198 | E190-A194 PolarHBondContact O-N 3.03Å; E190-A194 VanDerWaalsContact O-N 3.09Å; A194-T198 WeakPolarHBondContact O-CG2 3.44Å; A194-T198 PolarHBondContact O-N 3.39Å; A194-T198 PolarHBondContact O-OG1 3.08Å |
| 195 | L | 64 | Low | 52 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 60% | 0.602 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.1 | -33.2 | 173.8 | -92 | 152.2 | 0 | 0 | 0 | 113 | L191 K192 T198 | L191-L195 HydrophobicContact CD2-CD1 3.75Å; L191-L195 PolarHBondContact O-N 3.49Å; K192-L195 PolarHBondContact O-N 3.4Å; L195-T198 WeakPolarHBondContact CA-OG1 3.22Å; L195-T198 PolarHBondContact O-OG1 3.13Å |
| 196 | F | 61.7 | Low | 52 | Low | 152 Ų | 152 | 131.8 Ų | 131.8 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 174.9 | -174.9 | -99.7 | 0 | 0 | 0 | 112.1 | K192 Q193 T198 | K192-F196 PolarHBondContact O-N 3.12Å; Q193-F196 PolarHBondContact O-N 2.91Å; F196-T198 VanDerWaalsContact C-N 3.32Å; F196-T198 PolarHBondContact O-N 2.74Å |
| 197 | N | 60.7 | Low | 51.1 | Low | 108 Ų | 108 | 132.5 Ų | 132.5 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.2 | -11.9 | -177.7 | -65 | -22.5 | 0 | 0 | 0 | 114 | Q193 | Q193-N197 PolarHBondContact O-N 2.77Å; Q193-N197 PolarHBondContact O-ND2 2.72Å |
| 198 | T | 56 | Low | 50.8 | Low | 107 Ų | 107 | 135.5 Ų | 135.5 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 0.4 | -179.3 | 42.3 | 0 | 0 | 0 | 0 | 113.8 | A194 L195 F196 | A194-T198 WeakPolarHBondContact O-CG2 3.44Å; A194-T198 PolarHBondContact O-N 3.39Å; A194-T198 PolarHBondContact O-OG1 3.08Å; L195-T198 WeakPolarHBondContact CA-OG1 3.22Å; L195-T198 PolarHBondContact O-OG1 3.13Å; F196-T198 VanDerWaalsContact C-N 3.32Å; F196-T198 PolarHBondContact O-N 2.74Å |
| 199 | G | 50.5 | Low | 51.1 | Low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -100.5 | 3.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 200 | Q | 47.6 | Very low | 50.6 | Low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -95.4 | 10.9 | 179.7 | -97.1 | -161.7 | -0.5 | 0 | 0 | 114.9 | | |
| 201 | E | 50.9 | Low | 50.2 | Low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -116.4 | 124.7 | 172.7 | -69.1 | -97.9 | 143.1 | 0 | 0 | 108.4 | | |
| 202 | H | 41.8 | Very low | 49.8 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | | | trans | 93.4 | 101.5 | 175 | -57.2 | -85.5 | 0 | 0 | 0 | 119.2 | | |
| 203 | G | 34.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | | 117.1 | 104.7 | 118 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 204 | L | 37.9 | Very low | 48.6 | Very low | 181 Ų | 181 | 141 Ų | 141 | 95% | 0.948 | 74% | 0.742 | S | S | * | * | | | trans | 59.6 | 111.9 | 139 | -86.8 | 115.8 | 0 | 0 | 0 | 122.1 | | |
| 205 | A | 36.9 | Very low | 47.8 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | 161.1 | 137.5 | 130.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 206 | R | 41.9 | Very low | 46.8 | Very low | 218 Ų | 218 | 153.9 Ų | 153.9 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | | | cis | -167.7 | 145.1 | 7.9 | -109.5 | -158.4 | -89.6 | -166.9 | -4.8 | 107.2 | | |
| 207 | Y | 36.4 | Very low | 46 | Very low | 204 Ų | 204 | 154 Ų | 154 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | 55.8 | 107.7 | 152.5 | -75.3 | -101.3 | 0 | 0 | 0 | 120.7 | | |
| 208 | R | 44.7 | Very low | 45.3 | Very low | 236 Ų | 236 | 156.4 Ų | 156.4 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | | 80 | 153.5 | 76.1 | -112.4 | -150.1 | -179 | -165.8 | 6.2 | 115 | | |
| 209 | P | 51.3 | Low | 44.7 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | | | | -125.7 | 167.6 | -113.5 | 35.9 | -15.7 | 0 | 0 | 0 | 113.3 | | |
| 210 | G | 39.3 | Very low | 44.3 | Very low | 68 Ų | 68 | 164.6 Ų | 164.6 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | | | trans | 175.9 | 88.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 211 | I | 47.3 | Very low | 44.1 | Very low | 148 Ų | 148 | 163.7 Ų | 163.7 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | | | trans | 74.2 | 129.9 | 140.6 | -51.9 | 178.4 | 0 | 0 | 0 | 118.6 | | |
| 212 | P | 54.6 | Low | 43.7 | Very low | 113 Ų | 113 | 164.1 Ų | 164.1 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | | | trans | -89.3 | 145.7 | 179.1 | 36.9 | -32.7 | 0 | 0 | 0 | 112.2 | | |
| 213 | R | 46.3 | Very low | 43.8 | Very low | 225 Ų | 225 | 162.3 Ų | 162.3 | 85% | 0.849 | 84% | 0.841 | S | S | * | * | | | trans | -145.7 | 109.8 | 155.4 | -65.3 | -172.5 | -149.6 | -93.5 | -0.6 | 106.7 | | |
| 214 | E | 52.8 | Low | 44.5 | Very low | 162 Ų | 162 | 169.4 Ų | 169.4 | 76% | 0.757 | 85% | 0.85 | S | S | * | * | | | | 68.2 | 108.9 | 81.1 | -78.4 | -149.4 | -142.3 | 0 | 0 | 112.7 | | |
| 215 | W | 45.4 | Very low | 45 | Very low | 231 Ų | 231 | 168.4 Ų | 168.4 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | | | trans | 58 | 101.2 | 150.6 | -55 | 72.5 | 0 | 0 | 0 | 118.6 | | |
| 216 | C | 43.6 | Very low | 45.8 | Very low | 211 Ų | 211 | 175.5 Ų | 175.5 | 100% | 1.426 | 85% | 0.85 | S | S | * | * | | | trans | -149.7 | 0 | 130.8 | -104.1 | 0 | 0 | 0 | 0 | 108.7 | | |