| 1 | M | 46.8 | Very low | 53.6 | Low | 244 Ų | 244 | 150.9 Ų | 150.9 | 100% | 1.202 | 79% | 0.794 | S | S | * | * | | | | 0 | 117.4 | 0 | -75.5 | 169.2 | 158.2 | 0 | 0 | 107 | | |
| 2 | S | 45.9 | Very low | 53.3 | Low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -111.7 | 117.7 | -174.3 | -46.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 3 | T | 49.2 | Very low | 53.4 | Low | 118 Ų | 118 | 149.9 Ų | 149.9 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -79.7 | 119.7 | 176.7 | -43.4 | 0 | 0 | 0 | 0 | 109 | Y5 | T3-Y5 HydrophobicContact CG2-CE2 4.12Š|
| 4 | V | 60.3 | Low | 53.2 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -94.3 | 116 | 179.2 | -158.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 5 | Y | 52.1 | Low | 53.1 | Low | 202 Ų | 202 | 143 Ų | 143 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | -88.2 | 115.3 | 175 | -77 | -94.5 | 0 | 0 | 0 | 109.3 | T3 | T3-Y5 HydrophobicContact CG2-CE2 4.12Š|
| 6 | V | 54.5 | Low | 52.6 | Low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | -94.2 | 109.8 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | I8 | V6-I8 HydrophobicContact CG1-CG1 4.42Å; V6-I8 PolarHBondContact O-N 2.79Å |
| 7 | S | 54.9 | Low | 52.6 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -79.5 | 110.8 | 174.3 | -51.4 | 0 | 0 | 0 | 0 | 109 | | |
| 8 | I | 56.1 | Low | 52.2 | Low | 116 Ų | 116 | 146.9 Ų | 146.9 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | | | trans | -92.5 | 102.7 | 172.7 | -50.7 | 173.5 | 0 | 0 | 0 | 106.9 | V6 R10 | V6-I8 HydrophobicContact CG1-CG1 4.42Å; V6-I8 PolarHBondContact O-N 2.79Å; I8-R10 PolarHBondContact O-N 3.41Å |
| 9 | D | 52.3 | Low | 52.1 | Low | 110 Ų | 110 | 144.3 Ų | 144.3 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -71.4 | 115.1 | 170.2 | -158.3 | -27.7 | 0 | 0 | 0 | 108.5 | N11 D12 Q15 | D9-N11 PolarHBondContact O-N 3.4Å; D9-N11 PolarHBondContact OD1-N 2.94Å; D9-D12 HydrophobicContact CB-CB 4.29Å; D9-D12 PolarHBondContact O-N 3.23Å; D9-Q15 PolarHBondContact O-NE2 3.23Å |
| 10 | R | 62.3 | Low | 52.1 | Low | 240 Ų | 240 | 145.2 Ų | 145.2 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -16.9 | -176.7 | -67 | -173.4 | -171.7 | 173.4 | 2.9 | 112.5 | I8 D12 | I8-R10 PolarHBondContact O-N 3.41Å; R10-D12 VanDerWaalsContact C-N 3.34Å |
| 11 | N | 55.5 | Low | 51.8 | Low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -13.5 | 179.6 | -158.8 | 40.2 | 0 | 0 | 0 | 112.3 | D9 K13 | D9-N11 PolarHBondContact O-N 3.4Å; D9-N11 PolarHBondContact OD1-N 2.94Å; N11-K13 PolarHBondContact O-N 3.43Å |
| 12 | D | 49.5 | Very low | 52.1 | Low | 80 Ų | 80 | 136.1 Ų | 136.1 | 43% | 0.428 | 73% | 0.732 | S | S | . | * | | | trans | -81.8 | 100 | 177.9 | -165.7 | 5.4 | 0 | 0 | 0 | 110.2 | D9 R10 S14 | D9-D12 HydrophobicContact CB-CB 4.29Å; D9-D12 PolarHBondContact O-N 3.23Å; R10-D12 VanDerWaalsContact C-N 3.34Å; D12-S14 PolarHBondContact O-N 3.15Å; D12-S14 VanDerWaalsContact O-N 3.1Å; D12-S14 WeakPolarHBondContact OD1-CB 3.34Å; D12-S14 PolarHBondContact OD1-N 3.38Å; D12-S14 PolarHBondContact OD1-OG 3.42Å |
| 13 | K | 54.9 | Low | 52.4 | Low | 209 Ų | 209 | 136.3 Ų | 136.3 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -2.5 | 171.8 | -68.4 | -176.4 | -179.7 | 178.2 | 0 | 112.5 | N11 Q15 | N11-K13 PolarHBondContact O-N 3.43Å; K13-Q15 PolarHBondContact O-N 3.4Å; K13-Q15 VanDerWaalsContact O-N 3.13Å |
| 14 | S | 50.8 | Low | 52.4 | Low | 78 Ų | 78 | 139 Ų | 139 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | 13.9 | 177.7 | -43 | 0 | 0 | 0 | 0 | 114.3 | D12 H16 | D12-S14 PolarHBondContact O-N 3.15Å; D12-S14 VanDerWaalsContact O-N 3.1Å; D12-S14 WeakPolarHBondContact OD1-CB 3.34Å; D12-S14 PolarHBondContact OD1-N 3.38Å; D12-S14 PolarHBondContact OD1-OG 3.42Å; S14-H16 PolarHBondContact O-N 3.33Å |
| 15 | Q | 51.6 | Low | 52.1 | Low | 118 Ų | 118 | 137 Ų | 137 | 55% | 0.551 | 73% | 0.727 | S | S | * | * | | | trans | -72.3 | 70.8 | 172.4 | -63.5 | -166.7 | 42.1 | 0 | 0 | 110.1 | D9 K13 A17 | D9-Q15 PolarHBondContact O-NE2 3.23Å; K13-Q15 PolarHBondContact O-N 3.4Å; K13-Q15 VanDerWaalsContact O-N 3.13Å; Q15-A17 PolarHBondContact O-N 2.87Å |
