| 1 | M | 50.4 | Low | 60.5 | Low | 244 Ų | 244 | 145.5 Ų | 145.5 | 100% | 1.202 | 79% | 0.785 | S | S | * | * | | | | 0 | 89 | 0 | -84.4 | 172.8 | 174.6 | 0 | 0 | 107.2 | | |
| 2 | E | 59.2 | Low | 60.7 | Low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -87.3 | 134.5 | 171.2 | -65.7 | -174.2 | 167.9 | 0 | 0 | 108.1 | E4 | E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.11Å |
| 3 | P | 63.6 | Low | 60.2 | Low | 98 Ų | 98 | 148.1 Ų | 148.1 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 100.5 | 175.6 | 29.7 | -31.1 | 0 | 0 | 0 | 108.7 | Y5 | P3-Y5 HydrophobicContact CB-CE2 4.19Å; P3-Y5 HydrophobicContact CG-CE2 4.12Å; P3-Y5 VanDerWaalsContact O-CD2 3.28Å; P3-Y5 WeakPolarHBondContact O-CD2 3.5Å; P3-Y5 PolarHBondContact O-N 3.37Å |
| 4 | E | 65 | Low | 59.8 | Low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 110 | 173.3 | -160.5 | 170.2 | -160.3 | 0 | 0 | 109.3 | E2 G6 | E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.11Å; E4-G6 PolarHBondContact O-N 3.14Å; E4-G6 VanDerWaalsContact O-N 3.13Å |
| 5 | Y | 57 | Low | 59.6 | Low | 211 Ų | 211 | 139.3 Ų | 139.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | trans | -81 | 86.6 | 177.7 | -73.3 | -89.4 | 0 | 0 | 0 | 110 | P3 V7 | P3-Y5 HydrophobicContact CB-CE2 4.19Å; P3-Y5 HydrophobicContact CG-CE2 4.12Å; P3-Y5 VanDerWaalsContact O-CD2 3.28Å; P3-Y5 WeakPolarHBondContact O-CD2 3.5Å; P3-Y5 PolarHBondContact O-N 3.37Å; Y5-V7 PolarHBondContact O-N 3.2Å |
| 6 | G | 67.6 | Low | 59.2 | Low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | -76.3 | 115.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E4 N8 | E4-G6 PolarHBondContact O-N 3.14Å; E4-G6 VanDerWaalsContact O-N 3.13Å; G6-N8 PolarHBondContact O-N 2.94Å |
| 7 | V | 60 | Low | 58.9 | Low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -76.4 | 100.6 | 170 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | Y5 V9 | Y5-V7 PolarHBondContact O-N 3.2Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 HydrophobicContact CG1-CG2 3.84Å; V7-V9 PolarHBondContact O-N 3.12Å |
| 8 | N | 60.1 | Low | 58.8 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | | | trans | -68.9 | 91 | 168.1 | -69 | -23.9 | 0 | 0 | 0 | 109.1 | G6 S10 | G6-N8 PolarHBondContact O-N 2.94Å; N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.47Å |
| 9 | V | 58.4 | Low | 58.8 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | | | trans | -76.4 | 89.1 | 165.7 | -172.5 | 0 | 0 | 0 | 0 | 106.8 | V7 N11 | V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 HydrophobicContact CG1-CG2 3.84Å; V7-V9 PolarHBondContact O-N 3.12Å; V9-N11 PolarHBondContact O-N 3.29Å; V9-N11 VanDerWaalsContact O-N 3.08Å |
| 10 | S | 63.4 | Low | 59 | Low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | trans | -60 | 115.7 | 166.3 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | N8 K12 | N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.47Å; S10-K12 PolarHBondContact O-N 3.27Å |
| 11 | N | 60.8 | Low | 59.4 | Low | 111 Ų | 111 | 127.9 Ų | 127.9 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | | | trans | -63.5 | 105.1 | 175.3 | -160.2 | -2.7 | 0 | 0 | 0 | 107.2 | V9 F13 A14 | V9-N11 PolarHBondContact O-N 3.29Å; V9-N11 VanDerWaalsContact O-N 3.08Å; N11-F13 PolarHBondContact O-N 3.2Å; N11-A14 HydrophobicContact CB-CB 4.34Å; N11-A14 PolarHBondContact O-N 3.47Å |
| 12 | K | 62.5 | Low | 60.8 | Low | 181 Ų | 181 | 120.5 Ų | 120.5 | 79% | 0.787 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -8.2 | -178 | -69.2 | -177 | 179.4 | 178.9 | 0 | 113.1 | S10 | S10-K12 PolarHBondContact O-N 3.27Š|
| 13 | F | 54.1 | Low | 62 | Low | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.632 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -1.4 | 179.5 | -56.2 | -61.8 | 0 | 0 | 0 | 113.9 | N11 A15 L16 | N11-F13 PolarHBondContact O-N 3.2Å; F13-A15 PolarHBondContact O-N 3.27Å; F13-L16 HydrophobicContact CB-CD1 4.08Å; F13-L16 HydrophobicContact CD1-CD1 3.44Å; F13-L16 VanDerWaalsContact CD1-CD1 3.44Å; F13-L16 HydrophobicContact CD1-CG 4.34Å; F13-L16 HydrophobicContact CE1-CD1 4.3Å; F13-L16 HydrophobicContact CG-CD1 4.19Å; F13-L16 WeakPolarHBondContact O-CB 3.43Å; F13-L16 PolarHBondContact O-N 3.22Å |
| 14 | A | 55.8 | Low | 62.7 | Low | 84 Ų | 84 | 118.7 Ų | 118.7 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -8.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | N11 | N11-A14 HydrophobicContact CB-CB 4.34Å; N11-A14 PolarHBondContact O-N 3.47Å |
| 15 | A | 55.6 | Low | 63.5 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 0.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F13 | F13-A15 PolarHBondContact O-N 3.27Š|
| 16 | L | 54.1 | Low | 64.5 | Low | 85 Ų | 85 | 108 Ų | 108 | 45% | 0.445 | 63% | 0.625 | S | S | . | * | | | trans | -94 | 8.4 | 176.7 | -64.1 | 178.2 | 0 | 0 | 0 | 113 | F13 D18 D19 | F13-L16 HydrophobicContact CB-CD1 4.08Å; F13-L16 HydrophobicContact CD1-CD1 3.44Å; F13-L16 VanDerWaalsContact CD1-CD1 3.44Å; F13-L16 HydrophobicContact CD1-CG 4.34Å; F13-L16 HydrophobicContact CE1-CD1 4.3Å; F13-L16 HydrophobicContact CG-CD1 4.19Å; F13-L16 WeakPolarHBondContact O-CB 3.43Å; F13-L16 PolarHBondContact O-N 3.22Å; L16-D18 PolarHBondContact O-N 2.78Å; L16-D19 VanDerWaalsContact CD2-OD2 3.28Å; L16-D19 WeakPolarHBondContact CD2-OD2 3.26Å; L16-D19 WeakPolarHBondContact O-CB 3.39Å; L16-D19 PolarHBondContact O-N 3.29Å |
| 17 | G | 54 | Low | 65.1 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -4.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 18 | D | 57.4 | Low | 66.4 | Low | 117 Ų | 117 | 106.6 Ų | 106.6 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 2.6 | 175.3 | -77.6 | -20.2 | 0 | 0 | 0 | 112.7 | L16 D20 L21 | L16-D18 PolarHBondContact O-N 2.78Å; D18-D20 PolarHBondContact O-N 2.94Å; D18-L21 PolarHBondContact O-N 3.29Å |
| 19 | D | 58.4 | Low | 67.5 | Low | 113 Ų | 113 | 103.8 Ų | 103.8 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -6.2 | -179.8 | -71.6 | -15.7 | 0 | 0 | 0 | 113.5 | L16 L21 | L16-D19 VanDerWaalsContact CD2-OD2 3.28Å; L16-D19 WeakPolarHBondContact CD2-OD2 3.26Å; L16-D19 WeakPolarHBondContact O-CB 3.39Å; L16-D19 PolarHBondContact O-N 3.29Å; D19-L21 VanDerWaalsContact C-N 3.31Å |
| 20 | D | 62.4 | Low | 68.6 | Low | 159 Ų | 159 | 105 Ų | 105 | 85% | 0.85 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -6.2 | 174.8 | -68.8 | -31.9 | 0 | 0 | 0 | 112.9 | D18 D22 | D18-D20 PolarHBondContact O-N 2.94Å; D20-D22 PolarHBondContact O-N 3.43Å |
| 21 | L | 68 | Low | 69.6 | Low | 63 Ų | 63 | 105 Ų | 105 | 33% | 0.33 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -79.6 | 115.3 | 172.1 | -74.2 | 163 | 0 | 0 | 0 | 109.6 | D18 D19 D25 L26 | D18-L21 PolarHBondContact O-N 3.29Å; D19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 4.09Å; L21-L26 HydrophobicContact CB-CD2 4.22Å; L21-L26 HydrophobicContact CB-CG 4.09Å; L21-L26 HydrophobicContact CD1-CD2 4.13Å |
| 22 | D | 80.4 | Confident | 70.6 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | | | trans | -48.9 | 134.8 | 173.7 | -166.9 | -23.7 | 0 | 0 | 0 | 108.9 | D20 F24 D25 L26 | D20-D22 PolarHBondContact O-N 3.43Å; D22-F24 CarbonylContact O-C 3.45Å; D22-F24 PolarHBondContact O-N 3.21Å; D22-D25 WeakPolarHBondContact O-CA 3.2Å; D22-D25 WeakPolarHBondContact O-CB 3.28Å; D22-D25 PolarHBondContact O-N 3.1Å; D22-L26 PolarHBondContact O-N 3.42Å |
| 23 | P | 82.5 | Confident | 71.6 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -47.4 | -24.7 | 176.2 | 14 | -31.7 | 0 | 0 | 0 | 114.7 | L27 | P23-L27 PolarHBondContact O-N 2.75Å |
| 24 | F | 79.5 | Confident | 72.7 | Confident | 155 Ų | 155 | 99.4 Ų | 99.4 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.9 | -36.2 | 171.3 | -80.2 | -80.7 | 0 | 0 | 0 | 114.5 | D22 L27 A28 | D22-F24 CarbonylContact O-C 3.45Å; D22-F24 PolarHBondContact O-N 3.21Å; F24-L27 PolarHBondContact O-N 3.27Å; F24-A28 PolarHBondContact O-N 2.82Å |
| 25 | D | 81.7 | Confident | 73.7 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.6 | -36.7 | 178.2 | -73.3 | -22 | 0 | 0 | 0 | 111.4 | L21 D22 L27 A28 L29 | L21-D25 HydrophobicContact CD2-CB 4.09Å; D22-D25 WeakPolarHBondContact O-CA 3.2Å; D22-D25 WeakPolarHBondContact O-CB 3.28Å; D22-D25 PolarHBondContact O-N 3.1Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.37Å; D25-A28 PolarHBondContact O-N 3Å; D25-L29 WeakPolarHBondContact O-CG 3.4Å; D25-L29 PolarHBondContact O-N 3.05Å |
| 26 | L | 78 | Confident | 74.4 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 171.7 | -70.7 | 173 | 0 | 0 | 0 | 112 | L21 D22 Y30 | L21-L26 HydrophobicContact CB-CD2 4.22Å; L21-L26 HydrophobicContact CB-CG 4.09Å; L21-L26 HydrophobicContact CD1-CD2 4.13Å; D22-L26 PolarHBondContact O-N 3.42Å; L26-Y30 WeakPolarHBondContact O-CB 3.3Å; L26-Y30 PolarHBondContact O-N 3.13Å |
| 27 | L | 80.2 | Confident | 74.9 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.2 | -94.6 | 159.9 | 0 | 0 | 0 | 112 | P23 F24 D25 Y30 V31 | P23-L27 PolarHBondContact O-N 2.75Å; F24-L27 PolarHBondContact O-N 3.27Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.37Å; L27-Y30 PolarHBondContact O-N 3.11Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.75Å |
| 28 | A | 86.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 101.1 Ų | 101.1 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F24 D25 Y30 V31 E32 | F24-A28 PolarHBondContact O-N 2.82Å; D25-A28 PolarHBondContact O-N 3Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 2.78Å; A28-V31 PolarHBondContact O-N 2.88Å; A28-E32 PolarHBondContact O-N 3.28Å |
| 29 | L | 83.4 | Confident | 75.2 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.9 | -72.1 | 172.9 | 0 | 0 | 0 | 112.2 | D25 K33 | D25-L29 WeakPolarHBondContact O-CG 3.4Å; D25-L29 PolarHBondContact O-N 3.05Å; L29-K33 VanDerWaalsContact O-CB 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.27Å; L29-K33 PolarHBondContact O-N 3.28Å |
| 30 | Y | 81.9 | Confident | 75.2 | Confident | 150 Ų | 150 | 95.4 Ų | 95.4 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 176.2 | -174.4 | -104 | 0 | 0 | 0 | 112.2 | L26 L27 A28 K33 N34 | L26-Y30 WeakPolarHBondContact O-CB 3.3Å; L26-Y30 PolarHBondContact O-N 3.13Å; L27-Y30 PolarHBondContact O-N 3.11Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 2.78Å; Y30-K33 PolarHBondContact O-N 3.42Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.42Å; Y30-N34 WeakPolarHBondContact O-CB 3.01Å; Y30-N34 VanDerWaalsContact O-CG 3.31Å; Y30-N34 PolarHBondContact O-N 3.02Å; Y30-N34 VanDerWaalsContact O-N 3.07Å; Y30-N34 PolarHBondContact O-ND2 2.78Å |
| 31 | V | 85.3 | Confident | 75 | Confident | 95 Ų | 95 | 92.6 Ų | 92.6 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | L27 A28 N34 A35 | L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.75Å; A28-V31 PolarHBondContact O-N 2.88Å; V31-N34 PolarHBondContact O-N 2.9Å; V31-A35 WeakPolarHBondContact O-CB 3.49Å; V31-A35 PolarHBondContact O-N 3.37Å |
| 32 | E | 82.2 | Confident | 74.5 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.6 | -81.9 | -159.7 | -174.5 | 0 | 0 | 113 | A28 N34 A35 K36 | A28-E32 PolarHBondContact O-N 3.28Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 2.68Å; E32-A35 PolarHBondContact O-N 3.15Å; E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 3.39Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 2.72Å |
| 33 | K | 81.6 | Confident | 73.5 | Confident | 160 Ų | 160 | 101.5 Ų | 101.5 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | -179.9 | -168.4 | 174.2 | -178.9 | 177 | 0 | 111.3 | L29 Y30 S37 | L29-K33 VanDerWaalsContact O-CB 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.27Å; L29-K33 PolarHBondContact O-N 3.28Å; Y30-K33 PolarHBondContact O-N 3.42Å; K33-S37 PolarHBondContact O-N 3.48Å; K33-S37 PolarHBondContact O-OG 3.17Å |
| 34 | N | 78.9 | Confident | 72.1 | Confident | 59 Ų | 59 | 104.6 Ų | 104.6 | 32% | 0.316 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.6 | -26.4 | 177.2 | -67.2 | -34.1 | 0 | 0 | 0 | 113.4 | Y30 V31 E32 S37 N38 | Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.42Å; Y30-N34 WeakPolarHBondContact O-CB 3.01Å; Y30-N34 VanDerWaalsContact O-CG 3.31Å; Y30-N34 PolarHBondContact O-N 3.02Å; Y30-N34 VanDerWaalsContact O-N 3.07Å; Y30-N34 PolarHBondContact O-ND2 2.78Å; V31-N34 PolarHBondContact O-N 2.9Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 2.68Å; N34-S37 PolarHBondContact O-OG 3.03Å; N34-S37 VanDerWaalsContact O-OG 3.05Å; N34-N38 PolarHBondContact O-N 3.32Å; N34-N38 PolarHBondContact O-ND2 3.5Å |
| 35 | A | 76 | Confident | 70.7 | Confident | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V31 E32 A39 | V31-A35 WeakPolarHBondContact O-CB 3.49Å; V31-A35 PolarHBondContact O-N 3.37Å; E32-A35 PolarHBondContact O-N 3.15Å; A35-A39 PolarHBondContact O-N 3.14Å |
| 36 | K | 70 | Confident | 69.3 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.4 | -36.2 | 179.4 | -70.8 | 166.9 | -170.4 | 161.8 | 0 | 112.7 | E32 A39 A40 | E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 3.39Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 2.72Å; K36-A39 PolarHBondContact O-N 2.67Å; K36-A40 PolarHBondContact O-N 2.94Å |
| 37 | S | 65 | Low | 67.8 | Low | 51 Ų | 51 | 108.7 Ų | 108.7 | 36% | 0.357 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -45.9 | 175.2 | 57.6 | 0 | 0 | 0 | 0 | 112 | K33 N34 A39 A40 D41 | K33-S37 PolarHBondContact O-N 3.48Å; K33-S37 PolarHBondContact O-OG 3.17Å; N34-S37 PolarHBondContact O-OG 3.03Å; N34-S37 VanDerWaalsContact O-OG 3.05Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 2.88Å; S37-A40 PolarHBondContact O-N 2.86Å; S37-A40 VanDerWaalsContact O-N 3.16Å; S37-D41 PolarHBondContact O-N 3.27Å |
| 38 | N | 58.8 | Low | 66.4 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -28.3 | 178.1 | -74.7 | -47.8 | 0 | 0 | 0 | 113.7 | N34 | N34-N38 PolarHBondContact O-N 3.32Å; N34-N38 PolarHBondContact O-ND2 3.5Å |
| 39 | A | 59.1 | Low | 64.6 | Low | 60 Ų | 60 | 114.2 Ų | 114.2 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.1 | -30.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A35 K36 S37 | A35-A39 PolarHBondContact O-N 3.14Å; K36-A39 PolarHBondContact O-N 2.67Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 2.88Å |
| 40 | A | 58.8 | Low | 62.9 | Low | 49 Ų | 49 | 117.8 Ų | 117.8 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.8 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K36 S37 K43 K44 | K36-A40 PolarHBondContact O-N 2.94Å; S37-A40 PolarHBondContact O-N 2.86Å; S37-A40 VanDerWaalsContact O-N 3.16Å; A40-K43 PolarHBondContact O-N 3.02Å; A40-K44 PolarHBondContact O-N 3.1Å |
| 41 | D | 57.5 | Low | 61.2 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73 | -32.8 | -179.8 | -68 | -27.6 | 0 | 0 | 0 | 112.5 | S37 K43 K44 S45 | S37-D41 PolarHBondContact O-N 3.27Å; D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.08Å; D41-K44 PolarHBondContact O-N 3.03Å; D41-S45 PolarHBondContact O-N 3.27Å; D41-S45 PolarHBondContact O-OG 2.83Å |