| 16 | H | 44.7 | Very low | 51.8 | Low | 175 Ų | 175 | 133.9 Ų | 133.9 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -54.8 | 92 | 141.7 | -71.1 | -70.3 | 0 | 0 | 0 | 105.5 | S14 R18 | S14-H16 PolarHBondContact O-N 3.33Å; H16-R18 PolarHBondContact O-N 2.87Å |
| 17 | A | 52.4 | Low | 51.6 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | | | trans | -52.5 | 93.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q15 A19 | Q15-A17 PolarHBondContact O-N 2.87Å; A17-A19 PolarHBondContact O-N 3.18Å |
| 18 | R | 45.6 | Very low | 51.6 | Low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | | | trans | -61.3 | 110.7 | 169 | -94.2 | -179.1 | 155.6 | -169.6 | -5.8 | 104.5 | H16 I20 | H16-R18 PolarHBondContact O-N 2.87Å; R18-I20 PolarHBondContact O-N 3.4Å |
| 19 | A | 50.3 | Low | 51.4 | Low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | | | trans | -46.6 | 105.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | A17 S21 | A17-A19 PolarHBondContact O-N 3.18Å; A19-S21 VanDerWaalsContact C-N 3.33Å; A19-S21 PolarHBondContact O-N 2.96Å |
| 20 | I | 51.4 | Low | 51.5 | Low | 162 Ų | 162 | 136.9 Ų | 136.9 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | | | trans | -65.8 | 107.4 | 168.4 | -55.1 | 173.6 | 0 | 0 | 0 | 102.6 | R18 | R18-I20 PolarHBondContact O-N 3.4Š|
| 21 | S | 46.4 | Very low | 51.1 | Low | 80 Ų | 80 | 129.6 Ų | 129.6 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | | | trans | -49.6 | 127.4 | 180 | 59.7 | 0 | 0 | 0 | 0 | 107.7 | A19 T23 | A19-S21 VanDerWaalsContact C-N 3.33Å; A19-S21 PolarHBondContact O-N 2.96Å; S21-T23 VanDerWaalsContact C-N 3.28Å; S21-T23 PolarHBondContact O-N 3.1Å |
| 22 | P | 53.1 | Low | 51.2 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | -63.9 | 97.4 | 175.3 | 25.6 | -31.6 | 0 | 0 | 0 | 107.2 | F24 | P22-F24 PolarHBondContact O-N 3.1Š|
| 23 | T | 51.4 | Low | 51.6 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -62.9 | 106.2 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 106.5 | S21 A25 | S21-T23 VanDerWaalsContact C-N 3.28Å; S21-T23 PolarHBondContact O-N 3.1Å; T23-A25 PolarHBondContact O-N 2.95Å |
| 24 | F | 49.7 | Very low | 51.7 | Low | 173 Ų | 173 | 134 Ų | 134 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | trans | -43.1 | 103.7 | 170.5 | -106.3 | -122.2 | 0 | 0 | 0 | 110.1 | P22 H26 | P22-F24 PolarHBondContact O-N 3.1Å; F24-H26 AromaticContact CD1-CD2 3.2Å; F24-H26 WeakPolarHBondContact CD1-CD2 3.16Å; F24-H26 AromaticContact CD1-NE2 3.44Å; F24-H26 WeakPolarHBondContact CD1-NE2 3.5Å; F24-H26 AromaticContact CD2-NE2 4Å; F24-H26 AromaticContact CE1-CD2 3.36Å; F24-H26 WeakPolarHBondContact CE1-CD2 3.46Å; F24-H26 AromaticContact CE1-NE2 3.32Å; F24-H26 VanDerWaalsContact CE1-NE2 3.32Å; F24-H26 WeakPolarHBondContact CE1-NE2 3.35Å; F24-H26 AromaticContact CE2-NE2 3.91Å; F24-H26 AromaticContact CG-CD2 3.81Å; F24-H26 AromaticContact CG-NE2 3.76Å; F24-H26 AromaticContact CZ-NE2 3.56Å |
| 25 | A | 53.5 | Low | 52.3 | Low | 84 Ų | 84 | 141.5 Ų | 141.5 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | | | trans | -125.9 | 68.9 | 165 | 0 | 0 | 0 | 0 | 0 | 107.7 | T23 D27 | T23-A25 PolarHBondContact O-N 2.95Å; A25-D27 PolarHBondContact O-N 2.76Å |
| 26 | H | 46.9 | Very low | 52.7 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | | | trans | -84.7 | 93.2 | 165.7 | -54.8 | -65.1 | 0 | 0 | 0 | 107.4 | F24 | F24-H26 AromaticContact CD1-CD2 3.2Å; F24-H26 WeakPolarHBondContact CD1-CD2 3.16Å; F24-H26 AromaticContact CD1-NE2 3.44Å; F24-H26 WeakPolarHBondContact CD1-NE2 3.5Å; F24-H26 AromaticContact CD2-NE2 4Å; F24-H26 AromaticContact CE1-CD2 3.36Å; F24-H26 WeakPolarHBondContact CE1-CD2 3.46Å; F24-H26 AromaticContact CE1-NE2 3.32Å; F24-H26 VanDerWaalsContact CE1-NE2 3.32Å; F24-H26 WeakPolarHBondContact CE1-NE2 3.35Å; F24-H26 AromaticContact CE2-NE2 3.91Å; F24-H26 AromaticContact CG-CD2 3.81Å; F24-H26 AromaticContact CG-NE2 3.76Å; F24-H26 AromaticContact CZ-NE2 3.56Å |
| 27 | D | 50.6 | Low | 53.3 | Low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | | | trans | -165.8 | 22.2 | 154 | -108 | -6.7 | 0 | 0 | 0 | 112.9 | A25 T29 | A25-D27 PolarHBondContact O-N 2.76Å; D27-T29 PolarHBondContact O-N 3.06Å; D27-T29 VanDerWaalsContact O-N 3.15Å |