| 42 | K | 58.4 | Low | 59.2 | Low | 163 Ų | 163 | 121.3 Ų | 121.3 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -21.2 | 172.7 | -81.4 | -178.3 | 177.1 | 175.4 | 0 | 114.6 | S45 | K42-S45 PolarHBondContact O-OG 3.46Å |
| 43 | K | 57.8 | Low | 57.2 | Low | 175 Ų | 175 | 121.4 Ų | 121.4 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -86.4 | -21.3 | 174.6 | -80.3 | -175.7 | 177.8 | 177.8 | 0 | 113 | A40 D41 | A40-K43 PolarHBondContact O-N 3.02Å; D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.08Å |
| 44 | K | 53.3 | Low | 55.4 | Low | 156 Ų | 156 | 118 Ų | 118 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.6 | -31 | 176.1 | -72.4 | -178.2 | 179.4 | 175.6 | 0 | 112.8 | A40 D41 | A40-K44 PolarHBondContact O-N 3.1Å; D41-K44 PolarHBondContact O-N 3.03Å |
| 45 | S | 51.6 | Low | 53.5 | Low | 65 Ų | 65 | 122.3 Ų | 122.3 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -72.6 | -31.1 | 176 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | D41 K42 K47 | D41-S45 PolarHBondContact O-N 3.27Å; D41-S45 PolarHBondContact O-OG 2.83Å; K42-S45 PolarHBondContact O-OG 3.46Å; S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact O-N 2.71Å |
| 46 | K | 52.3 | Low | 52 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -6.8 | 179.5 | -116.7 | -179.9 | -177.6 | -177.4 | 0 | 116 | | |
| 47 | K | 46 | Very low | 50.9 | Low | 179 Ų | 179 | 124 Ų | 124 | 78% | 0.778 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -5.3 | -179.6 | -162.5 | 169.3 | -178.9 | 178.1 | 0 | 113.4 | S45 | S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact O-N 2.71Å |
| 48 | V | 49.7 | Very low | 50.1 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -18.8 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 49 | E | 50.2 | Low | 49.1 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -1.4 | -179.4 | -75.1 | -179.9 | 155.8 | 0 | 0 | 115.6 | | |
| 50 | E | 46.4 | Very low | 48.3 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 4.5 | -179.4 | -154.5 | 178.1 | 170.8 | 0 | 0 | 114 | | |
| 51 | K | 46.6 | Very low | 47.6 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -125.5 | 14 | -174.6 | -69.7 | -167.4 | 175.5 | -171.9 | 0 | 116 | | |
| 52 | V | 43.7 | Very low | 47 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -122.9 | 7.4 | -178.3 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 53 | A | 40.4 | Very low | 46.3 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -96.4 | 13.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 54 | A | 42.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -133.1 | 79.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 55 | T | 39.4 | Very low | 45.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | 165.3 | 92.9 | 151.3 | 31.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 56 | A | 44.5 | Very low | 44.8 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -107.5 | 135.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 57 | P | 46.9 | Very low | 44.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -106.9 | 128.2 | 163.9 | 32.8 | -22.8 | 0 | 0 | 0 | 111.3 | | |
| 58 | D | 48.2 | Very low | 44.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 152.8 | 174.9 | -86.5 | -36.8 | 0 | 0 | 0 | 113.3 | | |
| 59 | R | 38.9 | Very low | 44.5 | Very low | 225 Ų | 225 | 143 Ų | 143 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | | | trans | -87.2 | 152.6 | -178 | -69.6 | 174.4 | 169.1 | 163.1 | -4.4 | 112.6 | | |
| 60 | N | 41 | Very low | 44.3 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | 78 | 128 | 153.1 | -61.3 | -18 | 0 | 0 | 0 | 118.2 | | |
| 61 | V | 45.7 | Very low | 45.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | | 164.7 | 109.4 | 118.7 | 161.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 62 | V | 43.7 | Very low | 45.4 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | | 73.9 | 117.9 | 129.6 | -179 | 0 | 0 | 0 | 0 | 121.4 | | |
| 63 | S | 43.5 | Very low | 45.5 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | 65.8 | 123.3 | 140.9 | 69.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 64 | L | 45.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | | 42.7 | 111.2 | 124.4 | -56.6 | 167.2 | 0 | 0 | 0 | 116.2 | | |
| 65 | N | 47 | Very low | 46.1 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | | -171.3 | 137.4 | 110.6 | -86.6 | -35.6 | 0 | 0 | 0 | 113.3 | | |
| 66 | L | 39 | Very low | 46.8 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -61.6 | 142 | 168.7 | -171.4 | 67.9 | 0 | 0 | 0 | 110.6 | | |
| 67 | E | 46.2 | Very low | 47 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 62% | 0.621 | 80% | 0.796 | S | S | * | * | | | trans | 141.3 | 125.6 | 137.2 | -73.9 | -157 | 150.2 | 0 | 0 | 115.1 | | |
| 68 | K | 45.3 | Very low | 47.1 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 70% | 0.7 | 80% | 0.803 | S | S | * | * | | | trans | 64.2 | 108 | 140.3 | -65.3 | 165.3 | -173.3 | 152.9 | 0 | 118.2 | | |
| 69 | S | 49.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 146 Ų | 146 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | | 151.9 | 126.4 | 100.7 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 70 | A | 47.5 | Very low | 47.4 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -119.6 | 144.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 71 | P | 63.3 | Low | 47.4 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -96.9 | 162.1 | 170.2 | 35.7 | -28.7 | 0 | 0 | 0 | 112.5 | | |
| 72 | P | 52.3 | Low | 47.4 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -116.6 | 166.5 | -147.7 | 39 | -27.2 | 0 | 0 | 0 | 115.1 | | |
| 73 | G | 46 | Very low | 47.6 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | 121.7 | 113.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 74 | R | 46.4 | Very low | 47.6 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | | | | -172.5 | 152.5 | 106.7 | -99.1 | 173.7 | 179.8 | -172.5 | 0.4 | 110.7 | | |
| 75 | H | 47.7 | Very low | 47.9 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | | | trans | -115.8 | 145.5 | -151.8 | 27.1 | -94.1 | 0 | 0 | 0 | 108.8 | | |
| 76 | E | 54.3 | Low | 47.5 | Very low | 200 Ų | 200 | 149 Ų | 149 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | | | trans | -161.9 | 136.7 | 136.7 | -111.1 | 165.6 | -156.9 | 0 | 0 | 110.8 | | |
| 77 | K | 50 | Low | 48 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -105.6 | 140.9 | -164 | -58.2 | 166.4 | 178 | 175 | 0 | 108.6 | | |
| 78 | V | 48.5 | Very low | 48.2 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 95% | 0.952 | 82% | 0.821 | S | S | * | * | | | trans | -146.2 | 126.7 | 135.8 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 79 | S | 43.6 | Very low | 48.4 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | -115.4 | 144.3 | -177.1 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 80 | R | 48.5 | Very low | 48.4 | Very low | 253 Ų | 253 | 154.4 Ų | 154.4 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | | | trans | -157 | 119.2 | 140.2 | -142.5 | 169.9 | -180 | 107.4 | -2.9 | 110.4 | | |
| 81 | A | 42.4 | Very low | 48.3 | Very low | 97 Ų | 97 | 155.2 Ų | 155.2 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -92.1 | 154.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 82 | A | 45.3 | Very low | 47.6 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 158.4 | 147 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 83 | K | 48.8 | Very low | 47.3 | Very low | 186 Ų | 186 | 157 Ų | 157 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | | | cis | -178.2 | 126 | -13.1 | -175.7 | 169.6 | -177.4 | -177.3 | 0 | 103.7 | | |
| 84 | V | 43.1 | Very low | 47.4 | Very low | 118 Ų | 118 | 160.9 Ų | 160.9 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | | | trans | 38.4 | 125.8 | 138 | -164.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 85 | T | 50.5 | Low | 47.4 | Very low | 141 Ų | 141 | 154 Ų | 154 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | | | | 176.1 | 139.7 | 109.5 | 32.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 86 | E | 39.7 | Very low | 47.7 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | | | trans | -109.9 | 141 | -176.3 | -178.7 | 164.1 | -170.3 | 0 | 0 | 108.4 | | |
| 87 | G | 48 | Very low | 47.3 | Very low | 61 Ų | 61 | 147.8 Ų | 147.8 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | | | trans | 146.3 | 108 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 88 | D | 51.8 | Low | 47.4 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | | | | -169 | 141.2 | 113.2 | -96.1 | -24.5 | 0 | 0 | 0 | 113.4 | | |
| 89 | R | 49.9 | Very low | 47.2 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -100.5 | 149.2 | -170.9 | -65.5 | 176.6 | 177.9 | 118.9 | -2.5 | 110.6 | | |
| 90 | R | 48.7 | Very low | 47.3 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | 70.4 | 122.5 | 137 | -82 | -172.1 | 167.5 | -145.4 | -2.8 | 121.7 | | |
| 91 | V | 45.3 | Very low | 47.1 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | | | | 75.2 | 115.1 | 123.1 | -178.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 92 | K | 49.2 | Very low | 47.5 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -171.3 | 103.7 | 130.7 | -133.8 | 140.4 | 179.3 | 175.2 | 0 | 110.7 | | |
| 93 | T | 45.4 | Very low | 47.4 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | | 36.9 | 120.7 | 106.9 | 66.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 94 | T | 49.1 | Very low | 47.3 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | | 170.4 | 132.8 | 119.6 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 95 | A | 46.3 | Very low | 47.3 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | | | trans | -108.7 | 162.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 96 | P | 53.3 | Low | 47.3 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | | -146.4 | 137.3 | 115.2 | 32.7 | -14.5 | 0 | 0 | 0 | 112.9 | | |
| 97 | A | 46.4 | Very low | 47.4 | Very low | 86 Ų | 86 | 155.1 Ų | 155.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | | 87.9 | 145.1 | 83.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 98 | T | 50.8 | Low | 47.2 | Very low | 151 Ų | 151 | 156.9 Ų | 156.9 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | | | trans | 87.8 | 127.6 | 174.1 | 74.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 99 | G | 44.9 | Very low | 46.9 | Very low | 65 Ų | 65 | 153 Ų | 153 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | cis | 167.8 | 160.1 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 100 | I | 45.9 | Very low | 46.7 | Very low | 170 Ų | 170 | 150 Ų | 150 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | 94.1 | 90.5 | 173.2 | -51.3 | 158.7 | 0 | 0 | 0 | 113.9 | | |
| 101 | R | 44.8 | Very low | 46.9 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | | 55.9 | 110.5 | 70.8 | -62.3 | -173.6 | 178.8 | -174.2 | 0.9 | 112.7 | | |
| 102 | Q | 50.8 | Low | 46.8 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | | -159.2 | 115.3 | 75.7 | -71.1 | 166.6 | -1.4 | 0 | 0 | 108.4 | | |
| 103 | R | 43.8 | Very low | 46.6 | Very low | 210 Ų | 210 | 139.6 Ų | 139.6 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | | 53.6 | 109.4 | 85.2 | -67.5 | -168.2 | -179.4 | -166.7 | -1.5 | 116.1 | | |
| 104 | F | 45.8 | Very low | 46.8 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | | -166.5 | 106.2 | 118.5 | -92 | -71 | 0 | 0 | 0 | 109.5 | | |
| 105 | D | 43.2 | Very low | 47 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -101 | 147.7 | 157.4 | -63.2 | -51.1 | 0 | 0 | 0 | 107.4 | | |
| 106 | L | 50.4 | Low | 46.7 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | | | trans | 168.2 | 95.6 | 157.4 | -88.6 | 146.3 | 0 | 0 | 0 | 105.8 | | |
| 107 | E | 42.5 | Very low | 46.7 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | | 75.1 | 137.1 | 78.4 | -154.4 | 146.1 | -151.4 | 0 | 0 | 114.2 | | |
| 108 | A | 42.6 | Very low | 46.9 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -66.9 | 155.1 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 109 | A | 45.3 | Very low | 46.6 | Very low | 93 Ų | 93 | 152.7 Ų | 152.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 167.3 | 112.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 110 | D | 46.6 | Very low | 46.4 | Very low | 164 Ų | 164 | 158.6 Ų | 158.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | 52.3 | 155.1 | 130.8 | -74.8 | -12.5 | 0 | 0 | 0 | 125.1 | | |
| 111 | P | 51.9 | Low | 46.5 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -110.8 | 158.1 | -144.8 | 39.8 | -30.6 | 0 | 0 | 0 | 114.4 | | |
| 112 | S | 43.3 | Very low | 46.4 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | 176.6 | 136.2 | 141.1 | 47 | 0 | 0 | 0 | 0 | 113.9 | | |
| 113 | A | 45.5 | Very low | 46.1 | Very low | 85 Ų | 85 | 154.4 Ų | 154.4 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | 65.5 | 105.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 114 | K | 49.9 | Very low | 45.9 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 164.5 | 120.6 | 98.3 | -89.1 | 170.9 | -174.3 | 172.3 | 0 | 112.7 | | |
| 115 | Q | 52.2 | Low | 45.6 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | 67.3 | 104.7 | 135.4 | -57.2 | -158.9 | -28.1 | 0 | 0 | 120.1 | | |
| 116 | R | 41.7 | Very low | 45.5 | Very low | 256 Ų | 256 | 146.8 Ų | 146.8 | 97% | 0.966 | 80% | 0.796 | S | S | * | * | | | trans | -155.6 | 92.2 | 130.6 | -104.4 | 165.8 | -177 | -167.7 | 0.3 | 110 | | |
| 117 | S | 52.5 | Low | 45.1 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -67.5 | 147.7 | 158.7 | 55.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 118 | Q | 50 | Low | 45.1 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | cis | -157.5 | 122.9 | 43.4 | -79.4 | -167.6 | -18.4 | 0 | 0 | 109.5 | | |
| 119 | T | 44.4 | Very low | 45.1 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 56% | 0.564 | 79% | 0.786 | S | S | * | * | | | | 77.2 | 89.3 | 113 | 68.4 | 0 | 0 | 0 | 0 | 117 | | |
| 120 | E | 42.1 | Very low | 44.8 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | | -67 | 135.9 | 125.8 | -63.8 | -178 | 159.6 | 0 | 0 | 107.6 | | |
| 121 | R | 46.7 | Very low | 44.7 | Very low | 186 Ų | 186 | 150 Ų | 150 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -176.3 | 123.9 | 161.5 | -110.5 | -175.4 | -88.9 | 169.2 | -3.4 | 113.6 | | |
| 122 | H | 42.8 | Very low | 44.2 | Very low | 150 Ų | 150 | 154 Ų | 154 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | | | trans | 84.5 | 106.8 | 153 | -44.6 | -54.1 | 0 | 0 | 0 | 117.1 | | |
| 123 | L | 45.7 | Very low | 44.3 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | | 51.4 | 114 | 71.8 | -71.1 | 167.2 | 0 | 0 | 0 | 114.3 | | |
| 124 | N | 39.7 | Very low | 44.3 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | 40.5 | 114 | 144 | -66.8 | -6.9 | 0 | 0 | 0 | 118.4 | | |
| 125 | G | 39.6 | Very low | 43.8 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -178 | 94.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 126 | N | 40.2 | Very low | 43.2 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -49.8 | 155.4 | 161.9 | -78.4 | -47.4 | 0 | 0 | 0 | 111.6 | | |
| 127 | K | 41.5 | Very low | 43.4 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | 112.3 | 116 | 139.7 | -156 | 117.9 | -179.1 | 174.8 | 0 | 115.5 | | |
| 128 | A | 42.7 | Very low | 42.5 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | | | trans | 64.9 | 136.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 129 | D | 43.9 | Very low | 42 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | | -157.9 | 147.8 | 60.8 | -73.9 | -52.1 | 0 | 0 | 0 | 112 | | |
| 130 | N | 38.6 | Very low | 42 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -86.9 | 122.8 | 166.3 | -84.3 | -56.6 | 0 | 0 | 0 | 109.3 | | |
| 131 | E | 44.6 | Very low | 41.8 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -138.2 | 102.1 | 153.7 | -73.6 | -171 | 150.2 | 0 | 0 | 106.5 | | |
| 132 | K | 41.5 | Very low | 41.6 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | | 37.5 | 114 | 91.2 | -79 | -176.9 | 178.2 | 178.6 | 0 | 112.6 | | |
| 133 | V | 45.5 | Very low | 41.8 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | | -174.5 | 104.7 | 119.2 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 134 | D | 44.8 | Very low | 41.8 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | 47.2 | 133.7 | 125.6 | -49.2 | -33.4 | 0 | 0 | 0 | 123.4 | | |
| 135 | S | 40.1 | Very low | 42 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 88.6 | 101.7 | 136.9 | -58.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 136 | S | 38.8 | Very low | 42.3 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -57 | 153.3 | 151.8 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 137 | P | 45.6 | Very low | 42.7 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | | -150.7 | 153.6 | 103.8 | 34.9 | -16.3 | 0 | 0 | 0 | 115.8 | | |
| 138 | F | 34 | Very low | 42.8 | Very low | 217 Ų | 217 | 143.7 Ų | 143.7 | 95% | 0.952 | 78% | 0.783 | S | S | * | * | | | trans | 31.1 | 131.2 | 138.2 | -92.4 | -100.6 | 0 | 0 | 0 | 122.1 | | |
| 139 | G | 39.4 | Very low | 43 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 129.1 | 133.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 140 | E | 44.1 | Very low | 43.1 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | cis | -175.7 | 160.2 | 11.9 | -163.4 | 169.5 | 165.5 | 0 | 0 | 107.3 | | |
| 141 | F | 38.8 | Very low | 43.4 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | | | trans | 74.3 | 122.9 | 168.6 | -51.9 | -75.9 | 0 | 0 | 0 | 118.6 | | |
| 142 | G | 41.3 | Very low | 43.4 | Very low | 62 Ų | 62 | 147.1 Ų | 147.1 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | cis | 173.6 | 155.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 143 | R | 47.3 | Very low | 43.5 | Very low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | 68.5 | 126.4 | 152 | -47.6 | 178.9 | -160.7 | -117 | 0.7 | 116.2 | | |
| 144 | S | 46.8 | Very low | 43.2 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 57% | 0.573 | 79% | 0.789 | S | S | * | * | | | cis | -177.9 | 139.7 | -1.9 | 22 | 0 | 0 | 0 | 0 | 108.8 | | |
| 145 | R | 43.7 | Very low | 43.4 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | 70.9 | 108.6 | 139.9 | -63.7 | 169.4 | -168 | 129.6 | -1.2 | 117.2 | | |
| 146 | A | 46.2 | Very low | 43.6 | Very low | 88 Ų | 88 | 152.8 Ų | 152.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | | 104.9 | 131.4 | 82.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 147 | R | 46.7 | Very low | 44 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | cis | -158.7 | 153.6 | 7.9 | -75.1 | 144.9 | -175.5 | -177.5 | 2.9 | 102.4 | | |
| 148 | G | 43.8 | Very low | 43.8 | Very low | 70 Ų | 70 | 153.9 Ų | 153.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | cis | 159.1 | 156.7 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 149 | R | 48.1 | Very low | 44.1 | Very low | 220 Ų | 220 | 154.3 Ų | 154.3 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | 99.1 | 101.5 | 166.8 | -64.5 | -172.1 | 153.4 | -163 | -2.1 | 119.4 | | |
| 150 | P | 45.1 | Very low | 44.2 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -104.7 | 151.5 | 152 | 36.1 | -25.1 | 0 | 0 | 0 | 112 | | |
| 151 | R | 46.2 | Very low | 44.4 | Very low | 215 Ų | 215 | 152.7 Ų | 152.7 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -150.7 | 103.5 | 158.7 | -73.7 | -170.2 | 168.9 | 125.7 | -4.5 | 106.1 | | |
| 152 | A | 43.1 | Very low | 44.6 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | | 69.8 | 101.2 | 58.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 153 | R | 43.8 | Very low | 44.4 | Very low | 258 Ų | 258 | 158.2 Ų | 158.2 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | | | trans | 163 | 120 | 148.8 | -93.6 | 178.9 | -175.7 | 179.4 | 1.8 | 105.9 | | |
| 154 | G | 40.7 | Very low | 43.9 | Very low | 73 Ų | 73 | 150.8 Ų | 150.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | cis | 153.5 | 157 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 155 | P | 47.4 | Very low | 43.5 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -119.6 | 159.6 | -140.9 | 38.3 | -26.4 | 0 | 0 | 0 | 116.1 | | |
| 156 | R | 45.5 | Very low | 43 | Very low | 246 Ų | 246 | 148.5 Ų | 148.5 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | | | trans | -156.9 | 100.1 | 154.9 | -65.5 | -168.5 | 178.4 | 150.3 | -1.2 | 107.7 | | |
| 157 | I | 46.1 | Very low | 42.4 | Very low | 136 Ų | 136 | 149 Ų | 149 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | | | | 72.8 | 123.9 | 71.6 | -61.2 | 173.5 | 0 | 0 | 0 | 113.9 | | |
| 158 | N | 42.9 | Very low | 42 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | 88.7 | 129.3 | 167.7 | -62.8 | -26.9 | 0 | 0 | 0 | 117.1 | | |
| 159 | R | 39.6 | Very low | 41.7 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | cis | -170.3 | 147.2 | 4.6 | -118.8 | 177.8 | -140.4 | 157 | 1.4 | 108.3 | | |
| 160 | G | 41.7 | Very low | 41.1 | Very low | 61 Ų | 61 | 145.4 Ų | 145.4 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | 106.6 | 79 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 161 | T | 48.5 | Very low | 40.6 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | | 62.4 | 132.8 | 98.3 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 162 | L | 42.2 | Very low | 40.1 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | cis | -176.4 | 138.3 | 3.1 | -111.3 | 155.4 | 0 | 0 | 0 | 103.9 | | |
| 163 | R | 37.5 | Very low | 40.2 | Very low | 223 Ų | 223 | 142.6 Ų | 142.6 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | | | trans | 56.1 | 121.7 | 151.3 | -66 | 172 | -176.9 | -172.6 | -0.7 | 118.1 | | |
| 164 | G | 37.3 | Very low | 40.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | cis | 72.9 | 76 | 34.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 165 | A | 36.6 | Very low | 40.1 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 171.5 | 122.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | L | 34.3 | Very low | 40 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | 35.5 | 137.4 | 145.2 | -97.5 | 67.5 | 0 | 0 | 0 | 121.7 | | |
| 167 | S | 33.8 | Very low | 39.9 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | 96.6 | 126 | 140 | -157 | 0 | 0 | 0 | 0 | 117.9 | | |
| 168 | T | 38.7 | Very low | 39.7 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | trans | 60.5 | 98.1 | 150.7 | 49.4 | 0 | 0 | 0 | 0 | 117.9 | D170 | T168-D170 PolarHBondContact O-N 3.38Å; T168-D170 VanDerWaalsContact O-N 3.1Å |
| 169 | H | 36 | Very low | 39.6 | Very low | 201 Ų | 201 | 135 Ų | 135 | 93% | 0.931 | 77% | 0.772 | S | S | * | * | | | trans | -78.6 | 77.4 | 158.6 | -75.3 | -69.1 | 0 | 0 | 0 | 109.5 | | |
| 170 | D | 35.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -140.9 | 132.2 | 162.1 | -88.1 | -42.2 | 0 | 0 | 0 | 108.1 | T168 | T168-D170 PolarHBondContact O-N 3.38Å; T168-D170 VanDerWaalsContact O-N 3.1Å |
| 171 | A | 35.6 | Very low | 39.4 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | 65.7 | 106.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 172 | A | 35.8 | Very low | 38.8 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | 165.3 | 79 | 131.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 173 | I | 44.5 | Very low | 39.1 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 92% | 0.918 | 78% | 0.778 | S | S | * | * | | | trans | -115.6 | 86.8 | 147.2 | -61.9 | 178.1 | 0 | 0 | 0 | 104.7 | | |
| 174 | T | 46.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -74.6 | 124.1 | 176.3 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 175 | D | 37.1 | Very low | 39.8 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | | 29.9 | 103.8 | 128 | -58.8 | -26.8 | 0 | 0 | 0 | 117.1 | | |
| 176 | S | 43.7 | Very low | 40.4 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -165.9 | 96.5 | 149.5 | -73.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 177 | N | 43.5 | Very low | 40.9 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 60.7 | 111.2 | 150.9 | -69.7 | -17.5 | 0 | 0 | 0 | 119.1 | | |
| 178 | D | 43.4 | Very low | 41.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | | | | 70.8 | 126.2 | 73.1 | -89.3 | -1 | 0 | 0 | 0 | 115 | | |
| 179 | K | 39.8 | Very low | 41.8 | Very low | 158 Ų | 158 | 139 Ų | 139 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | trans | 93.4 | 97.5 | 141.1 | -71.4 | 161.4 | -176.3 | 128.2 | 0 | 118.3 | | |
| 180 | Y | 37.1 | Very low | 42.5 | Very low | 231 Ų | 231 | 135.7 Ų | 135.7 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | 79.3 | 130.7 | 153.4 | -56.7 | -78.5 | 0 | 0 | 0 | 118.8 | | |
| 181 | G | 39.4 | Very low | 43.1 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | trans | 126.9 | 64.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S183 | G181-S183 PolarHBondContact O-N 3.37Š|
| 182 | D | 37.6 | Very low | 44 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | | 14.2 | 82.4 | 91.9 | -158.2 | 13.7 | 0 | 0 | 0 | 114 | | |
| 183 | S | 48.4 | Very low | 44.6 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | -156.3 | 89.4 | 155 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | G181 S185 | G181-S183 PolarHBondContact O-N 3.37Å; S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.72Å |
| 184 | L | 39.9 | Very low | 45 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -52.1 | 98.7 | 158.9 | -70 | 162.2 | 0 | 0 | 0 | 108.5 | | |
| 185 | S | 48.3 | Very low | 44.8 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | -87.4 | 122.8 | 166 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | S183 V187 | S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.72Å; S185-V187 PolarHBondContact O-N 3.08Å |
| 186 | P | 49.2 | Very low | 45.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | -70.8 | 110 | 175.3 | 27.9 | -29.5 | 0 | 0 | 0 | 107.5 | R188 | P186-R188 PolarHBondContact O-N 2.93Å; P186-R188 VanDerWaalsContact O-N 3.09Å |
| 187 | V | 45.3 | Very low | 45.3 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -56 | 116 | 169.5 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | S185 N189 | S185-V187 PolarHBondContact O-N 3.08Å; V187-N189 PolarHBondContact O-N 2.93Å |
| 188 | R | 43.9 | Very low | 45.6 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -60.9 | 127.8 | 176.9 | -69.7 | 174.3 | 175 | 159.1 | -2.4 | 108.9 | P186 D190 | P186-R188 PolarHBondContact O-N 2.93Å; P186-R188 VanDerWaalsContact O-N 3.09Å; R188-D190 PolarHBondContact O-N 2.86Å |
| 189 | N | 47.7 | Very low | 45.8 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 15.6 | -175.4 | -72.4 | -48.5 | 0 | 0 | 0 | 114.4 | V187 | V187-N189 PolarHBondContact O-N 2.93Š|
| 190 | D | 50.6 | Low | 45.9 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -10.8 | -166.3 | -64 | -41.4 | 0 | 0 | 0 | 115.1 | R188 | R188-D190 PolarHBondContact O-N 2.86Š|
| 191 | D | 48.8 | Very low | 46.1 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -100.3 | -5.4 | -177.4 | -66.6 | -36.7 | 0 | 0 | 0 | 114.6 | M193 | D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.04Å |
| 192 | V | 52.9 | Low | 46.4 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -8.5 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 193 | M | 49.9 | Very low | 46.5 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -3.8 | -176 | -68.8 | -61.7 | 176.3 | 0 | 0 | 115.5 | D191 | D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.04Å |
| 194 | N | 51.1 | Low | 46.2 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.1 | 5 | -172.8 | -105.4 | -9.8 | 0 | 0 | 0 | 116.7 | | |
| 195 | Y | 43.1 | Very low | 46.5 | Very low | 205 Ų | 205 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.4 | 15.9 | -178.5 | -82.4 | -80.4 | 0 | 0 | 0 | 115.8 | | |
| 196 | K | 47.2 | Very low | 46.4 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -112.4 | -0.3 | 179 | -79.8 | 177.9 | 178.1 | 169.1 | 0 | 116.1 | | |
| 197 | N | 44.9 | Very low | 46 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -117.8 | 17.3 | -170.2 | -80.3 | -7.8 | 0 | 0 | 0 | 116.4 | | |
| 198 | T | 48.4 | Very low | 46 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -129.6 | 7.1 | -171.6 | 49.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 199 | V | 47.6 | Very low | 46.2 | Very low | 128 Ų | 128 | 152 Ų | 152 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -124.7 | 17.5 | -176.5 | -173 | 0 | 0 | 0 | 0 | 114.7 | | |
| 200 | M | 43.4 | Very low | 46.2 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | | | trans | -120.3 | 32.1 | -178.9 | -67.9 | -63.7 | 177.9 | 0 | 0 | 114.8 | | |
| 201 | R | 40.8 | Very low | 45.7 | Very low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -121.8 | 46.1 | -176.4 | -146.1 | 179.7 | -152 | -104.6 | 3.8 | 114.5 | | |
| 202 | T | 44.6 | Very low | 45.6 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -153.4 | 110.4 | 165.4 | -34 | 0 | 0 | 0 | 0 | 113.1 | | |
| 203 | G | 40.6 | Very low | 45.2 | Very low | 70 Ų | 70 | 158.7 Ų | 158.7 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | 119.9 | 101.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 204 | P | 42.4 | Very low | 45.1 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | -92.4 | 123.3 | 165.9 | 33.6 | -24.7 | 0 | 0 | 0 | 110.1 | | |
| 205 | R | 46.4 | Very low | 45 | Very low | 232 Ų | 232 | 157.8 Ų | 157.8 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | -146.1 | 102.7 | 164 | -73.2 | -167.9 | 175.1 | 146.2 | -1.1 | 111.6 | | |
| 206 | N | 44.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | | 46.9 | 99 | 123.8 | -48.4 | -20.5 | 0 | 0 | 0 | 114.3 | | |