| 28 | L | 55.2 | Low | 53.8 | Low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -88.4 | 67.5 | 167.8 | -66.5 | 173.6 | 0 | 0 | 0 | 108.9 | L30 | L28-L30 PolarHBondContact O-N 3.36Š|
| 29 | T | 50.9 | Low | 54.3 | Low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | | | trans | -65.8 | 86.1 | 157.9 | -48.8 | 0 | 0 | 0 | 0 | 107 | D27 P31 | D27-T29 PolarHBondContact O-N 3.06Å; D27-T29 VanDerWaalsContact O-N 3.15Å; T29-P31 VanDerWaalsContact O-CD 3.24Å; T29-P31 WeakPolarHBondContact O-CD 3.11Å |
| 30 | L | 55.6 | Low | 54.8 | Low | 102 Ų | 102 | 135.6 Ų | 135.6 | 53% | 0.534 | 72% | 0.722 | S | S | . | * | | | trans | -60.7 | 114 | 173.8 | -71.8 | 167.1 | 0 | 0 | 0 | 108.1 | L28 F32 | L28-L30 PolarHBondContact O-N 3.36Å; L30-F32 HydrophobicContact CB-CD2 4.09Å; L30-F32 HydrophobicContact CD2-CD2 4.21Å; L30-F32 HydrophobicContact CD2-CE2 4.11Å; L30-F32 PolarHBondContact O-N 2.71Å |
| 31 | P | 52.7 | Low | 55.3 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -71 | 6.6 | -175.1 | 28.4 | -34.1 | 0 | 0 | 0 | 113.8 | T29 F33 Q34 | T29-P31 VanDerWaalsContact O-CD 3.24Å; T29-P31 WeakPolarHBondContact O-CD 3.11Å; P31-F33 PolarHBondContact O-N 2.73Å; P31-Q34 PolarHBondContact O-N 2.73Å |
| 32 | F | 58.5 | Low | 56 | Low | 171 Ų | 171 | 136.4 Ų | 136.4 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76.5 | -1.8 | -172.8 | -57.9 | -67.2 | 0 | 0 | 0 | 114.9 | L30 | L30-F32 HydrophobicContact CB-CD2 4.09Å; L30-F32 HydrophobicContact CD2-CD2 4.21Å; L30-F32 HydrophobicContact CD2-CE2 4.11Å; L30-F32 PolarHBondContact O-N 2.71Å |
| 33 | F | 57.2 | Low | 56.3 | Low | 193 Ų | 193 | 136.3 Ų | 136.3 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -96.3 | 16 | 171.3 | -68.1 | -72.3 | 0 | 0 | 0 | 114.2 | P31 R35 | P31-F33 PolarHBondContact O-N 2.73Å; F33-R35 PolarHBondContact O-N 3Å |
| 34 | Q | 57.4 | Low | 56.5 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | | | trans | -67.1 | 88.2 | 158.4 | -68.5 | -169.1 | -3.8 | 0 | 0 | 107.5 | P31 P36 | P31-Q34 PolarHBondContact O-N 2.73Å; Q34-P36 WeakPolarHBondContact O-CD 3.49Å |
| 35 | R | 62.2 | Low | 56.7 | Low | 235 Ų | 235 | 132.1 Ų | 132.1 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | | | trans | -52.2 | 112 | 161 | -89.4 | -176.9 | 170.2 | 177.3 | -2.1 | 105.1 | F33 S37 | F33-R35 PolarHBondContact O-N 3Å; R35-S37 PolarHBondContact O-N 2.95Å |
| 36 | P | 60.1 | Low | 57 | Low | 103 Ų | 103 | 132.4 Ų | 132.4 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | trans | -56.5 | 118.7 | 171.3 | 22.7 | -30.1 | 0 | 0 | 0 | 105.7 | Q34 L38 | Q34-P36 WeakPolarHBondContact O-CD 3.49Å; P36-L38 PolarHBondContact O-N 2.94Å |
| 37 | S | 58.1 | Low | 57.6 | Low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | | | trans | -67.5 | 88.8 | 165.5 | -176.4 | 0 | 0 | 0 | 0 | 104.5 | R35 K39 | R35-S37 PolarHBondContact O-N 2.95Å; S37-K39 PolarHBondContact O-N 2.83Å |
| 38 | L | 62 | Low | 57.6 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | | | trans | -66.8 | 81.4 | 166.8 | -67.3 | 172.6 | 0 | 0 | 0 | 105.3 | P36 A40 | P36-L38 PolarHBondContact O-N 2.94Å; L38-A40 PolarHBondContact O-N 2.9Å |
| 39 | K | 57.1 | Low | 57.7 | Low | 173 Ų | 173 | 132.7 Ų | 132.7 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | | | trans | -64.5 | 78.1 | 150 | -67 | -175.6 | -178.5 | -178.7 | 0 | 104.7 | S37 D41 | S37-K39 PolarHBondContact O-N 2.83Å; K39-D41 PolarHBondContact O-N 2.71Å |
| 40 | A | 60.7 | Low | 57.8 | Low | 64 Ų | 64 | 133.6 Ų | 133.6 | 53% | 0.529 | 68% | 0.68 | S | S | . | * | | | trans | -64.8 | 97 | 160.6 | 0 | 0 | 0 | 0 | 0 | 103.8 | L38 L42 | L38-A40 PolarHBondContact O-N 2.9Å; A40-L42 HydrophobicContact CB-CG 4.18Å; A40-L42 PolarHBondContact O-N 2.76Å |
| 41 | D | 63 | Low | 57.7 | Low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | | | trans | -62 | 80.7 | 161 | -71.8 | -27.2 | 0 | 0 | 0 | 105.1 | K39 P43 | K39-D41 PolarHBondContact O-N 2.71Å; D41-P43 WeakPolarHBondContact O-CD 3.24Å; D41-P43 VanDerWaalsContact O-N 3.12Å |
| 42 | L | 59.3 | Low | 57.7 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 59% | 0.586 | 69% | 0.689 | S | S | * | * | | | trans | -63 | 116 | 175.9 | -73.7 | 142.4 | 0 | 0 | 0 | 104.7 | A40 F44 | A40-L42 HydrophobicContact CB-CG 4.18Å; A40-L42 PolarHBondContact O-N 2.76Å; L42-F44 HydrophobicContact CB-CD2 3.51Å; L42-F44 HydrophobicContact CB-CE2 3.59Å; L42-F44 HydrophobicContact CB-CG 4.37Å; L42-F44 HydrophobicContact CB-CZ 4.48Å; L42-F44 HydrophobicContact CD1-CD2 4.48Å; L42-F44 HydrophobicContact CD1-CE2 4Å; L42-F44 HydrophobicContact CD2-CD2 4.37Å; L42-F44 HydrophobicContact CD2-CE2 3.57Å; L42-F44 HydrophobicContact CD2-CZ 3.89Å; L42-F44 HydrophobicContact CG-CD2 4.31Å; L42-F44 HydrophobicContact CG-CE2 3.9Å; L42-F44 PolarHBondContact O-N 2.8Å |
| 43 | P | 61.1 | Low | 57.6 | Low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | trans | -76.9 | 54.7 | 176.1 | 35.5 | -35.5 | 0 | 0 | 0 | 108.3 | D41 S45 | D41-P43 WeakPolarHBondContact O-CD 3.24Å; D41-P43 VanDerWaalsContact O-N 3.12Å; P43-S45 PolarHBondContact O-N 2.94Å |
| 44 | F | 54.2 | Low | 57.5 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | | | trans | -74.3 | 78.6 | 159.2 | -61.2 | -56.1 | 0 | 0 | 0 | 105.6 | L42 S46 | L42-F44 HydrophobicContact CB-CD2 3.51Å; L42-F44 HydrophobicContact CB-CE2 3.59Å; L42-F44 HydrophobicContact CB-CG 4.37Å; L42-F44 HydrophobicContact CB-CZ 4.48Å; L42-F44 HydrophobicContact CD1-CD2 4.48Å; L42-F44 HydrophobicContact CD1-CE2 4Å; L42-F44 HydrophobicContact CD2-CD2 4.37Å; L42-F44 HydrophobicContact CD2-CE2 3.57Å; L42-F44 HydrophobicContact CD2-CZ 3.89Å; L42-F44 HydrophobicContact CG-CD2 4.31Å; L42-F44 HydrophobicContact CG-CE2 3.9Å; L42-F44 PolarHBondContact O-N 2.8Å; F44-S46 PolarHBondContact O-N 2.76Å; F44-S46 VanDerWaalsContact O-N 3.1Å |
| 45 | S | 54.3 | Low | 57.3 | Low | 67 Ų | 67 | 127.4 Ų | 127.4 | 47% | 0.469 | 66% | 0.664 | S | S | . | * | | | trans | -47.7 | 122.2 | 160.6 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | P43 D47 Q48 | P43-S45 PolarHBondContact O-N 2.94Å; S45-D47 PolarHBondContact O-N 3.23Å; S45-Q48 PolarHBondContact O-N 3.34Å |
| 46 | S | 59.3 | Low | 56.9 | Low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -46 | -28.2 | -177.6 | -41.2 | 0 | 0 | 0 | 0 | 112.3 | F44 Q48 | F44-S46 PolarHBondContact O-N 2.76Å; F44-S46 VanDerWaalsContact O-N 3.1Å; S46-Q48 VanDerWaalsContact C-N 3.34Å; S46-Q48 PolarHBondContact O-N 3.2Å |
| 47 | D | 59.2 | Low | 56.7 | Low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -71.6 | -18.1 | -178 | -67.9 | -20.3 | 0 | 0 | 0 | 114.8 | S45 R49 | S45-D47 PolarHBondContact O-N 3.23Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.88Å |
| 48 | Q | 51.9 | Low | 56.6 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -77.4 | -13 | 179.6 | -73.4 | -167.5 | -7.1 | 0 | 0 | 114.2 | S45 S46 H50 | S45-Q48 PolarHBondContact O-N 3.34Å; S46-Q48 VanDerWaalsContact C-N 3.34Å; S46-Q48 PolarHBondContact O-N 3.2Å; Q48-H50 PolarHBondContact O-N 2.79Å |
| 49 | R | 56.3 | Low | 56.2 | Low | 197 Ų | 197 | 125.8 Ų | 125.8 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -67.1 | -18.4 | -179.5 | -64.9 | -173.3 | -171.4 | -164.4 | 3.7 | 113.2 | D47 | D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.88Å |
| 50 | H | 54.2 | Low | 56.3 | Low | 143 Ų | 143 | 128.1 Ų | 128.1 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -84.7 | -22.3 | -174.6 | -63.2 | -73.4 | 0 | 0 | 0 | 114 | Q48 | Q48-H50 PolarHBondContact O-N 2.79Š|
| 51 | L | 52.7 | Low | 56.2 | Low | 128 Ų | 128 | 130.6 Ų | 130.6 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -38.6 | -178.2 | -71.1 | 166.7 | 0 | 0 | 0 | 112.4 | R53 S54 | L51-R53 PolarHBondContact O-N 2.93Å; L51-R53 VanDerWaalsContact O-N 3.15Å; L51-S54 PolarHBondContact O-N 3.11Å; L51-S54 PolarHBondContact O-OG 3.09Å |
| 52 | A | 53.3 | Low | 55.9 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -21.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 53 | R | 56.2 | Low | 56 | Low | 211 Ų | 211 | 126.1 Ų | 126.1 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -22.6 | 179.2 | -83.4 | -174.6 | 166.4 | 171.8 | -3.3 | 113.7 | L51 | L51-R53 PolarHBondContact O-N 2.93Å; L51-R53 VanDerWaalsContact O-N 3.15Å |
| 54 | S | 55 | Low | 56.1 | Low | 66 Ų | 66 | 126.8 Ų | 126.8 | 46% | 0.462 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -36 | -172.5 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | L51 L56 L57 | L51-S54 PolarHBondContact O-N 3.11Å; L51-S54 PolarHBondContact O-OG 3.09Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.88Å; S54-L57 PolarHBondContact O-N 2.93Å |