| 207 | G | 41 | Very low | 45.6 | Very low | 73 Ų | 73 | 149.6 Ų | 149.6 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | | 72 | 95.3 | 75.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 208 | R | 45.8 | Very low | 46 | Very low | 217 Ų | 217 | 147.4 Ų | 147.4 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | | | trans | -162.3 | 116.3 | 152.8 | -101.2 | 178.5 | -163.4 | -165.3 | 3.4 | 110.6 | | |
| 209 | Q | 49.1 | Very low | 46.4 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | 77.5 | 92.9 | 134.2 | -60.2 | 160.7 | 2.9 | 0 | 0 | 115.5 | | |
| 210 | R | 46.4 | Very low | 47.1 | Very low | 242 Ų | 242 | 151.3 Ų | 151.3 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | | | | 79.7 | 112.8 | 98.4 | -96.4 | -175.4 | 173.8 | 160.8 | -1.5 | 112 | G212 | R210-G212 PolarHBondContact O-N 3.49Š|
| 211 | G | 39.6 | Very low | 48.1 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -49.8 | 134.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 212 | G | 46.9 | Very low | 49.5 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -154 | 100.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | R210 G214 | R210-G212 PolarHBondContact O-N 3.49Å; G212-G214 PolarHBondContact O-N 3.34Å |
| 213 | R | 46 | Very low | 50.8 | Low | 253 Ų | 253 | 143.1 Ų | 143.1 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | | | trans | -51.8 | 132.3 | 170.3 | -73 | 178.8 | 177.2 | 156.7 | -1.8 | 110.3 | | |
| 214 | G | 46.4 | Very low | 52.1 | Low | 56 Ų | 56 | 145.3 Ų | 145.3 | 58% | 0.577 | 76% | 0.756 | S | S | * | * | | | trans | 72.1 | 107.3 | 145 | 0 | 0 | 0 | 0 | 0 | 116.5 | G212 | G212-G214 PolarHBondContact O-N 3.34Š|
| 215 | R | 48.8 | Very low | 53.6 | Low | 223 Ų | 223 | 146.3 Ų | 146.3 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | -166.9 | 111.8 | 132.7 | -83.8 | -33.7 | -168.6 | -98 | 0.7 | 110.8 | | |
| 216 | I | 49.7 | Very low | 55.2 | Low | 162 Ų | 162 | 146.9 Ų | 146.9 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | 75.7 | 94.9 | 130.1 | -52 | 161.5 | 0 | 0 | 0 | 117.3 | | |
| 217 | G | 55 | Low | 56.6 | Low | 55 Ų | 55 | 146 Ų | 146 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | | | trans | -168.4 | 125.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V219 | G217-V219 PolarHBondContact O-N 3.09Š|
| 218 | P | 52 | Low | 57.9 | Low | 108 Ų | 108 | 146.7 Ų | 146.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | -75 | 95.5 | -165.1 | 30.4 | -33.7 | 0 | 0 | 0 | 111.1 | R220 | P218-R220 HydrophobicContact CB-CB 4.4Å; P218-R220 HydrophobicContact CB-CG 4.28Å; P218-R220 PolarHBondContact O-N 3.15Å |
| 219 | V | 57.9 | Low | 58.9 | Low | 137 Ų | 137 | 139.9 Ų | 139.9 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | | | trans | -72.8 | 66.6 | 161.2 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | G217 | G217-V219 PolarHBondContact O-N 3.09Š|
| 220 | R | 61.3 | Low | 59.9 | Low | 187 Ų | 187 | 138.6 Ų | 138.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -117.8 | 12.8 | -176.5 | -73.8 | -169.4 | 176.5 | 120.6 | -2.5 | 114.2 | P218 | P218-R220 HydrophobicContact CB-CB 4.4Å; P218-R220 HydrophobicContact CB-CG 4.28Å; P218-R220 PolarHBondContact O-N 3.15Å |
| 221 | G | 63.9 | Low | 60.6 | Low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -105.8 | -19.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 222 | R | 71.8 | Confident | 61.7 | Low | 230 Ų | 230 | 139.1 Ų | 139.1 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -112.1 | -10.1 | -172.7 | -65.3 | 179.4 | -177.8 | -103.4 | -0.8 | 114.9 | F224 | R222-F224 VanDerWaalsContact C-N 3.3Š|
| 223 | Q | 70.6 | Confident | 62.3 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 53% | 0.533 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -79.8 | -15.2 | 178.5 | 65.1 | -170.8 | -16 | 0 | 0 | 113 | | |
| 224 | F | 68.8 | Low | 62.9 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 51% | 0.509 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -105.1 | -8.2 | 179.8 | -53.2 | -67 | 0 | 0 | 0 | 113.2 | R222 R226 Q227 | R222-F224 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 3.41Å; F224-Q227 CarbonylContact O-C 3.6Å; F224-Q227 PolarHBondContact O-N 2.87Å |
| 225 | D | 73.4 | Confident | 63.5 | Low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -22.3 | -174.5 | -164.9 | 37.2 | 0 | 0 | 0 | 113.3 | | |
| 226 | R | 79.9 | Confident | 64.2 | Low | 244 Ų | 244 | 139.8 Ų | 139.8 | 92% | 0.921 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -6 | 170.3 | -64.7 | -170.7 | 178.5 | -160.5 | -2.2 | 113.7 | F224 | F224-R226 PolarHBondContact O-N 3.41Š|
| 227 | Q | 74.2 | Confident | 65.1 | Low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -103.3 | 109.6 | 176.6 | -63 | -150.4 | -43.7 | 0 | 0 | 107.4 | F224 G229 | F224-Q227 CarbonylContact O-C 3.6Å; F224-Q227 PolarHBondContact O-N 2.87Å; Q227-G229 PolarHBondContact O-N 2.83Å |
| 228 | S | 69.3 | Low | 65.5 | Low | 88 Ų | 88 | 139.9 Ų | 139.9 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | | | trans | -45.6 | 107.1 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | M230 | S228-M230 PolarHBondContact O-N 2.97Š|
| 229 | G | 66.6 | Low | 66.1 | Low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | | | trans | -73.7 | 11.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q227 E231 | Q227-G229 PolarHBondContact O-N 2.83Å; G229-E231 PolarHBondContact O-N 2.73Å |
| 230 | M | 68.9 | Low | 66.3 | Low | 124 Ų | 124 | 143.4 Ų | 143.4 | 61% | 0.611 | 71% | 0.705 | S | S | * | * | | | trans | -80.4 | 101.2 | 175 | -81.4 | 155.6 | 151.2 | 0 | 0 | 109 | S228 K232 S233 | S228-M230 PolarHBondContact O-N 2.97Å; M230-K232 PolarHBondContact O-N 2.78Å; M230-S233 WeakPolarHBondContact O-CB 3.38Å; M230-S233 PolarHBondContact O-N 3.23Å; M230-S233 PolarHBondContact O-OG 2.93Å |
| 231 | E | 61.7 | Low | 66.3 | Low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -53.8 | -12.4 | 165.2 | -68.9 | 179.6 | 158 | 0 | 0 | 113.1 | G229 S233 | G229-E231 PolarHBondContact O-N 2.73Å; E231-S233 VanDerWaalsContact C-N 3.35Å |
| 232 | K | 62.1 | Low | 66 | Low | 174 Ų | 174 | 150 Ų | 150 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -76.2 | -14.1 | 171.9 | -60.1 | 100 | -179.1 | -175.7 | 0 | 114.3 | M230 R234 | M230-K232 PolarHBondContact O-N 2.78Å; K232-R234 VanDerWaalsContact C-N 3.26Å; K232-R234 PolarHBondContact O-N 2.85Å |
| 233 | S | 59.4 | Low | 65.5 | Low | 73 Ų | 73 | 140.9 Ų | 140.9 | 51% | 0.51 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -79.5 | -1.3 | 177.9 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | M230 E231 V235 | M230-S233 WeakPolarHBondContact O-CB 3.38Å; M230-S233 PolarHBondContact O-N 3.23Å; M230-S233 PolarHBondContact O-OG 2.93Å; E231-S233 VanDerWaalsContact C-N 3.35Å; S233-V235 PolarHBondContact O-N 2.77Å |
| 234 | R | 59.1 | Low | 64.9 | Low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -69.8 | -16.7 | 172 | -69.5 | -176 | 179.3 | -130 | 2.2 | 112.9 | K232 | K232-R234 VanDerWaalsContact C-N 3.26Å; K232-R234 PolarHBondContact O-N 2.85Å |
| 235 | V | 59.9 | Low | 64.5 | Low | 98 Ų | 98 | 135.7 Ų | 135.7 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83.6 | 117.1 | 163.7 | -173.2 | 0 | 0 | 0 | 0 | 105.6 | S233 T238 | S233-V235 PolarHBondContact O-N 2.77Å; V235-T238 HydrophobicContact CG1-CG2 3.87Å |
| 236 | R | 62.9 | Low | 64.1 | Low | 221 Ų | 221 | 136 Ų | 136 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | | | trans | -44.2 | 136.4 | 170.3 | -75.8 | -163.7 | 170.5 | 172.7 | -1 | 107.8 | T238 | R236-T238 VanDerWaalsContact C-N 3.34Å; R236-T238 PolarHBondContact O-N 2.88Å |
| 237 | P | 69.2 | Low | 63.4 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | | | trans | -46.4 | 105.6 | 175.7 | -23.9 | 31.7 | 0 | 0 | 0 | 107.5 | D239 | P237-D239 PolarHBondContact O-N 2.94Å; P237-D239 VanDerWaalsContact O-N 3.15Å |
| 238 | T | 62.1 | Low | 63.2 | Low | 89 Ų | 89 | 131.7 Ų | 131.7 | 55% | 0.546 | 68% | 0.684 | S | S | . | * | | | trans | -71.6 | 119.3 | -175.5 | 47.8 | 0 | 0 | 0 | 0 | 105.3 | V235 R236 K240 | V235-T238 HydrophobicContact CG1-CG2 3.87Å; R236-T238 VanDerWaalsContact C-N 3.34Å; R236-T238 PolarHBondContact O-N 2.88Å; T238-K240 PolarHBondContact O-N 3Å |
| 239 | D | 65.7 | Low | 63.1 | Low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | | | trans | -65.6 | 74.3 | 178.4 | -153.3 | 8.6 | 0 | 0 | 0 | 109.3 | P237 | P237-D239 PolarHBondContact O-N 2.94Å; P237-D239 VanDerWaalsContact O-N 3.15Å |
| 240 | K | 62.2 | Low | 63.4 | Low | 176 Ų | 176 | 136.8 Ų | 136.8 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | | | trans | -129.7 | 52.8 | -174.3 | -67.3 | -169.1 | -180 | -171.6 | 0 | 110.6 | T238 | T238-K240 PolarHBondContact O-N 3Š|
| 241 | R | 59.7 | Low | 63.4 | Low | 225 Ų | 225 | 132.3 Ų | 132.3 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 164.8 | 130.7 | 151.9 | -105.9 | 172.6 | 166.1 | 137.2 | -3.8 | 107.1 | G243 | R241-G243 VanDerWaalsContact O-CA 3.27Å; R241-G243 WeakPolarHBondContact O-CA 3.43Å; R241-G243 PolarHBondContact O-N 3.03Å |
| 242 | D | 59.2 | Low | 63.7 | Low | 166 Ų | 166 | 128.8 Ų | 128.8 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -45.1 | 73 | 179.6 | -53.5 | -70.2 | 0 | 0 | 0 | 113.6 | N248 | D242-N248 PolarHBondContact O-ND2 2.92Š|
| 243 | G | 61.6 | Low | 64 | Low | 38 Ų | 38 | 123.5 Ų | 123.5 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | | | trans | -142.5 | -23 | -152.8 | 0 | 0 | 0 | 0 | 0 | 115 | R241 N248 | R241-G243 VanDerWaalsContact O-CA 3.27Å; R241-G243 WeakPolarHBondContact O-CA 3.43Å; R241-G243 PolarHBondContact O-N 3.03Å; G243-N248 WeakPolarHBondContact CA-ND2 3.46Å; G243-N248 PolarHBondContact O-ND2 3.04Å |
| 244 | A | 56.5 | Low | 64.5 | Low | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | | | trans | -133.3 | 56 | -169 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 245 | G | 61.2 | Low | 64.9 | Low | 35 Ų | 35 | 120.2 Ų | 120.2 | 36% | 0.361 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -112 | 158.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y247 N248 | G245-Y247 PolarHBondContact O-N 3.34Å; G245-N248 PolarHBondContact O-N 3.41Å |
| 246 | Q | 65.5 | Low | 65.1 | Low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -21.9 | 170.1 | 174.3 | 163.7 | 6.4 | 0 | 0 | 112.7 | T251 | Q246-T251 HydrophobicContact CG-CG2 3.32Š|
| 247 | Y | 63.6 | Low | 65.1 | Low | 196 Ų | 196 | 114.5 Ų | 114.5 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -11.7 | 174.2 | -62.3 | -78.1 | 0 | 0 | 0 | 115 | G245 | G245-Y247 PolarHBondContact O-N 3.34Š|
| 248 | N | 69.9 | Low | 64.7 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -94.5 | -10.9 | 178.6 | -95.8 | 10.9 | 0 | 0 | 0 | 114.4 | D242 G243 G245 | D242-N248 PolarHBondContact O-ND2 2.92Å; G243-N248 WeakPolarHBondContact CA-ND2 3.46Å; G243-N248 PolarHBondContact O-ND2 3.04Å; G245-N248 PolarHBondContact O-N 3.41Å |
| 249 | W | 68.3 | Low | 64.6 | Low | 226 Ų | 226 | 114.9 Ų | 114.9 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -117.5 | 13.8 | -179.3 | -69.8 | 85.8 | 0 | 0 | 0 | 112.5 | | |
| 250 | G | 72.4 | Confident | 64.3 | Low | 43 Ų | 43 | 113.4 Ų | 113.4 | 44% | 0.443 | 62% | 0.616 | S | S | . | * | | | trans | 65.9 | 132.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 251 | T | 69.3 | Low | 64 | Low | 29 Ų | 29 | 111.9 Ų | 111.9 | 18% | 0.178 | 61% | 0.611 | C | S | . | * | | | trans | -79.6 | 155.2 | 160.9 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | Q246 A253 D254 | Q246-T251 HydrophobicContact CG-CG2 3.32Å; T251-A253 PolarHBondContact O-N 3.21Å; T251-D254 PolarHBondContact N-OD2 3.29Å; T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.15Å; T251-D254 PolarHBondContact OG1-N 3.47Å; T251-D254 PolarHBondContact OG1-OD2 2.76Å |
| 252 | A | 67.9 | Low | 63.5 | Low | 92 Ų | 92 | 109.4 Ų | 109.4 | 76% | 0.76 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -12.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 253 | A | 67.8 | Low | 62.8 | Low | 63 Ų | 63 | 109 Ų | 109 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -27 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | T251 E255 L256 V257 | T251-A253 PolarHBondContact O-N 3.21Å; A253-E255 VanDerWaalsContact C-N 3.3Å; A253-E255 PolarHBondContact O-N 3.29Å; A253-L256 PolarHBondContact O-N 3.37Å; A253-V257 PolarHBondContact O-N 3.3Å |
| 254 | D | 70.4 | Confident | 61.6 | Low | 75 Ų | 75 | 113.6 Ų | 113.6 | 40% | 0.401 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.5 | -24.6 | 174.8 | -75.4 | -41.6 | 0 | 0 | 0 | 112.3 | T251 L256 V257 G258 | T251-D254 PolarHBondContact N-OD2 3.29Å; T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.15Å; T251-D254 PolarHBondContact OG1-N 3.47Å; T251-D254 PolarHBondContact OG1-OD2 2.76Å; D254-L256 PolarHBondContact O-N 3.43Å; D254-V257 PolarHBondContact O-N 3.4Å; D254-G258 VanDerWaalsContact O-CA 3.32Å; D254-G258 WeakPolarHBondContact O-CA 3.47Å; D254-G258 PolarHBondContact O-N 3.49Å |
| 255 | E | 67.2 | Low | 60.8 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 73% | 0.729 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.6 | -27.1 | 174.2 | -71.2 | -175.5 | 169.2 | 0 | 0 | 112.1 | A253 | A253-E255 VanDerWaalsContact C-N 3.3Å; A253-E255 PolarHBondContact O-N 3.29Å |
| 256 | L | 64.1 | Low | 60 | Low | 137 Ų | 137 | 121.6 Ų | 121.6 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -86.6 | -29.3 | 178.2 | -168 | 71.4 | 0 | 0 | 0 | 112.7 | A253 D254 | A253-L256 PolarHBondContact O-N 3.37Å; D254-L256 PolarHBondContact O-N 3.43Å |
| 257 | V | 62.4 | Low | 58.9 | Low | 63 Ų | 63 | 123.2 Ų | 123.2 | 38% | 0.382 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -90.1 | -32.9 | 179.5 | 178 | 0 | 0 | 0 | 0 | 111.3 | A253 D254 E259 T260 E261 | A253-V257 PolarHBondContact O-N 3.3Å; D254-V257 PolarHBondContact O-N 3.4Å; V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.84Å; V257-T260 PolarHBondContact O-N 3.2Å; V257-T260 PolarHBondContact O-OG1 3.34Å; V257-E261 HydrophobicContact CG1-CG 4.26Å; V257-E261 PolarHBondContact O-N 3Å |
| 258 | G | 61.3 | Low | 57.8 | Low | 52 Ų | 52 | 120.1 Ų | 120.1 | 54% | 0.536 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -19.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D254 T260 | D254-G258 VanDerWaalsContact O-CA 3.32Å; D254-G258 WeakPolarHBondContact O-CA 3.47Å; D254-G258 PolarHBondContact O-N 3.49Å; G258-T260 VanDerWaalsContact C-N 3.33Å |
| 259 | E | 59.9 | Low | 56.4 | Low | 173 Ų | 173 | 122 Ų | 122 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -16.2 | 169.1 | -76.9 | -172.9 | 163.6 | 0 | 0 | 113 | V257 | V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.84Å |
| 260 | T | 59.6 | Low | 55.3 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -8.8 | -179.4 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | V257 G258 | V257-T260 PolarHBondContact O-N 3.2Å; V257-T260 PolarHBondContact O-OG1 3.34Å; G258-T260 VanDerWaalsContact C-N 3.33Å |