| 55 | D | 53.5 | Low | 56.5 | Low | 110 Ų | 110 | 127.6 Ų | 127.6 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -74.7 | -23.4 | -178 | -77.6 | -21.3 | 0 | 0 | 0 | 113.5 | L57 Q58 | D55-L57 PolarHBondContact O-N 2.64Å; D55-Q58 PolarHBondContact O-N 3.04Å |
| 56 | L | 53.1 | Low | 56.5 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 61% | 0.613 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -69.4 | -20.8 | 176.8 | -77.3 | 171.9 | 0 | 0 | 0 | 113.3 | S54 Q58 L59 | S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.88Å; L56-Q58 PolarHBondContact O-N 3.45Å; L56-L59 HydrophobicContact CD2-CD1 3.78Å; L56-L59 PolarHBondContact O-N 3.08Å |
| 57 | L | 57.1 | Low | 56.5 | Low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -75 | -13.6 | 176.2 | -71.6 | 171.8 | 0 | 0 | 0 | 113 | S54 D55 | S54-L57 PolarHBondContact O-N 2.93Å; D55-L57 PolarHBondContact O-N 2.64Å |
| 58 | Q | 56.1 | Low | 56.5 | Low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -87.8 | -5.4 | 176 | -60.8 | -168.6 | 46.5 | 0 | 0 | 113.3 | D55 L56 R60 | D55-Q58 PolarHBondContact O-N 3.04Å; L56-Q58 PolarHBondContact O-N 3.45Å; Q58-R60 PolarHBondContact O-N 2.84Å |
| 59 | L | 53.8 | Low | 56.7 | Low | 131 Ų | 131 | 136.5 Ų | 136.5 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | | | trans | -74.6 | 77.4 | 170.2 | -64.1 | -179 | 0 | 0 | 0 | 108.8 | L56 | L56-L59 HydrophobicContact CD2-CD1 3.78Å; L56-L59 PolarHBondContact O-N 3.08Å |
| 60 | R | 57.9 | Low | 56.8 | Low | 221 Ų | 221 | 137.8 Ų | 137.8 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 129 | 167.7 | -155.6 | 178.7 | -161.8 | 167 | 4.5 | 107.2 | Q58 V62 | Q58-R60 PolarHBondContact O-N 2.84Å; R60-V62 PolarHBondContact O-N 3.15Å |
| 61 | P | 58.8 | Low | 56.9 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -50 | 116.3 | 179.7 | -25.5 | 32.3 | 0 | 0 | 0 | 108.9 | P63 | P61-P63 WeakPolarHBondContact O-CD 3.5Å; P61-P63 VanDerWaalsContact O-N 3.17Å |
| 62 | V | 57.8 | Low | 57 | Low | 89 Ų | 89 | 135.5 Ų | 135.5 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 121.1 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 106 | R60 E64 K66 | R60-V62 PolarHBondContact O-N 3.15Å; V62-E64 PolarHBondContact O-N 3.01Å; V62-K66 HydrophobicContact CG1-CB 4.06Å |
| 63 | P | 60.5 | Low | 56.8 | Low | 75 Ų | 75 | 136.9 Ų | 136.9 | 49% | 0.487 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 135.5 | 179.7 | 17.7 | -28.7 | 0 | 0 | 0 | 109.5 | P61 D65 K66 | P61-P63 WeakPolarHBondContact O-CD 3.5Å; P61-P63 VanDerWaalsContact O-N 3.17Å; P63-D65 PolarHBondContact O-N 3.09Å; P63-K66 HydrophobicContact CG-CD 4.35Å; P63-K66 HydrophobicContact CG-CG 4.41Å; P63-K66 PolarHBondContact O-N 2.94Å |
| 64 | E | 62.9 | Low | 56.5 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -54 | -33.2 | -170.9 | -57.4 | -134.4 | 141.8 | 0 | 0 | 112.3 | V62 K66 R67 | V62-E64 PolarHBondContact O-N 3.01Å; E64-K66 PolarHBondContact O-N 3.2Å; E64-K66 VanDerWaalsContact O-N 3.1Å; E64-R67 VanDerWaalsContact CD-NH1 3.26Å; E64-R67 WeakPolarHBondContact O-CB 3.17Å; E64-R67 WeakPolarHBondContact O-CG 3.32Å; E64-R67 PolarHBondContact O-N 2.94Å; E64-R67 IonicContact OE1-CZ 3.05Å; E64-R67 IonicContact OE1-NH1 2.73Å; E64-R67 PolarHBondContact OE1-NH1 3.47Å; E64-R67 IonicContact OE1-NH2 2.71Å; E64-R67 PolarHBondContact OE1-NH2 3.08Å; E64-R67 IonicContact OE2-NH1 3.79Å |
| 65 | D | 63 | Low | 56.3 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -61.7 | -19 | 179.5 | -50.9 | -25.5 | 0 | 0 | 0 | 114 | P63 | P63-D65 PolarHBondContact O-N 3.09Š|
| 66 | K | 54.5 | Low | 56 | Low | 166 Ų | 166 | 141.6 Ų | 141.6 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -99.9 | -1.2 | 176.4 | -65.3 | -168 | -179.8 | -173.6 | 0 | 113.3 | V62 P63 E64 P68 | V62-K66 HydrophobicContact CG1-CB 4.06Å; P63-K66 HydrophobicContact CG-CD 4.35Å; P63-K66 HydrophobicContact CG-CG 4.41Å; P63-K66 PolarHBondContact O-N 2.94Å; E64-K66 PolarHBondContact O-N 3.2Å; E64-K66 VanDerWaalsContact O-N 3.1Å; K66-P68 WeakPolarHBondContact O-CD 3.44Å |
| 67 | R | 58.8 | Low | 55.6 | Low | 135 Ų | 135 | 145.6 Ų | 145.6 | 51% | 0.509 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -69.3 | 124.5 | 171.4 | -62.8 | -179.3 | -166.5 | 159.9 | 8.3 | 106.3 | E64 M69 | E64-R67 VanDerWaalsContact CD-NH1 3.26Å; E64-R67 WeakPolarHBondContact O-CB 3.17Å; E64-R67 WeakPolarHBondContact O-CG 3.32Å; E64-R67 PolarHBondContact O-N 2.94Å; E64-R67 IonicContact OE1-CZ 3.05Å; E64-R67 IonicContact OE1-NH1 2.73Å; E64-R67 PolarHBondContact OE1-NH1 3.47Å; E64-R67 IonicContact OE1-NH2 2.71Å; E64-R67 PolarHBondContact OE1-NH2 3.08Å; E64-R67 IonicContact OE2-NH1 3.79Å; R67-M69 PolarHBondContact O-N 3.39Å |
| 68 | P | 59.8 | Low | 55.2 | Low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | | | trans | -53.9 | 121.9 | 167.6 | 23.3 | -30.8 | 0 | 0 | 0 | 106.3 | K66 R70 | K66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-R70 PolarHBondContact O-N 2.94Å |
| 69 | M | 55.4 | Low | 54.6 | Low | 174 Ų | 174 | 138.5 Ų | 138.5 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | | | trans | -51.9 | 98.9 | 172.6 | -95.8 | -179.7 | 82.3 | 0 | 0 | 106.3 | R67 N71 | R67-M69 PolarHBondContact O-N 3.39Å; M69-N71 VanDerWaalsContact C-N 3.25Å; M69-N71 PolarHBondContact O-N 3.01Å |
| 70 | R | 59.4 | Low | 54.3 | Low | 225 Ų | 225 | 141 Ų | 141 | 85% | 0.849 | 72% | 0.724 | S | S | * | * | | | trans | -73 | 95.5 | 175.9 | -167.6 | 175.8 | 88.6 | 175.6 | 6.7 | 103.6 | P68 A72 | P68-R70 PolarHBondContact O-N 2.94Å; R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 2.77Å |
| 71 | N | 55.6 | Low | 53.9 | Low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | | | trans | -51.9 | 101 | 168.5 | -71.7 | -18.7 | 0 | 0 | 0 | 106.2 | M69 S73 | M69-N71 VanDerWaalsContact C-N 3.25Å; M69-N71 PolarHBondContact O-N 3.01Å; N71-S73 PolarHBondContact O-N 3.32Å |
| 72 | A | 55.4 | Low | 53.5 | Low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | trans | -77 | 5.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R70 | R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 2.77Å |
| 73 | S | 49.2 | Very low | 53.1 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -109.3 | 130.9 | -178.9 | -57.2 | 0 | 0 | 0 | 0 | 109 | N71 | N71-S73 PolarHBondContact O-N 3.32Š|
| 74 | S | 48.2 | Very low | 52.5 | Low | 70 Ų | 70 | 150.4 Ų | 150.4 | 49% | 0.49 | 75% | 0.751 | S | S | . | * | | | trans | 83.6 | 64.4 | 171.6 | -123.5 | 0 | 0 | 0 | 0 | 115.5 | H76 | S74-H76 VanDerWaalsContact CB-CD2 3.49Å; S74-H76 WeakPolarHBondContact CB-CD2 3.2Å; S74-H76 PolarHBondContact O-N 3.43Å; S74-H76 WeakPolarHBondContact OG-CA 3.36Å; S74-H76 PolarHBondContact OG-CD2 3.42Å; S74-H76 PolarHBondContact OG-CE1 2.72Å; S74-H76 PolarHBondContact OG-N 2.98Å; S74-H76 PolarHBondContact OG-ND1 2.96Å; S74-H76 VanDerWaalsContact OG-ND1 3.11Å; S74-H76 PolarHBondContact OG-NE2 3.42Å |
| 75 | W | 51 | Low | 51.9 | Low | 260 Ų | 260 | 147 Ų | 147 | 99% | 0.985 | 75% | 0.75 | S | S | * | * | | | | -58.6 | 82.8 | 119 | -76 | 83.2 | 0 | 0 | 0 | 105 | E77 | W75-E77 PolarHBondContact O-N 3.27Š|
| 76 | H | 47 | Very low | 51 | Low | 157 Ų | 157 | 145.3 Ų | 145.3 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -49.4 | 124.4 | 169.8 | -92.3 | -71.3 | 0 | 0 | 0 | 104.2 | S74 G78 | S74-H76 VanDerWaalsContact CB-CD2 3.49Å; S74-H76 WeakPolarHBondContact CB-CD2 3.2Å; S74-H76 PolarHBondContact O-N 3.43Å; S74-H76 WeakPolarHBondContact OG-CA 3.36Å; S74-H76 PolarHBondContact OG-CD2 3.42Å; S74-H76 PolarHBondContact OG-CE1 2.72Å; S74-H76 PolarHBondContact OG-N 2.98Å; S74-H76 PolarHBondContact OG-ND1 2.96Å; S74-H76 VanDerWaalsContact OG-ND1 3.11Å; S74-H76 PolarHBondContact OG-NE2 3.42Å; H76-G78 PolarHBondContact O-N 2.84Å |
| 77 | E | 46.3 | Very low | 50.8 | Low | 200 Ų | 200 | 141.1 Ų | 141.1 | 94% | 0.935 | 73% | 0.727 | S | S | * | * | | | trans | -54.5 | 68 | 150.1 | -69.1 | 176.3 | 141.1 | 0 | 0 | 107.1 | W75 N79 | W75-E77 PolarHBondContact O-N 3.27Å; E77-N79 PolarHBondContact O-N 3.36Å; E77-N79 VanDerWaalsContact O-N 3.08Å |
| 78 | G | 46.8 | Very low | 50.5 | Low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | trans | -84.6 | 78.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | H76 | H76-G78 PolarHBondContact O-N 2.84Š|
| 79 | N | 44.2 | Very low | 49.8 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 51% | 0.508 | 74% | 0.736 | S | S | . | * | | | trans | 55.1 | 84 | 147.5 | -121 | 7.8 | 0 | 0 | 0 | 114.9 | E77 E81 | E77-N79 PolarHBondContact O-N 3.36Å; E77-N79 VanDerWaalsContact O-N 3.08Å; N79-E81 PolarHBondContact O-N 2.82Å |