| 261 | E | 56.1 | Low | 54 | Low | 143 Ų | 143 | 122 Ų | 122 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | | | trans | -113.3 | 68.6 | 179.2 | -65 | -172.8 | 176.2 | 0 | 0 | 110.5 | V257 L263 | V257-E261 HydrophobicContact CG1-CG 4.26Å; V257-E261 PolarHBondContact O-N 3Å; E261-L263 PolarHBondContact O-N 2.89Å |
| 262 | E | 50.4 | Low | 52.8 | Low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | trans | -62.8 | 102 | 156.6 | -94.2 | -173.9 | 152.6 | 0 | 0 | 108.7 | | |
| 263 | L | 43.5 | Very low | 51.6 | Low | 157 Ų | 157 | 131.3 Ų | 131.3 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | trans | 50.9 | 73.6 | 142.9 | -64.8 | 158.7 | 0 | 0 | 0 | 116.2 | E261 | E261-L263 PolarHBondContact O-N 2.89Š|
| 264 | T | 36.8 | Very low | 50.6 | Low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | -129.8 | 65.5 | 159.6 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 265 | T | 39.1 | Very low | 49.4 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -121.1 | 56.7 | 166.9 | 38.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 266 | D | 44.9 | Very low | 48.3 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | -132.3 | 83.2 | 160.4 | -81.2 | -31.5 | 0 | 0 | 0 | 107.2 | | |
| 267 | Q | 42.1 | Very low | 47.4 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -175.8 | 107 | 140.2 | -102.4 | 179.3 | 10.5 | 0 | 0 | 111.7 | | |
| 268 | T | 40.3 | Very low | 46.6 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -29.1 | 125.1 | 152.8 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 269 | V | 40.8 | Very low | 45.7 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | -127.4 | 74.6 | 158.3 | -168.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 270 | D | 45.9 | Very low | 44.7 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 93.4 | 160.7 | -90.8 | -31.5 | 0 | 0 | 0 | 108.2 | | |
| 271 | T | 43.7 | Very low | 43.8 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | | | trans | -20.4 | 138.1 | 150.2 | -49.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 272 | D | 44.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 96.1 | 97.6 | 156.8 | -56.7 | -24.1 | 0 | 0 | 0 | 121.2 | | |
| 273 | E | 43.4 | Very low | 42.2 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | | 52 | 104.1 | 125.3 | -61.8 | -175.6 | 164.5 | 0 | 0 | 119.9 | | |
| 274 | A | 45.3 | Very low | 42 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | | 165.7 | 143.5 | 104.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 275 | P | 46.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -96.9 | 157.3 | -162.4 | 38.2 | -32.7 | 0 | 0 | 0 | 112.1 | | |
| 276 | N | 42.8 | Very low | 42.1 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -172.3 | 122.7 | 139.4 | -95.9 | -42.8 | 0 | 0 | 0 | 113.3 | | |
| 277 | K | 45 | Very low | 41.8 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | | 81.8 | 110.6 | 130 | -76.4 | -175.3 | 172.1 | 178.4 | 0 | 121 | | |
| 278 | D | 45.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | | 80.4 | 100.7 | 122.9 | -51.4 | -17.4 | 0 | 0 | 0 | 116.5 | | |
| 279 | S | 42.1 | Very low | 41.5 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | | 171.2 | 131.8 | 94.4 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 280 | N | 40.1 | Very low | 41.4 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 65.1 | 103 | 139.5 | -86.6 | -29.9 | 0 | 0 | 0 | 119.7 | | |
| 281 | L | 39.6 | Very low | 40.8 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | | 166.2 | 115.4 | 86.1 | -94.9 | 146.7 | 0 | 0 | 0 | 112.1 | | |
| 282 | N | 36.1 | Very low | 40.5 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | 49.4 | 99.4 | 141.9 | -69.3 | -13.5 | 0 | 0 | 0 | 120.5 | | |
| 283 | L | 37.4 | Very low | 40.1 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | | | trans | -139.7 | 95.7 | 142.2 | -153.2 | 78.1 | 0 | 0 | 0 | 109.2 | | |
| 284 | T | 38.7 | Very low | 40.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -89.8 | 113.6 | 162.6 | 47.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 285 | E | 38.8 | Very low | 40 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | | 101.8 | 149.6 | 77.8 | -169.7 | 168.4 | -147.4 | 0 | 0 | 109.2 | | |
| 286 | S | 39.9 | Very low | 39.9 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | 85.6 | 93.6 | -176.1 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 287 | E | 37.8 | Very low | 39.8 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | | 64 | 130.6 | 77.6 | -63.8 | 179.7 | 162.5 | 0 | 0 | 109.4 | | |
| 288 | E | 38 | Very low | 40.2 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | cis | 179.4 | 170.1 | 41 | -151.9 | 174.8 | 170.6 | 0 | 0 | 106.2 | | |
| 289 | T | 39 | Very low | 40.8 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | trans | 102.9 | 103 | 157.8 | 73.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 290 | T | 38.8 | Very low | 41.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | 86.2 | 93.4 | 130.5 | 60.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 291 | D | 34.3 | Very low | 42.7 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | | 33.8 | 119.8 | 117.7 | -60.1 | -35.9 | 0 | 0 | 0 | 119.6 | | |
| 292 | G | 35.8 | Very low | 44.2 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | 138.3 | 90.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 293 | A | 37.5 | Very low | 45.7 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | | | trans | -58.4 | 138.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 294 | P | 44.5 | Very low | 47.2 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | | -143.2 | 153.9 | 107.6 | 35.1 | -19.2 | 0 | 0 | 0 | 114.3 | E296 | P294-E296 PolarHBondContact O-N 3.15Š|
| 295 | K | 40.9 | Very low | 48.7 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | | | trans | -60.9 | 110.9 | 171 | -60.7 | 162.1 | 180 | 172.8 | 0 | 110 | | |
| 296 | E | 44.7 | Very low | 50 | Low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | trans | -175 | 102.8 | 170.5 | -106.6 | 172.7 | -145.2 | 0 | 0 | 105.4 | P294 | P294-E296 PolarHBondContact O-N 3.15Š|
| 297 | R | 40.6 | Very low | 51.3 | Low | 212 Ų | 212 | 138 Ų | 138 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | | | | -170 | 124.3 | 70.7 | -79 | 151.5 | -175 | -130.3 | -2.5 | 107 | E299 | R297-E299 VanDerWaalsContact C-N 3.32Å; R297-E299 PolarHBondContact O-N 2.78Å |
| 298 | V | 53.1 | Low | 52.7 | Low | 140 Ų | 140 | 133.8 Ų | 133.8 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | | | trans | -66.9 | 100.6 | 159.5 | 177.5 | 0 | 0 | 0 | 0 | 104.9 | E300 | V298-E300 PolarHBondContact O-N 3Š|
| 299 | E | 59.1 | Low | 54.1 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | | | trans | -64.9 | 101.1 | 173.5 | -72.4 | 179.7 | 167.1 | 0 | 0 | 108 | R297 L301 | R297-E299 VanDerWaalsContact C-N 3.32Å; R297-E299 PolarHBondContact O-N 2.78Å; E299-L301 PolarHBondContact O-N 3.02Å |
| 300 | E | 59.8 | Low | 55.3 | Low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | | | trans | -62 | 84 | 167.6 | -65.1 | 177.3 | 178.2 | 0 | 0 | 109 | V298 T302 | V298-E300 PolarHBondContact O-N 3Å; E300-T302 PolarHBondContact O-N 2.81Å; E300-T302 VanDerWaalsContact O-N 3.15Å |
| 301 | L | 63.3 | Low | 56.4 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 44% | 0.435 | 69% | 0.69 | S | S | . | * | | | trans | -69.1 | 111 | 167.1 | -68.4 | 172.2 | 0 | 0 | 0 | 107.7 | E299 E305 | E299-L301 PolarHBondContact O-N 3.02Å; L301-E305 HydrophobicContact CD2-CB 4.42Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.39Å |
| 302 | T | 70 | Confident | 57.7 | Low | 86 Ų | 86 | 128.1 Ų | 128.1 | 53% | 0.528 | 69% | 0.685 | S | S | . | * | | | trans | -63.8 | 151.1 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | E300 D304 E305 W306 | E300-T302 PolarHBondContact O-N 2.81Å; E300-T302 VanDerWaalsContact O-N 3.15Å; T302-D304 PolarHBondContact O-N 3.03Å; T302-E305 PolarHBondContact O-N 3.19Å; T302-W306 PolarHBondContact O-N 3.19Å |
| 303 | L | 67.3 | Low | 59.1 | Low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -51.7 | -24.6 | -173.7 | -73.8 | 171.7 | 0 | 0 | 0 | 114.4 | K307 | L303-K307 WeakPolarHBondContact O-CG 3.05Å; L303-K307 PolarHBondContact O-N 3.49Å; L303-K307 VanDerWaalsContact O-N 3.15Å |
| 304 | D | 68.2 | Low | 60.5 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76.3 | -29.5 | 179.7 | -67 | -21.3 | 0 | 0 | 0 | 112.4 | T302 A308 | T302-D304 PolarHBondContact O-N 3.03Å; D304-A308 WeakPolarHBondContact O-CB 3.36Å; D304-A308 PolarHBondContact O-N 3.46Å; D304-A308 VanDerWaalsContact O-N 3.09Å |
| 305 | E | 71.2 | Confident | 61.6 | Low | 95 Ų | 95 | 140 Ų | 140 | 44% | 0.444 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -78.9 | -32.1 | 174.8 | -64.4 | 178.3 | 158.2 | 0 | 0 | 111.9 | L301 T302 A308 K309 | L301-E305 HydrophobicContact CD2-CB 4.42Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.39Å; T302-E305 PolarHBondContact O-N 3.19Å; E305-A308 PolarHBondContact O-N 3.05Å; E305-K309 PolarHBondContact O-N 3.46Å; E305-K309 VanDerWaalsContact O-N 3.08Å |
| 306 | W | 65.2 | Low | 63.2 | Low | 157 Ų | 157 | 134.5 Ų | 134.5 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.6 | -38.7 | 172.6 | -165.1 | 87.8 | 0 | 0 | 0 | 111.5 | T302 A308 K309 Q310 | T302-W306 PolarHBondContact O-N 3.19Å; W306-A308 VanDerWaalsContact C-N 3.33Å; W306-A308 PolarHBondContact O-N 3.22Å; W306-K309 PolarHBondContact O-N 3.23Å; W306-Q310 HydrophobicContact CD2-CG 4.39Å; W306-Q310 HydrophobicContact CE3-CG 4.02Å; W306-Q310 HydrophobicContact CH2-CG 4.14Å; W306-Q310 HydrophobicContact CZ2-CG 4.47Å; W306-Q310 HydrophobicContact CZ3-CG 3.9Å; W306-Q310 WeakPolarHBondContact O-CG 3.4Å; W306-Q310 PolarHBondContact O-N 3.16Å; W306-Q310 VanDerWaalsContact O-N 3.1Å |
| 307 | K | 69 | Low | 64.5 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.5 | -30.3 | 172.3 | -75.4 | 175.6 | -177 | 170.3 | 0 | 113.1 | L303 | L303-K307 WeakPolarHBondContact O-CG 3.05Å; L303-K307 PolarHBondContact O-N 3.49Å; L303-K307 VanDerWaalsContact O-N 3.15Å |
| 308 | A | 66.7 | Low | 66 | Low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.3 | -28.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D304 E305 W306 | D304-A308 WeakPolarHBondContact O-CB 3.36Å; D304-A308 PolarHBondContact O-N 3.46Å; D304-A308 VanDerWaalsContact O-N 3.09Å; E305-A308 PolarHBondContact O-N 3.05Å; W306-A308 VanDerWaalsContact C-N 3.33Å; W306-A308 PolarHBondContact O-N 3.22Å |
| 309 | K | 66.9 | Low | 66.8 | Low | 149 Ų | 149 | 133.9 Ų | 133.9 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80 | -23.6 | 173.8 | -76.1 | 179.9 | 179 | 174.3 | 0 | 113.5 | E305 W306 A311 | E305-K309 PolarHBondContact O-N 3.46Å; E305-K309 VanDerWaalsContact O-N 3.08Å; W306-K309 PolarHBondContact O-N 3.23Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.27Å |
| 310 | Q | 63.8 | Low | 67.6 | Low | 105 Ų | 105 | 131.8 Ų | 131.8 | 49% | 0.491 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -75.6 | 88.8 | 167.9 | -66.1 | -60.8 | -27.7 | 0 | 0 | 109.2 | W306 | W306-Q310 HydrophobicContact CD2-CG 4.39Å; W306-Q310 HydrophobicContact CE3-CG 4.02Å; W306-Q310 HydrophobicContact CH2-CG 4.14Å; W306-Q310 HydrophobicContact CZ2-CG 4.47Å; W306-Q310 HydrophobicContact CZ3-CG 3.9Å; W306-Q310 WeakPolarHBondContact O-CG 3.4Å; W306-Q310 PolarHBondContact O-N 3.16Å; W306-Q310 VanDerWaalsContact O-N 3.1Å |
| 311 | A | 61.9 | Low | 68.2 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 67% | 0.666 | S | S | * | * | | | trans | -48.2 | 136.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K309 R313 | K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.27Å; A311-R313 PolarHBondContact O-N 3.27Å |
| 312 | P | 63 | Low | 68.8 | Low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | | | trans | -57.9 | 111.7 | -177.4 | 24.3 | -32.9 | 0 | 0 | 0 | 107.8 | T314 | P312-T314 PolarHBondContact O-N 2.83Š|
| 313 | R | 64.5 | Low | 68.7 | Low | 234 Ų | 234 | 137.7 Ų | 137.7 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | | | trans | -45 | 111.6 | -176.8 | -66.5 | 173.9 | 79 | 149.2 | 2.6 | 107.6 | A311 K315 | A311-R313 PolarHBondContact O-N 3.27Å; R313-K315 PolarHBondContact O-N 3.33Å; R313-K315 VanDerWaalsContact O-N 3.14Å |
| 314 | T | 65.8 | Low | 68.6 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | | | trans | -58.1 | 122.8 | 177.1 | 46 | 0 | 0 | 0 | 0 | 106.2 | P312 | P312-T314 PolarHBondContact O-N 2.83Š|
| 315 | K | 68.9 | Low | 68.4 | Low | 182 Ų | 182 | 134.7 Ų | 134.7 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | trans | -52.1 | 134.5 | 179.6 | -65.4 | 169.6 | -176 | 171.7 | 0 | 107.2 | R313 Q317 | R313-K315 PolarHBondContact O-N 3.33Å; R313-K315 VanDerWaalsContact O-N 3.14Å; K315-Q317 PolarHBondContact O-N 3.3Å |
| 316 | P | 74.1 | Confident | 67.9 | Low | 94 Ų | 94 | 131.7 Ų | 131.7 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | | | trans | -53.1 | 113 | -177.8 | 20.5 | -31.8 | 0 | 0 | 0 | 109.2 | F318 | P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 HydrophobicContact CB-CD2 4.41Å; P316-F318 HydrophobicContact CB-CE2 3.84Å; P316-F318 HydrophobicContact CB-CZ 3.97Å; P316-F318 HydrophobicContact CG-CE2 3.71Å; P316-F318 HydrophobicContact CG-CZ 4.04Å; P316-F318 VanDerWaalsContact O-CD2 3.3Å; P316-F318 WeakPolarHBondContact O-CD2 3.25Å; P316-F318 PolarHBondContact O-N 3.49Å |
| 317 | Q | 71.1 | Confident | 67.6 | Low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | | | trans | -78.1 | 87.8 | 177.7 | -116 | 145.1 | -56.2 | 0 | 0 | 106.9 | K315 N319 | K315-Q317 PolarHBondContact O-N 3.3Å; Q317-N319 PolarHBondContact O-N 2.95Å |
| 318 | F | 72 | Confident | 67 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | | | trans | -67.8 | 126.1 | 168.9 | -61.2 | -79.4 | 0 | 0 | 0 | 108.1 | P316 T320 | P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 HydrophobicContact CB-CD2 4.41Å; P316-F318 HydrophobicContact CB-CE2 3.84Å; P316-F318 HydrophobicContact CB-CZ 3.97Å; P316-F318 HydrophobicContact CG-CE2 3.71Å; P316-F318 HydrophobicContact CG-CZ 4.04Å; P316-F318 VanDerWaalsContact O-CD2 3.3Å; P316-F318 WeakPolarHBondContact O-CD2 3.25Å; P316-F318 PolarHBondContact O-N 3.49Å; F318-T320 HydrophobicContact CB-CG2 4.07Å; F318-T320 PolarHBondContact O-N 2.83Å |
| 319 | N | 71.1 | Confident | 66.6 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 89% | 0.893 | 68% | 0.683 | S | S | * | * | | | trans | -69.2 | 67.1 | 165.7 | -74.1 | -19.6 | 0 | 0 | 0 | 109.3 | Q317 R321 | Q317-N319 PolarHBondContact O-N 2.95Å; N319-R321 PolarHBondContact O-N 3.35Å |
| 320 | T | 75.2 | Confident | 66.5 | Low | 112 Ų | 112 | 125.8 Ų | 125.8 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 116.5 | 166.8 | 48 | 0 | 0 | 0 | 0 | 107.5 | F318 K322 | F318-T320 HydrophobicContact CB-CG2 4.07Å; F318-T320 PolarHBondContact O-N 2.83Å; T320-K322 PolarHBondContact O-N 3.22Å |
| 321 | R | 73.6 | Confident | 66.5 | Low | 185 Ų | 185 | 125.1 Ų | 125.1 | 70% | 0.698 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 134.1 | 173.6 | -64.5 | 176.9 | 75.2 | 114.2 | 1.2 | 108.4 | N319 E325 | N319-R321 PolarHBondContact O-N 3.35Å; R321-E325 PolarHBondContact NE-O 3.31Å; R321-E325 PolarHBondContact NH2-O 3.25Å |
| 322 | K | 75.7 | Confident | 66.7 | Low | 150 Ų | 150 | 128.7 Ų | 128.7 | 65% | 0.652 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.3 | 173.8 | -64.6 | -64.5 | -177.3 | -176.9 | 0 | 108.4 | T320 G324 E325 | T320-K322 PolarHBondContact O-N 3.22Å; K322-G324 PolarHBondContact O-N 3.03Å; K322-E325 HydrophobicContact CB-CB 4.35Å; K322-E325 PolarHBondContact O-N 3.24Å |
| 323 | P | 66.5 | Low | 66.9 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 117.9 | 174.3 | 22.8 | -31.1 | 0 | 0 | 0 | 108.7 | | |
| 324 | G | 66.3 | Low | 67.4 | Low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.7 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K322 G326 | K322-G324 PolarHBondContact O-N 3.03Å; G324-G326 PolarHBondContact O-N 3.03Å |
| 325 | E | 63.1 | Low | 67.8 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 58% | 0.584 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -97.4 | 76.4 | 178.2 | -163.4 | 173.3 | -165 | 0 | 0 | 109.3 | R321 K322 | R321-E325 PolarHBondContact NE-O 3.31Å; R321-E325 PolarHBondContact NH2-O 3.25Å; K322-E325 HydrophobicContact CB-CB 4.35Å; K322-E325 PolarHBondContact O-N 3.24Å |
| 326 | G | 60.6 | Low | 68.2 | Low | 33 Ų | 33 | 120.4 Ų | 120.4 | 34% | 0.34 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 168.6 | -22.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G324 T328 | G324-G326 PolarHBondContact O-N 3.03Å; G326-T328 VanDerWaalsContact C-N 3.28Å; G326-T328 PolarHBondContact O-N 3.39Å |
| 327 | D | 59.2 | Low | 68.3 | Low | 125 Ų | 125 | 121.3 Ų | 121.3 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | | | trans | -93.9 | 58.7 | 172 | -63.5 | -27.3 | 0 | 0 | 0 | 109.9 | N329 | D327-N329 PolarHBondContact O-N 3.43Š|
| 328 | T | 56.4 | Low | 68.5 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 53% | 0.534 | 66% | 0.66 | S | S | . | * | | | trans | -79.8 | 113.2 | 162.3 | 55.4 | 0 | 0 | 0 | 0 | 107.1 | G326 A330 T331 | G326-T328 VanDerWaalsContact C-N 3.28Å; G326-T328 PolarHBondContact O-N 3.39Å; T328-A330 PolarHBondContact O-N 3.32Å; T328-T331 PolarHBondContact O-N 3.33Å; T328-T331 VanDerWaalsContact O-N 3.1Å; T328-T331 PolarHBondContact O-OG1 3.01Å |
| 329 | N | 57.9 | Low | 68.5 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -49.7 | -7.4 | 169.8 | -66.8 | -42.6 | 0 | 0 | 0 | 114.2 | D327 T331 W332 T333 | D327-N329 PolarHBondContact O-N 3.43Å; N329-T331 VanDerWaalsContact C-N 3.35Å; N329-W332 PolarHBondContact O-N 2.93Å; N329-T333 WeakPolarHBondContact O-CG2 3.33Å |
| 330 | A | 65.5 | Low | 68.6 | Low | 71 Ų | 71 | 119.6 Ų | 119.6 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -67.2 | -23.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T328 W332 T333 | T328-A330 PolarHBondContact O-N 3.32Å; A330-W332 VanDerWaalsContact C-N 3.32Å; A330-T333 PolarHBondContact O-OG1 3.07Å |
| 331 | T | 64.6 | Low | 68.2 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -80.1 | -14.5 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 113 | T328 N329 | T328-T331 PolarHBondContact O-N 3.33Å; T328-T331 VanDerWaalsContact O-N 3.1Å; T328-T331 PolarHBondContact O-OG1 3.01Å; N329-T331 VanDerWaalsContact C-N 3.35Å |
| 332 | W | 66 | Low | 67.4 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -108.5 | 2.7 | -176.8 | -56.4 | -21.5 | 0 | 0 | 0 | 113.9 | N329 A330 T334 L335 | N329-W332 PolarHBondContact O-N 2.93Å; A330-W332 VanDerWaalsContact C-N 3.32Å; W332-T334 PolarHBondContact O-N 3.42Å; W332-L335 HydrophobicContact CB-CD1 4.37Å; W332-L335 PolarHBondContact O-N 3.47Å |
| 333 | T | 67.4 | Low | 66.6 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 69% | 0.693 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -14.7 | 178.7 | 51.7 | 0 | 0 | 0 | 0 | 114 | N329 A330 | N329-T333 WeakPolarHBondContact O-CG2 3.33Å; A330-T333 PolarHBondContact O-OG1 3.07Å |
| 334 | T | 73.9 | Confident | 66 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 0.6 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | W332 V336 | W332-T334 PolarHBondContact O-N 3.42Å; T334-V336 PolarHBondContact O-N 2.88Å |
| 335 | L | 74.2 | Confident | 65.6 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | | | trans | -88.3 | 108.8 | 176.7 | -63.7 | 176.5 | 0 | 0 | 0 | 110.2 | W332 P337 | W332-L335 HydrophobicContact CB-CD1 4.37Å; W332-L335 PolarHBondContact O-N 3.47Å; L335-P337 WeakPolarHBondContact O-CD 3.44Å |
| 336 | V | 78.2 | Confident | 65.2 | Low | 125 Ų | 125 | 113.5 Ų | 113.5 | 76% | 0.758 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.1 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 108 | T334 L338 | T334-V336 PolarHBondContact O-N 2.88Å; V336-L338 PolarHBondContact O-N 3.44Å; V336-L338 VanDerWaalsContact O-N 3.12Å |
| 337 | P | 75.8 | Confident | 65 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.1 | 176.3 | 24.9 | -31.4 | 0 | 0 | 0 | 109.4 | L335 Q339 | L335-P337 WeakPolarHBondContact O-CD 3.44Å; P337-Q339 PolarHBondContact O-N 3.32Å |
| 338 | L | 74.4 | Confident | 64.7 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 118.1 | 170.9 | -122.8 | 80.6 | 0 | 0 | 0 | 108.3 | V336 R340 I343 | V336-L338 PolarHBondContact O-N 3.44Å; V336-L338 VanDerWaalsContact O-N 3.12Å; L338-R340 PolarHBondContact O-N 2.81Å; L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CD2-CD1 4.16Å; L338-I343 HydrophobicContact CD2-CG1 3.81Å |
| 339 | Q | 72.2 | Confident | 64.7 | Low | 126 Ų | 126 | 120.4 Ų | 120.4 | 59% | 0.589 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.9 | 173.1 | -67.5 | 177.3 | -17.6 | 0 | 0 | 108.2 | P337 D341 Q342 | P337-Q339 PolarHBondContact O-N 3.32Å; Q339-D341 PolarHBondContact O-N 2.73Å; Q339-Q342 PolarHBondContact O-N 2.99Å |
| 340 | R | 73 | Confident | 64.5 | Low | 218 Ų | 218 | 123.9 Ų | 123.9 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -52.5 | -24.2 | -178 | -70.8 | -177.4 | -176.4 | 130.4 | 0.6 | 113 | L338 Q342 I343 | L338-R340 PolarHBondContact O-N 2.81Å; R340-Q342 VanDerWaalsContact C-N 3.27Å; R340-Q342 PolarHBondContact O-N 2.86Å; R340-I343 PolarHBondContact O-N 2.97Å |
| 341 | D | 66.8 | Low | 64 | Low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.4 | -12.5 | -177.9 | -47 | -14.1 | 0 | 0 | 0 | 113.3 | Q339 | Q339-D341 PolarHBondContact O-N 2.73Å |
| 342 | Q | 58.8 | Low | 63.6 | Low | 118 Ų | 118 | 132.1 Ų | 132.1 | 55% | 0.551 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -95.5 | -17.8 | 173.1 | -61.2 | -173.4 | 22.9 | 0 | 0 | 112.7 | Q339 R340 K345 N346 | Q339-Q342 PolarHBondContact O-N 2.99Å; R340-Q342 VanDerWaalsContact C-N 3.27Å; R340-Q342 PolarHBondContact O-N 2.86Å; Q342-K345 PolarHBondContact O-N 3.42Å; Q342-N346 PolarHBondContact O-OD1 2.93Å |
| 343 | I | 57.7 | Low | 62.7 | Low | 62 Ų | 62 | 133.5 Ų | 133.5 | 32% | 0.318 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -75 | -30.5 | 175.7 | -59 | 172.5 | 0 | 0 | 0 | 110.6 | L338 R340 K345 N346 E347 | L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CD2-CD1 4.16Å; L338-I343 HydrophobicContact CD2-CG1 3.81Å; R340-I343 PolarHBondContact O-N 2.97Å; I343-K345 PolarHBondContact O-N 3.3Å; I343-N346 VanDerWaalsContact C-OD1 3.28Å; I343-N346 VanDerWaalsContact CA-OD1 3.26Å; I343-N346 WeakPolarHBondContact CA-OD1 3.37Å; I343-N346 PolarHBondContact O-OD1 3.34Å; I343-E347 WeakPolarHBondContact O-CG 3.26Å |
| 344 | G | 54.8 | Low | 62 | Low | 56 Ų | 56 | 135.7 Ų | 135.7 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74 | -3.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 345 | K | 57.4 | Low | 61.4 | Low | 179 Ų | 179 | 136.1 Ų | 136.1 | 78% | 0.778 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -113.8 | -17.5 | -176 | -91.7 | 172.4 | -179.1 | 164 | 0 | 114.6 | Q342 I343 | Q342-K345 PolarHBondContact O-N 3.42Å; I343-K345 PolarHBondContact O-N 3.3Å |
| 346 | N | 54.8 | Low | 60.6 | Low | 101 Ų | 101 | 136.5 Ų | 136.5 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -97.3 | -10.2 | 175.2 | 57.3 | -10.1 | 0 | 0 | 0 | 113.3 | Q342 I343 S348 | Q342-N346 PolarHBondContact O-OD1 2.93Å; I343-N346 VanDerWaalsContact C-OD1 3.28Å; I343-N346 VanDerWaalsContact CA-OD1 3.26Å; I343-N346 WeakPolarHBondContact CA-OD1 3.37Å; I343-N346 PolarHBondContact O-OD1 3.34Å; N346-S348 PolarHBondContact O-N 2.76Å |
| 347 | E | 55.2 | Low | 59.8 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -0.4 | 170.9 | -71 | 175 | 177 | 0 | 0 | 113.8 | I343 | I343-E347 WeakPolarHBondContact O-CG 3.26Š|
| 348 | S | 53.9 | Low | 59.2 | Low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 10.5 | -176 | -171.5 | 0 | 0 | 0 | 0 | 114.4 | N346 | N346-S348 PolarHBondContact O-N 2.76Š|
| 349 | N | 56.2 | Low | 58.4 | Low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -133 | 26.6 | -173.9 | -162.5 | 46.5 | 0 | 0 | 0 | 114.7 | | |
| 350 | E | 52.7 | Low | 57.5 | Low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | | | trans | -117.2 | 60.8 | 163 | -87.6 | -178.8 | 168.7 | 0 | 0 | 108.9 | | |
| 351 | D | 56.1 | Low | 56.7 | Low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | | | trans | -72.1 | 136.9 | 153.4 | -73.6 | -47.3 | 0 | 0 | 0 | 107.5 | | |
| 352 | E | 55.9 | Low | 56.5 | Low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | | | trans | 101.5 | 41 | 161.1 | -147.8 | 155.9 | -156.2 | 0 | 0 | 119.5 | | |
| 353 | F | 47.4 | Very low | 56.8 | Low | 177 Ų | 177 | 145 Ų | 145 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -138.2 | 83 | 149.5 | -136.3 | -99.8 | 0 | 0 | 0 | 111.4 | D355 | F353-D355 HydrophobicContact CD1-CB 4.17Å; F353-D355 WeakPolarHBondContact CE1-OD2 3.47Å; F353-D355 PolarHBondContact O-N 2.94Å |
| 354 | D | 53.3 | Low | 57.4 | Low | 159 Ų | 159 | 150.8 Ų | 150.8 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | trans | -71.9 | 61.2 | 174.6 | -120.9 | -14 | 0 | 0 | 0 | 110.7 | E356 | D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 2.88Å |
| 355 | D | 59.8 | Low | 58.2 | Low | 129 Ų | 129 | 156.1 Ų | 156.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | | | trans | -88.2 | 76.2 | 163.6 | -94.3 | -18 | 0 | 0 | 0 | 107.9 | F353 P357 | F353-D355 HydrophobicContact CD1-CB 4.17Å; F353-D355 WeakPolarHBondContact CE1-OD2 3.47Å; F353-D355 PolarHBondContact O-N 2.94Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å; D355-P357 VanDerWaalsContact O-N 3.14Å |
| 356 | E | 57.3 | Low | 59 | Low | 136 Ų | 136 | 152.9 Ų | 152.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -45.3 | 122.4 | 168.4 | -78.8 | -177.9 | 153.1 | 0 | 0 | 109.1 | D354 Q358 | D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 2.88Å; E356-Q358 PolarHBondContact O-N 2.9Å |
| 357 | P | 62 | Low | 60.1 | Low | 122 Ų | 122 | 153.8 Ų | 153.8 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | trans | -69.9 | 85.3 | 168 | 29.2 | -32.3 | 0 | 0 | 0 | 106.9 | D355 P359 | D355-P357 WeakPolarHBondContact O-CD 3.49Å; D355-P357 VanDerWaalsContact O-N 3.14Å; P357-P359 WeakPolarHBondContact O-CD 3.32Å |
| 358 | Q | 62.3 | Low | 60.9 | Low | 137 Ų | 137 | 153.5 Ų | 153.5 | 64% | 0.64 | 75% | 0.754 | S | S | * | * | | | trans | -44.4 | 113.1 | 169.3 | -80.2 | -77.7 | -39.4 | 0 | 0 | 106.7 | E356 R360 | E356-Q358 PolarHBondContact O-N 2.9Å; Q358-R360 PolarHBondContact O-N 3.31Å |
| 359 | P | 58.5 | Low | 61.9 | Low | 114 Ų | 114 | 154 Ų | 154 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | trans | -65.6 | 92.4 | 177.2 | -14.6 | 27.7 | 0 | 0 | 0 | 105.6 | P357 H361 | P357-P359 WeakPolarHBondContact O-CD 3.32Å; P359-H361 PolarHBondContact O-N 2.96Å |
| 360 | R | 53.6 | Low | 62.8 | Low | 224 Ų | 224 | 150.7 Ų | 150.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | -61.4 | 95.4 | 168.2 | -73 | -178.2 | -178.9 | -100.7 | 0 | 104 | Q358 R362 | Q358-R360 PolarHBondContact O-N 3.31Å; R360-R362 PolarHBondContact O-N 3.28Å |
| 361 | H | 56.7 | Low | 63.7 | Low | 139 Ų | 139 | 149 Ų | 149 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | | | trans | -39.3 | 107.7 | 166.9 | 38.6 | -119.2 | 0 | 0 | 0 | 106.1 | P359 K363 | P359-H361 PolarHBondContact O-N 2.96Å; H361-K363 PolarHBondContact O-N 3.46Å |
| 362 | R | 61.4 | Low | 64.6 | Low | 234 Ų | 234 | 146.8 Ų | 146.8 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | trans | -68 | 86.1 | 163.6 | -73.5 | -178.5 | 165.8 | -171.5 | -3.8 | 103.8 | R360 K364 | R360-R362 PolarHBondContact O-N 3.28Å; R362-K364 PolarHBondContact O-N 2.94Å |
| 363 | K | 65.6 | Low | 65.3 | Low | 157 Ų | 157 | 146.8 Ų | 146.8 | 68% | 0.683 | 73% | 0.73 | S | S | * | * | | | trans | -57.3 | 94.8 | 159.4 | -71.4 | 179.9 | -177 | 174.7 | 0 | 103 | H361 E365 | H361-K363 PolarHBondContact O-N 3.46Å; K363-E365 PolarHBondContact O-N 3.36Å |
| 364 | K | 69.6 | Low | 66.1 | Low | 184 Ų | 184 | 147.7 Ų | 147.7 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | -60.3 | 98.8 | 166.3 | -65.9 | 178.2 | -177.2 | 178.1 | 0 | 102.9 | R362 V366 | R362-K364 PolarHBondContact O-N 2.94Å; K364-V366 HydrophobicContact CB-CG2 4.29Å; K364-V366 PolarHBondContact O-N 2.92Å |
| 365 | E | 72.4 | Confident | 66.1 | Low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | | | trans | -65.5 | 86.8 | 167.5 | -69 | -176.6 | 177.5 | 0 | 0 | 105.3 | K363 I367 | K363-E365 PolarHBondContact O-N 3.36Å; E365-I367 HydrophobicContact CB-CG1 4.44Å; E365-I367 PolarHBondContact O-N 3.01Å |
| 366 | V | 74.2 | Confident | 65.9 | Low | 112 Ų | 112 | 145.2 Ų | 145.2 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | | | trans | -71.8 | 91.9 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 104.4 | K364 D368 | K364-V366 HydrophobicContact CB-CG2 4.29Å; K364-V366 PolarHBondContact O-N 2.92Å; V366-D368 PolarHBondContact O-N 3.39Å |
| 367 | I | 77.1 | Confident | 65.7 | Low | 120 Ų | 120 | 141.6 Ų | 141.6 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | trans | -78.7 | 107.6 | 169.5 | -56.2 | 173.7 | 0 | 0 | 0 | 105.6 | E365 I369 | E365-I367 HydrophobicContact CB-CG1 4.44Å; E365-I367 PolarHBondContact O-N 3.01Å; I367-I369 HydrophobicContact CB-CG1 4.36Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I367-I369 PolarHBondContact O-N 2.98Å |
| 368 | D | 72.4 | Confident | 65.3 | Low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | | | trans | -68.5 | 82.6 | 169.2 | -70.9 | -20.4 | 0 | 0 | 0 | 108.5 | V366 G370 | V366-D368 PolarHBondContact O-N 3.39Å; D368-G370 VanDerWaalsContact C-N 3.32Å; D368-G370 PolarHBondContact O-N 2.72Å |