| 80 | L | 48 | Very low | 49.3 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 96% | 0.963 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -57.6 | -2.7 | 163.7 | -119.5 | 120.6 | 0 | 0 | 0 | 113.4 | | |
| 81 | E | 49.8 | Very low | 48.9 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -83.8 | -5.2 | -177.3 | -62.3 | -167 | 157.3 | 0 | 0 | 115.4 | N79 | N79-E81 PolarHBondContact O-N 2.82Š|
| 82 | Q | 49.5 | Very low | 48.4 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -109.5 | 7.2 | -172.5 | -68.8 | -163.8 | 26.1 | 0 | 0 | 117.4 | | |
| 83 | R | 48.9 | Very low | 48.3 | Very low | 215 Ų | 215 | 139.1 Ų | 139.1 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | | | trans | -97.9 | 34.8 | 172.5 | -70.3 | -162.3 | 178.5 | -169.8 | 1.9 | 114.4 | G85 | R83-G85 PolarHBondContact O-N 3.22Š|
| 84 | N | 49.9 | Very low | 48.4 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -80.9 | 36.5 | 161.7 | -88.2 | -24.3 | 0 | 0 | 0 | 112.8 | | |
| 85 | G | 48.8 | Very low | 48.8 | Very low | 58 Ų | 58 | 144.3 Ų | 144.3 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | | | trans | -158.1 | 34.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R83 P87 | R83-G85 PolarHBondContact O-N 3.22Å; G85-P87 WeakPolarHBondContact O-CD 3.04Å |
| 86 | Q | 45.3 | Very low | 48.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | | | trans | -104.5 | 90.1 | 171.5 | -85.4 | -95.6 | -57.3 | 0 | 0 | 109 | W88 | Q86-W88 PolarHBondContact O-N 3.42Å; Q86-W88 VanDerWaalsContact O-N 3.09Å |
| 87 | P | 50.7 | Low | 48.6 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 51% | 0.513 | 76% | 0.757 | S | S | . | * | | | trans | -85.2 | 36.6 | -173.6 | 38.6 | -37.7 | 0 | 0 | 0 | 112 | G85 H89 E90 | G85-P87 WeakPolarHBondContact O-CD 3.04Å; P87-H89 PolarHBondContact O-N 3.19Å; P87-E90 HydrophobicContact CB-CG 4.16Å; P87-E90 PolarHBondContact O-N 3.46Å |
| 88 | W | 50.7 | Low | 48.6 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -2.2 | 169.5 | 47.8 | -85 | 0 | 0 | 0 | 112.4 | Q86 | Q86-W88 PolarHBondContact O-N 3.42Å; Q86-W88 VanDerWaalsContact O-N 3.09Å |
| 89 | H | 45 | Very low | 48.9 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -3.7 | 165 | -91.8 | -137.2 | 0 | 0 | 0 | 115.3 | P87 | P87-H89 PolarHBondContact O-N 3.19Š|
| 90 | E | 46.9 | Very low | 48.9 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -93.1 | -7 | -175.6 | -74.1 | -169.9 | 167.2 | 0 | 0 | 115.9 | P87 G92 M93 | P87-E90 HydrophobicContact CB-CG 4.16Å; P87-E90 PolarHBondContact O-N 3.46Å; E90-G92 PolarHBondContact O-N 3.13Å; E90-G92 VanDerWaalsContact O-N 3.08Å; E90-M93 PolarHBondContact O-N 2.51Å |
| 91 | A | 49.3 | Very low | 49 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -66.5 | -12.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 92 | G | 45.7 | Very low | 48.8 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -94.3 | -16 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E90 | E90-G92 PolarHBondContact O-N 3.13Å; E90-G92 VanDerWaalsContact O-N 3.08Å |
| 93 | M | 54.3 | Low | 48.7 | Very low | 172 Ų | 172 | 144 Ų | 144 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -6.9 | -164.3 | -70.8 | -70.4 | 170.9 | 0 | 0 | 115.8 | E90 K95 | E90-M93 PolarHBondContact O-N 2.51Å; M93-K95 PolarHBondContact O-N 2.72Å |
| 94 | A | 51 | Low | 48.3 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -88.6 | 13.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 95 | K | 55.9 | Low | 47.9 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -128.4 | 76 | -176 | -66.7 | -175.4 | -176.7 | 177.9 | 0 | 113.5 | M93 | M93-K95 PolarHBondContact O-N 2.72Š|
| 96 | M | 47.5 | Very low | 47.9 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 96% | 0.956 | 78% | 0.78 | S | S | * | * | | | trans | -162.8 | 93.8 | 140.8 | -107.7 | 170.9 | -115.8 | 0 | 0 | 110 | | |
| 97 | R | 46.7 | Very low | 47.9 | Very low | 244 Ų | 244 | 147.7 Ų | 147.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -69.1 | 130.8 | 175.2 | -67 | 179 | -179.7 | -178.5 | 0.8 | 110.1 | A99 | R97-A99 PolarHBondContact O-N 3Š|