| 369 | I | 76.2 | Confident | 64.7 | Low | 109 Ų | 109 | 143.9 Ų | 143.9 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | | | trans | -70.8 | 94.9 | 172 | -57.3 | 175.5 | 0 | 0 | 0 | 107 | I367 F371 | I367-I369 HydrophobicContact CB-CG1 4.36Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I367-I369 PolarHBondContact O-N 2.98Å; I369-F371 HydrophobicContact CB-CE2 4.08Å; I369-F371 HydrophobicContact CB-CZ 4.34Å; I369-F371 HydrophobicContact CG2-CD1 4.32Å; I369-F371 HydrophobicContact CG2-CD2 4.12Å; I369-F371 HydrophobicContact CG2-CE1 3.94Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CG 4.4Å; I369-F371 HydrophobicContact CG2-CZ 3.63Å; I369-F371 WeakPolarHBondContact O-CD2 3.35Å; I369-F371 PolarHBondContact O-N 2.92Å |
| 370 | G | 74 | Confident | 64.5 | Low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | | | trans | -68.1 | 93.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D368 S372 | D368-G370 VanDerWaalsContact C-N 3.32Å; D368-G370 PolarHBondContact O-N 2.72Å; G370-S372 PolarHBondContact O-N 3.44Å |
| 371 | F | 72.2 | Confident | 64.6 | Low | 160 Ų | 160 | 141.1 Ų | 141.1 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | | | trans | -69.8 | 95.8 | 166.5 | -64.3 | -79.9 | 0 | 0 | 0 | 108.8 | I369 F373 | I369-F371 HydrophobicContact CB-CE2 4.08Å; I369-F371 HydrophobicContact CB-CZ 4.34Å; I369-F371 HydrophobicContact CG2-CD1 4.32Å; I369-F371 HydrophobicContact CG2-CD2 4.12Å; I369-F371 HydrophobicContact CG2-CE1 3.94Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CG 4.4Å; I369-F371 HydrophobicContact CG2-CZ 3.63Å; I369-F371 WeakPolarHBondContact O-CD2 3.35Å; I369-F371 PolarHBondContact O-N 2.92Å; F371-F373 HydrophobicContact CB-CE2 4.49Å |
| 372 | S | 73.6 | Confident | 64.3 | Low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | -90.8 | 102.7 | 162.7 | 66.9 | 0 | 0 | 0 | 0 | 107.9 | G370 R374 | G370-S372 PolarHBondContact O-N 3.44Å; S372-R374 PolarHBondContact O-N 3.34Å |
| 373 | F | 71.7 | Confident | 63.7 | Low | 186 Ų | 186 | 144.4 Ų | 144.4 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | | | trans | -62.2 | 107.3 | 160.8 | -64.4 | -78.5 | 0 | 0 | 0 | 106.4 | F371 D375 | F371-F373 HydrophobicContact CB-CE2 4.49Å; F373-D375 PolarHBondContact O-N 3.1Å |
| 374 | R | 63.1 | Low | 62.7 | Low | 197 Ų | 197 | 147.4 Ų | 147.4 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | trans | -66.4 | 97.9 | 155.9 | -74.1 | -174.7 | -179.9 | 177.4 | 2.8 | 103.9 | S372 D376 | S372-R374 PolarHBondContact O-N 3.34Å; R374-D376 PolarHBondContact O-N 3.08Å |
| 375 | D | 55 | Low | 61.4 | Low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | -64 | 81.2 | 168.4 | -160.4 | 3.6 | 0 | 0 | 0 | 106.7 | F373 G377 | F373-D375 PolarHBondContact O-N 3.1Å; D375-G377 PolarHBondContact O-N 3.38Å |
| 376 | D | 55 | Low | 60 | Low | 103 Ų | 103 | 145.4 Ų | 145.4 | 55% | 0.551 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -68.8 | 3.7 | 177.7 | -70.9 | -32.1 | 0 | 0 | 0 | 110.7 | R374 T378 R379 | R374-D376 PolarHBondContact O-N 3.08Å; D376-T378 PolarHBondContact O-N 3.07Å; D376-T378 VanDerWaalsContact O-N 3.08Å; D376-R379 PolarHBondContact O-N 3.42Å |
| 377 | G | 53.2 | Low | 58.3 | Low | 59 Ų | 59 | 144 Ų | 144 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -66.2 | 1.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D375 | D375-G377 PolarHBondContact O-N 3.38Š|
| 378 | T | 53.1 | Low | 56.8 | Low | 104 Ų | 104 | 145.7 Ų | 145.7 | 64% | 0.638 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -116.9 | 2.5 | 175.6 | 60.9 | 0 | 0 | 0 | 0 | 114.8 | D376 | D376-T378 PolarHBondContact O-N 3.07Å; D376-T378 VanDerWaalsContact O-N 3.08Å |
| 379 | R | 50.6 | Low | 55.5 | Low | 204 Ų | 204 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -92.1 | -6.7 | -178.6 | -90.3 | 176.3 | -170.6 | 170.9 | 5.1 | 116 | D376 | D376-R379 PolarHBondContact O-N 3.42Š|
| 380 | S | 54.8 | Low | 54 | Low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -96.6 | -7.8 | 177.6 | 78.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 381 | Q | 55.4 | Low | 52.4 | Low | 171 Ų | 171 | 149.6 Ų | 149.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -125.3 | 9.5 | -171.2 | -69.7 | -160.9 | -71 | 0 | 0 | 117.4 | | |
| 382 | R | 49 | Very low | 51 | Low | 220 Ų | 220 | 146.1 Ų | 146.1 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -134 | 26.8 | -177.6 | -63.6 | -153.8 | -156 | -118 | 9.7 | 118.5 | | |
| 383 | R | 49.6 | Very low | 49.5 | Very low | 222 Ų | 222 | 151.6 Ų | 151.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -144.8 | 70.8 | 165.8 | -82.9 | -162.6 | -108.9 | -162.8 | -4.5 | 114.2 | G385 | R383-G385 PolarHBondContact O-N 3.31Š|
| 384 | F | 44.5 | Very low | 48.2 | Very low | 219 Ų | 219 | 155.2 Ų | 155.2 | 96% | 0.961 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -58.9 | 118.3 | 138 | -75.8 | -86.5 | 0 | 0 | 0 | 107.9 | | |
| 385 | G | 42.8 | Very low | 47.2 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 88.5 | 71.3 | 158 | 0 | 0 | 0 | 0 | 0 | 118.9 | R383 | R383-G385 PolarHBondContact O-N 3.31Š|
| 386 | R | 42.4 | Very low | 46.7 | Very low | 238 Ų | 238 | 148.9 Ų | 148.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 172.1 | 114.4 | 137 | -105.9 | -177.9 | 179.6 | -157 | 1 | 110.7 | | |
| 387 | G | 38.4 | Very low | 46.2 | Very low | 82 Ų | 82 | 148.9 Ų | 148.9 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 105.2 | 43.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 388 | V | 45.6 | Very low | 45.9 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | | | trans | -76.2 | 127.7 | 156.9 | 175.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 389 | G | 44.6 | Very low | 45.3 | Very low | 66 Ų | 66 | 157.6 Ų | 157.6 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | 85.4 | 52.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | G391 | G389-G391 PolarHBondContact O-N 2.92Š|
| 390 | R | 44.5 | Very low | 45.2 | Very low | 264 Ų | 264 | 159.7 Ų | 159.7 | 100% | 0.996 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -81.5 | 97.6 | 148 | -82.4 | -168.1 | 175.9 | 126.8 | -1.1 | 107.9 | | |
| 391 | G | 40.8 | Very low | 44.5 | Very low | 75 Ų | 75 | 158.6 Ų | 158.6 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 125.5 | 64.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G389 | G389-G391 PolarHBondContact O-N 2.92Š|
| 392 | S | 44.1 | Very low | 44 | Very low | 87 Ų | 87 | 153.4 Ų | 153.4 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -169.5 | 136.1 | 146.1 | -159.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 393 | Y | 41.3 | Very low | 43.9 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | 74.8 | 60.6 | -177.7 | -41.1 | -73.7 | 0 | 0 | 0 | 117.8 | | |
| 394 | R | 44.5 | Very low | 43.6 | Very low | 262 Ų | 262 | 154.7 Ų | 154.7 | 99% | 0.989 | 83% | 0.826 | S | S | * | * | | | trans | -124.2 | 59.7 | 142.2 | -75.8 | -164.1 | -172.2 | -148.4 | 2.1 | 109.4 | | |
| 395 | G | 41.6 | Very low | 43.4 | Very low | 66 Ų | 66 | 146.9 Ų | 146.9 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | | | trans | -119.2 | 68 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 396 | V | 45.5 | Very low | 43.7 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -138.3 | 99.2 | 159.9 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 397 | P | 43.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 154 Ų | 154 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | -91.1 | 110.9 | 155.6 | 32.1 | -20.4 | 0 | 0 | 0 | 106.7 | | |
| 398 | R | 47.5 | Very low | 43.7 | Very low | 227 Ų | 227 | 153.4 Ų | 153.4 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | 162.4 | 114.1 | 153 | -87.9 | 149.3 | -167.8 | 154.8 | 0.4 | 110.9 | | |
| 399 | S | 41.3 | Very low | 43.5 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | 53.4 | 88.1 | 131 | -50.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 400 | R | 47.7 | Very low | 43.4 | Very low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | | | trans | -140.3 | 66.6 | 139.7 | -139.9 | 175 | -163.8 | 165.4 | 4.3 | 110 | G402 | R400-G402 PolarHBondContact O-N 3.32Š|
| 401 | G | 40.1 | Very low | 43.2 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -62.3 | 112.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 402 | G | 45.4 | Very low | 43.2 | Very low | 61 Ų | 61 | 147.7 Ų | 147.7 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | -157.9 | 108.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R400 | R400-G402 PolarHBondContact O-N 3.32Š|
| 403 | R | 45.8 | Very low | 43.1 | Very low | 208 Ų | 208 | 149.9 Ų | 149.9 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 79.7 | 59.9 | 160.2 | -53.9 | -78.8 | -117.8 | -105.8 | -6 | 117 | | |
| 404 | R | 44.6 | Very low | 43.2 | Very low | 262 Ų | 262 | 142.5 Ų | 142.5 | 99% | 0.989 | 80% | 0.798 | S | S | * | * | | | trans | -119.7 | 87 | 139.1 | -72.8 | -173.1 | -171.6 | 177 | 2.7 | 107.5 | | |
| 405 | G | 39.8 | Very low | 43.2 | Very low | 55 Ų | 55 | 137.6 Ų | 137.6 | 57% | 0.567 | 80% | 0.797 | S | S | * | * | | | trans | -179.2 | 80.1 | -175 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 406 | Y | 48.8 | Very low | 43.3 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | trans | -144.1 | 77.7 | 152.4 | -83.8 | -75.8 | 0 | 0 | 0 | 106.9 | | |
| 407 | R | 41 | Very low | 43.2 | Very low | 259 Ų | 259 | 143.4 Ų | 143.4 | 98% | 0.977 | 80% | 0.803 | S | S | * | * | | | trans | -99.4 | 113.5 | 153.2 | -137.3 | -165.6 | -151.7 | -162.1 | 7.8 | 103.8 | | |
| 408 | G | 39.1 | Very low | 43.1 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 108.7 | 100.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 409 | S | 42.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | 154.1 | 127 | 149.8 | -171.4 | 0 | 0 | 0 | 0 | 105.2 | | |
| 410 | A | 43.5 | Very low | 42.8 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 56% | 0.562 | 80% | 0.804 | S | S | * | * | | | cis | -170.7 | 153.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 103.4 | | |
| 411 | L | 38.9 | Very low | 42.5 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | | | trans | 61.3 | 110.5 | 152.1 | -60.1 | 143 | 0 | 0 | 0 | 118.2 | | |
| 412 | G | 41.5 | Very low | 42.8 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 135.3 | 101.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 413 | S | 41.6 | Very low | 42.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | 59.6 | 115.3 | 135.3 | -150.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 414 | G | 43.6 | Very low | 42.7 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | cis | 172.3 | 175.2 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 415 | V | 44.9 | Very low | 42.7 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 97% | 0.97 | 78% | 0.777 | S | S | * | * | | | trans | 69.7 | 121 | 158.2 | -157.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 416 | G | 44.1 | Very low | 43.1 | Very low | 60 Ų | 60 | 132.2 Ų | 132.2 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | cis | -168.7 | 129.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 417 | R | 42.7 | Very low | 42.8 | Very low | 259 Ų | 259 | 126.7 Ų | 126.7 | 98% | 0.977 | 80% | 0.797 | S | S | * | * | | | | 69.2 | 120.8 | 101 | -67.8 | -165.8 | -172.7 | -162.3 | 3.9 | 117.1 | | |
| 418 | G | 41.7 | Very low | 43 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 116.7 | 86.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 419 | F | 38.7 | Very low | 43.1 | Very low | 207 Ų | 207 | 124.1 Ų | 124.1 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | | | | 51.6 | 115.4 | 71 | -155 | -89.7 | 0 | 0 | 0 | 114.9 | | |
| 420 | G | 42.7 | Very low | 43.1 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | -178.7 | 66.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 421 | S | 40.9 | Very low | 43.1 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 118.9 | 169.9 | 156.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 422 | Y | 47.2 | Very low | 43.2 | Very low | 212 Ų | 212 | 121.1 Ų | 121.1 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -121.8 | 109 | 152.3 | 56.3 | -86.3 | 0 | 0 | 0 | 105.3 | | |
| 423 | S | 45.5 | Very low | 43.2 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | | 67.7 | 116.9 | 80.2 | -167.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 424 | S | 44.4 | Very low | 43.2 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | 106.5 | 106.1 | 147.4 | -136.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 425 | S | 44.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | | | trans | 53.2 | 105.9 | 134 | 50.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 426 | D | 47 | Very low | 43.3 | Very low | 168 Ų | 168 | 119.3 Ų | 119.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | | -170.1 | 131.3 | 103.2 | -103.1 | -26.8 | 0 | 0 | 0 | 114 | | |
| 427 | G | 42.9 | Very low | 43.3 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | 42.5 | 106.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 428 | G | 46.3 | Very low | 43.4 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -174.6 | 60.4 | 162 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 429 | F | 39.9 | Very low | 43.6 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -65.1 | 124.6 | 172 | 74.6 | -82.6 | 0 | 0 | 0 | 109.4 | | |
| 430 | A | 43.2 | Very low | 43.9 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 60% | 0.595 | 80% | 0.795 | S | S | * | * | | | | 93.7 | 131.9 | 72 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 431 | T | 41.9 | Very low | 44.1 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | 85.8 | 87.2 | 157.1 | 68.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 432 | G | 41.6 | Very low | 44.3 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | | | trans | -105.8 | 94.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 433 | G | 42.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -98.9 | 165.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 434 | G | 42.1 | Very low | 44.3 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | 131.2 | 141.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 435 | D | 44.6 | Very low | 44.3 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | | | trans | 81.5 | 108.8 | 177.2 | -45.7 | -23.5 | 0 | 0 | 0 | 114 | | |
| 436 | G | 45.7 | Very low | 44.5 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | cis | 147.4 | 100.2 | 18.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 437 | F | 44.3 | Very low | 44.3 | Very low | 199 Ų | 199 | 123.2 Ų | 123.2 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | | | trans | -25.8 | 139.4 | 171.4 | -60.1 | -95.1 | 0 | 0 | 0 | 116.9 | | |
| 438 | R | 44.6 | Very low | 44.5 | Very low | 251 Ų | 251 | 123.3 Ų | 123.3 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | | | | -173.7 | 106 | 117.6 | -98 | 164 | -169.3 | -152.9 | 3 | 111.6 | | |
| 439 | N | 44.6 | Very low | 44.2 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -76.9 | 152.9 | 164.8 | -77.5 | -42 | 0 | 0 | 0 | 110.9 | | |
| 440 | G | 45.7 | Very low | 44.7 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 175.8 | 71.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 441 | T | 46.1 | Very low | 44.7 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | | 56.9 | 142 | 93.8 | 54.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 442 | L | 45.8 | Very low | 44.9 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | trans | 86.5 | 133.4 | 172 | -91.3 | 67.2 | 0 | 0 | 0 | 116.1 | | |
| 443 | D | 47.2 | Very low | 45.2 | Very low | 103 Ų | 103 | 131 Ų | 131 | 55% | 0.551 | 80% | 0.796 | S | S | * | * | | | cis | 178.7 | 154.3 | -13.6 | -125.9 | -11 | 0 | 0 | 0 | 107 | | |
| 444 | K | 46.1 | Very low | 45.4 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 63.8 | 139.1 | 143.7 | -67.3 | 162.2 | -176.1 | 146.4 | 0 | 118.5 | | |
| 445 | S | 43.8 | Very low | 45.7 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | cis | 152.3 | 152.2 | -7.2 | 48.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 446 | S | 49 | Very low | 45.7 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 72.1 | 135.2 | 171.7 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 447 | G | 42.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | cis | 151.8 | 145.2 | 13.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 448 | G | 45.9 | Very low | 45.8 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | 142.6 | 83.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 449 | E | 41.4 | Very low | 45.8 | Very low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -65.1 | 147.7 | 154.3 | -81.8 | 158.9 | 128.8 | 0 | 0 | 111.3 | | |
| 450 | S | 49.4 | Very low | 45.9 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | | -173.4 | 123.9 | 125.3 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 451 | D | 44.7 | Very low | 46.3 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -61.6 | 141.6 | 167.4 | -58.5 | -61.3 | 0 | 0 | 0 | 112.4 | | |
| 452 | I | 45.8 | Very low | 46.6 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -134.7 | 113.8 | 148.2 | -64.1 | -175.9 | 0 | 0 | 0 | 109.1 | | |
| 453 | V | 48.3 | Very low | 46.6 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -76.6 | 132.2 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 454 | G | 45.1 | Very low | 46.3 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -130.6 | 85.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 455 | S | 48 | Very low | 46.2 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -77 | 145 | 178.7 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 456 | A | 45.9 | Very low | 46.2 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | 152.2 | 105.6 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 457 | A | 44.3 | Very low | 45.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | | 71.5 | 128 | 87.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 458 | A | 47 | Very low | 46.2 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | cis | -157.5 | 135.7 | 28 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 459 | A | 45.4 | Very low | 46 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | | 54 | 133.6 | 92 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 460 | T | 46.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | 179.1 | 167.7 | -4 | 29.5 | 0 | 0 | 0 | 0 | 104.8 | | |
| 461 | K | 53.1 | Low | 45.6 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | | | trans | 103.1 | 111.2 | 156.1 | -63.5 | -168.2 | 152.3 | -137.5 | 0 | 116.5 | | |
| 462 | E | 52.4 | Low | 45.6 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | | 74.7 | 118 | 96.8 | -66.6 | 158.6 | -166.9 | 0 | 0 | 107.9 | | |
| 463 | D | 46.7 | Very low | 45.8 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | cis | -161.8 | 146.7 | 29.3 | -84.4 | -42.5 | 0 | 0 | 0 | 111.5 | | |
| 464 | R | 40.1 | Very low | 45.7 | Very low | 241 Ų | 241 | 130.2 Ų | 130.2 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -72.4 | 124.1 | 149.5 | -81.9 | 177.2 | 172 | 122.2 | -1.3 | 107 | | |
| 465 | M | 45.4 | Very low | 45.9 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | | | trans | -172.4 | 150.2 | 146.7 | -78.8 | -139.7 | -148.7 | 0 | 0 | 109.7 | | |
| 466 | G | 44.1 | Very low | 45.6 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | 112.9 | 73.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 467 | Q | 41.7 | Very low | 45.8 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 121.8 | 144.8 | -74.9 | -170.3 | -30.8 | 0 | 0 | 107.8 | | |
| 468 | E | 49.7 | Very low | 46 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -156.2 | 123.2 | 154.5 | 9.4 | -138.7 | 136.1 | 0 | 0 | 112.3 | | |
| 469 | S | 40.7 | Very low | 46 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | -53.8 | 153.8 | 160.1 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 470 | L | 44.6 | Very low | 45.9 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | | 161.1 | 122.4 | 116.4 | -98.6 | 115.8 | 0 | 0 | 0 | 110.5 | | |
| 471 | F | 39.1 | Very low | 45.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | 51.2 | 118.3 | 139.5 | -74.2 | -101.3 | 0 | 0 | 0 | 121.6 | | |
| 472 | D | 44.4 | Very low | 45.5 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | | -179.6 | 149.8 | 127.3 | -103.2 | -15.7 | 0 | 0 | 0 | 106.5 | | |
| 473 | A | 49.2 | Very low | 45.1 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | cis | -175.5 | 152.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 103.4 | | |
| 474 | G | 47 | Very low | 45.2 | Very low | 69 Ų | 69 | 153.2 Ų | 153.2 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | 134.3 | 96.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 475 | S | 48.9 | Very low | 45.4 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | 66.8 | 92.6 | 140.7 | 65.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 476 | N | 42.5 | Very low | 45.6 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -79 | 123.7 | 146.5 | -81.2 | -31.8 | 0 | 0 | 0 | 109.5 | | |
| 477 | V | 49.7 | Very low | 45.6 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 70% | 0.697 | 81% | 0.814 | S | S | * | * | | | trans | -97.4 | 107.1 | 167.4 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | F479 | V477-F479 HydrophobicContact CG1-CD2 3.9Å; V477-F479 HydrophobicContact CG1-CE2 3.71Å |
| 478 | T | 48.1 | Very low | 45.6 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | -88.3 | 112.6 | 172.3 | 36.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 479 | F | 47 | Very low | 45.3 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -86.8 | 113.3 | 166.4 | -89.4 | -80.4 | 0 | 0 | 0 | 110.3 | V477 | V477-F479 HydrophobicContact CG1-CD2 3.9Å; V477-F479 HydrophobicContact CG1-CE2 3.71Å |
| 480 | G | 44 | Very low | 45.4 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | -68.9 | 132.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 481 | R | 41.9 | Very low | 45.5 | Very low | 253 Ų | 253 | 130.5 Ų | 130.5 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | | | trans | -78.7 | 112.6 | 160.5 | -72.9 | -175.5 | 176.5 | -160.9 | -0.5 | 108.9 | | |
| 482 | K | 49.2 | Very low | 45.5 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -90.1 | 106.7 | 162.9 | -80.5 | 177.8 | 176.8 | 172.4 | 0 | 108.8 | | |
| 483 | S | 42.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -62.5 | 128 | 158.6 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 484 | R | 49.6 | Very low | 45.5 | Very low | 239 Ų | 239 | 126.1 Ų | 126.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -135 | 110.3 | 156.3 | -157.1 | 178.1 | -75.3 | 169.7 | -4.8 | 109.3 | | |
| 485 | V | 44.1 | Very low | 45.2 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | | | trans | -59.5 | 136.5 | 162.8 | 170.1 | 0 | 0 | 0 | 0 | 109 | | |
| 486 | A | 49.2 | Very low | 45.3 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | 149.4 | 121.3 | 131.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 487 | G | 44.6 | Very low | 45.3 | Very low | 81 Ų | 81 | 134 Ų | 134 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | 92.2 | 108.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 488 | G | 42.4 | Very low | 45.3 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | | 107.3 | 104.6 | 126.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 489 | G | 42 | Very low | 45 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | | | | 99.6 | 104 | 120.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 490 | G | 43 | Very low | 45 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 92% | 0.918 | 82% | 0.824 | S | S | * | * | | | | 95.6 | 130 | 125.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 491 | G | 46.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | 130.4 | 71.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 492 | G | 40 | Very low | 45.4 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | -72.3 | 137.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 493 | F | 46.6 | Very low | 45.5 | Very low | 201 Ų | 201 | 133 Ų | 133 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | trans | -143.3 | 104.2 | 157.4 | -65.6 | -80.7 | 0 | 0 | 0 | 103.8 | | |
| 494 | G | 47.8 | Very low | 46.3 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | | 83.3 | 64.7 | 61.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | S496 | G494-S496 PolarHBondContact O-N 3.27Š|
| 495 | R | 39.4 | Very low | 46.7 | Very low | 261 Ų | 261 | 126.3 Ų | 126.3 | 99% | 0.985 | 80% | 0.799 | S | S | * | * | | | trans | -78 | 105.1 | 165.6 | -82.6 | -177.4 | 170.7 | -173.5 | -3.7 | 106.6 | | |
| 496 | S | 52.3 | Low | 47.2 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -118 | 127.7 | 163 | 47.8 | 0 | 0 | 0 | 0 | 108 | G494 | G494-S496 PolarHBondContact O-N 3.27Š|
| 497 | D | 41.5 | Very low | 47.3 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -54.3 | 129.6 | 173.4 | -52.4 | -66.8 | 0 | 0 | 0 | 110.7 | | |
| 498 | D | 49.1 | Very low | 47.6 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -135.3 | 81.8 | 162.5 | -83 | -37.6 | 0 | 0 | 0 | 109.2 | S500 | D498-S500 PolarHBondContact O-N 3.4Š|
| 499 | T | 41.8 | Very low | 48.1 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -62.5 | 101 | 148 | 50.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 500 | S | 47.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -127.4 | 119.8 | 167 | 93 | 0 | 0 | 0 | 0 | 111.4 | D498 | D498-S500 PolarHBondContact O-N 3.4Š|
| 501 | S | 47.8 | Very low | 49.4 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | -48.3 | 133.8 | 173.1 | 49.4 | 0 | 0 | 0 | 0 | 113 | R503 | S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.07Å |
| 502 | Y | 47 | Very low | 49.8 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | | | trans | -58.2 | 97.3 | 153.4 | -86 | -93 | 0 | 0 | 0 | 109.1 | | |
| 503 | R | 50.8 | Low | 50.4 | Low | 227 Ų | 227 | 155.6 Ų | 155.6 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -111.8 | 107.9 | 160.2 | -89 | -172.3 | 175.9 | -172.9 | -0.5 | 107.5 | S501 | S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.07Å |
| 504 | V | 60.5 | Low | 51.5 | Low | 105 Ų | 105 | 151.7 Ų | 151.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 120.4 | 165 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | Y506 | V504-Y506 HydrophobicContact CG1-CD2 3.89Å; V504-Y506 HydrophobicContact CG1-CE2 3.82Å; V504-Y506 PolarHBondContact O-N 3.09Å |
| 505 | P | 57.9 | Low | 51.9 | Low | 109 Ų | 109 | 157 Ų | 157 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -84 | 108.4 | 167.9 | 31.5 | -26.3 | 0 | 0 | 0 | 108.5 | N507 | P505-N507 PolarHBondContact O-N 3.4Š|
| 506 | Y | 52.9 | Low | 52.9 | Low | 208 Ų | 208 | 152.4 Ų | 152.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -84.2 | 103 | 158.3 | -83.7 | -82.5 | 0 | 0 | 0 | 107.4 | V504 | V504-Y506 HydrophobicContact CG1-CD2 3.89Å; V504-Y506 HydrophobicContact CG1-CE2 3.82Å; V504-Y506 PolarHBondContact O-N 3.09Å |
| 507 | N | 51.4 | Low | 53.6 | Low | 130 Ų | 130 | 153.3 Ų | 153.3 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | trans | -110.8 | 103.9 | 158.8 | -67.5 | -15.2 | 0 | 0 | 0 | 106.2 | P505 | P505-N507 PolarHBondContact O-N 3.4Š|
| 508 | L | 52.4 | Low | 54.3 | Low | 169 Ų | 169 | 153 Ų | 153 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | | | trans | -129.5 | 95.1 | 153.1 | -105.7 | 104.7 | 0 | 0 | 0 | 105.8 | | |
| 509 | D | 51.8 | Low | 54.9 | Low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -61.9 | 132.1 | 167.6 | -59.2 | -48.4 | 0 | 0 | 0 | 109 | | |
| 510 | E | 52.6 | Low | 55.8 | Low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 20.3 | 120.6 | 134.8 | -53.2 | -177.8 | 176.5 | 0 | 0 | 116.8 | | |
| 511 | E | 59.1 | Low | 56.3 | Low | 180 Ų | 180 | 163.9 Ų | 163.9 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | | | | 158.8 | 124.7 | 123.1 | -83 | 172.1 | -172.9 | 0 | 0 | 113.3 | | |
| 512 | S | 55.3 | Low | 56.7 | Low | 113 Ų | 113 | 167.6 Ų | 167.6 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | | | trans | 77.8 | 94.6 | 152.1 | 74.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 513 | F | 53.1 | Low | 57.2 | Low | 208 Ų | 208 | 163.8 Ų | 163.8 | 91% | 0.912 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136.7 | 150.2 | -79 | -93.1 | 0 | 0 | 0 | 110.2 | | |
| 514 | P | 69.2 | Low | 57.5 | Low | 119 Ų | 119 | 160.3 Ų | 160.3 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 119.9 | 151.7 | 31.2 | -25.3 | 0 | 0 | 0 | 110.6 | | |
| 515 | E | 57.1 | Low | 57.4 | Low | 188 Ų | 188 | 163.6 Ų | 163.6 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.1 | 169.4 | -61.8 | 176.4 | 160.4 | 0 | 0 | 111 | | |
| 516 | L | 60.2 | Low | 57.3 | Low | 164 Ų | 164 | 167 Ų | 167 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | | | trans | -130.4 | 143 | 160.2 | -77.3 | 179.5 | 0 | 0 | 0 | 110.9 | | |
| 517 | P | 67.2 | Low | 57.6 | Low | 117 Ų | 117 | 164.3 Ų | 164.3 | 76% | 0.76 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143.3 | -155.7 | 32.6 | -36.4 | 0 | 0 | 0 | 114.2 | S519 | P517-S519 PolarHBondContact O-N 3.01Š|
| 518 | T | 56.4 | Low | 58.1 | Low | 142 Ų | 142 | 166.7 Ų | 166.7 | 87% | 0.871 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 119.1 | 165.2 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 519 | S | 62 | Low | 58.5 | Low | 118 Ų | 118 | 166.5 Ų | 166.5 | 83% | 0.825 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 122.6 | 162 | 63.7 | 0 | 0 | 0 | 0 | 109.4 | P517 | P517-S519 PolarHBondContact O-N 3.01Š|
| 520 | R | 59.7 | Low | 59.1 | Low | 242 Ų | 242 | 168.8 Ų | 168.8 | 91% | 0.913 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.5 | 164.8 | -78.2 | 173.1 | 167.4 | 164.9 | -4.4 | 108.1 | | |
| 521 | H | 57 | Low | 59.7 | Low | 264 Ų | 264 | 168.6 Ų | 168.6 | 100% | 1.222 | 88% | 0.877 | S | S | * | * | | | trans | -121.7 | 0 | 145.7 | -110.4 | -48 | 0 | 0 | 0 | 108.8 | | |