| 98 | K | 45.7 | Very low | 47.9 | Very low | 206 Ų | 206 | 152 Ų | 152 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | 2.2 | 105.4 | 153.7 | -105.1 | 171.4 | 172 | 176 | 0 | 115.7 | | |
| 99 | A | 54.2 | Low | 47.8 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | -81 | 124.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | R97 | R97-A99 PolarHBondContact O-N 3Š|
| 100 | V | 44.1 | Very low | 47.9 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | | | trans | -61.9 | 128.6 | -174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S102 | V100-S102 PolarHBondContact O-N 3.1Š|
| 101 | T | 48.2 | Very low | 48.2 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | | | trans | -80.1 | 103.7 | 174.8 | 51 | 0 | 0 | 0 | 0 | 110.1 | | |
| 102 | S | 46.3 | Very low | 47.6 | Very low | 88 Ų | 88 | 157.2 Ų | 157.2 | 62% | 0.615 | 83% | 0.834 | S | S | * | * | | | trans | -155.8 | 72.8 | 163.4 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | V100 | V100-S102 PolarHBondContact O-N 3.1Š|
| 103 | N | 47.2 | Very low | 47.3 | Very low | 166 Ų | 166 | 157 Ų | 157 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | | | trans | -104.9 | 81.8 | 165.1 | -83 | -15.4 | 0 | 0 | 0 | 109 | | |
| 104 | T | 40.4 | Very low | 46.6 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 73% | 0.73 | 83% | 0.832 | S | S | * | * | | | trans | 23.5 | 106.6 | 133.2 | -34.2 | 0 | 0 | 0 | 0 | 116.5 | L106 | T104-L106 PolarHBondContact O-N 3.32Å; T104-L106 VanDerWaalsContact O-N 3.11Å |
| 105 | S | 42.4 | Very low | 46.2 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | trans | -53.8 | 107.6 | 167.1 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | R107 | S105-R107 PolarHBondContact O-N 3.11Š|
| 106 | L | 49.4 | Very low | 45.2 | Very low | 167 Ų | 167 | 159.5 Ų | 159.5 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | | | trans | -82.3 | 102.3 | 167.4 | -87.2 | 158.7 | 0 | 0 | 0 | 109.3 | T104 L108 | T104-L106 PolarHBondContact O-N 3.32Å; T104-L106 VanDerWaalsContact O-N 3.11Å; L106-L108 PolarHBondContact O-N 3.25Å |
| 107 | R | 44.1 | Very low | 45.1 | Very low | 237 Ų | 237 | 157.8 Ų | 157.8 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | | | trans | -61 | 114 | 173.7 | -165.1 | 171.4 | 174.9 | 172.2 | -3 | 109.3 | S105 Q109 | S105-R107 PolarHBondContact O-N 3.11Å; R107-Q109 PolarHBondContact O-N 3.3Å |
| 108 | L | 51.2 | Low | 45 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.4 | 177.4 | -70 | 162.8 | 0 | 0 | 0 | 109.9 | L106 | L106-L108 PolarHBondContact O-N 3.25Š|
| 109 | Q | 49 | Very low | 45 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -80 | 131 | 173.8 | -63.7 | -174.2 | 3.7 | 0 | 0 | 109.7 | R107 K111 | R107-Q109 PolarHBondContact O-N 3.3Å; Q109-K111 PolarHBondContact O-N 3.3Å |
| 110 | P | 47.4 | Very low | 44.4 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117.7 | 174.6 | 25.7 | -30.4 | 0 | 0 | 0 | 110.1 | H112 | P110-H112 PolarHBondContact O-N 3.19Š|
| 111 | K | 53 | Low | 44.5 | Very low | 214 Ų | 214 | 154.9 Ų | 154.9 | 93% | 0.93 | 84% | 0.844 | S | S | * | * | | | trans | -72.5 | 107.5 | 173.2 | -74.5 | -167.9 | 175.1 | -175.5 | 0 | 109.5 | Q109 | Q109-K111 PolarHBondContact O-N 3.3Š|
| 112 | H | 35.5 | Very low | 44.2 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 88% | 0.884 | 84% | 0.843 | S | S | * | * | | | trans | -65.2 | 151.9 | 160.3 | -95.5 | 12.6 | 0 | 0 | 0 | 111.4 | P110 | P110-H112 PolarHBondContact O-N 3.19Š|
| 113 | G | 40.9 | Very low | 44.1 | Very low | 67 Ų | 67 | 160.7 Ų | 160.7 | 69% | 0.691 | 86% | 0.86 | S | S | * | * | | | trans | 120.1 | 91.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 114 | A | 38.4 | Very low | 43.8 | Very low | 101 Ų | 101 | 160.3 Ų | 160.3 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | | | cis | 47.5 | 80 | 49.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 115 | N | 41.7 | Very low | 44.1 | Very low | 143 Ų | 143 | 163.8 Ų | 163.8 | 77% | 0.765 | 87% | 0.868 | S | S | * | * | | | trans | -145.9 | 102.9 | 161.2 | -108.7 | -14.8 | 0 | 0 | 0 | 109.5 | | |
| 116 | Q | 36.4 | Very low | 44.3 | Very low | 258 Ų | 258 | 167.5 Ų | 167.5 | 100% | 1.206 | 87% | 0.87 | S | S | * | * | | | trans | 59.3 | 0 | 144.9 | -54.4 | -169.1 | 22.5 | 0 | 0 | 119.5 | | |