| 1 | M | 58.8 | Low | 66.9 | Low | 206 Ų | 206 | 128.3 Ų | 128.3 | 100% | 1.015 | 63% | 0.629 | S | S | * | * | | | | 0 | -27.8 | 0 | -81.3 | -167.1 | -84.9 | 0 | 0 | 114.6 | T4 | M1-T4 PolarHBondContact O-OG1 3.25Š|
| 2 | L | 58.2 | Low | 67.1 | Low | 151 Ų | 151 | 124.7 Ų | 124.7 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -24.1 | -177.6 | -64.6 | 171.5 | 0 | 0 | 0 | 114.6 | Y6 | L2-Y6 PolarHBondContact O-N 3.25Å |
| 3 | Q | 60.7 | Low | 67.9 | Low | 164 Ų | 164 | 126.6 Ų | 126.6 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.5 | -32 | -175.8 | -158.2 | 159.9 | 7.2 | 0 | 0 | 113.1 | L7 | Q3-L7 WeakPolarHBondContact O-CD1 3.4Å; Q3-L7 PolarHBondContact O-N 2.99Å |
| 4 | T | 60.9 | Low | 68.8 | Low | 97 Ų | 97 | 126.6 Ų | 126.6 | 60% | 0.595 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.6 | -34.4 | 174.9 | 35.4 | 0 | 0 | 0 | 0 | 112.3 | M1 L7 F8 | M1-T4 PolarHBondContact O-OG1 3.25Å; T4-L7 PolarHBondContact O-N 3.38Å; T4-F8 PolarHBondContact O-N 3.15Å; T4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | I | 64.7 | Low | 69.4 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 57% | 0.569 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.2 | -41.4 | 178 | -62 | 169.9 | 0 | 0 | 0 | 110.9 | L7 F8 S9 | I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.38Å; I5-F8 PolarHBondContact O-N 2.9Å; I5-S9 WeakPolarHBondContact O-CB 3.06Å; I5-S9 PolarHBondContact O-N 2.86Å |
| 6 | Y | 68.9 | Low | 69.2 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -39.3 | 175.9 | -178.8 | -96.5 | 0 | 0 | 0 | 112.6 | L2 S9 K10 | L2-Y6 PolarHBondContact O-N 3.25Å; Y6-S9 PolarHBondContact O-N 2.92Å; Y6-K10 HydrophobicContact CE1-CD 3.72Å; Y6-K10 VanDerWaalsContact O-CB 3.27Å; Y6-K10 WeakPolarHBondContact O-CB 3.02Å; Y6-K10 PolarHBondContact O-N 2.91Å; Y6-K10 PolarHBondContact OH-NZ 2.77Å |
| 7 | L | 69.4 | Low | 69.1 | Low | 57 Ų | 57 | 123.2 Ų | 123.2 | 30% | 0.298 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -42 | 178.2 | -84 | 153.8 | 0 | 0 | 0 | 112.2 | Q3 T4 I5 K10 Y11 W14 | Q3-L7 WeakPolarHBondContact O-CD1 3.4Å; Q3-L7 PolarHBondContact O-N 2.99Å; T4-L7 PolarHBondContact O-N 3.38Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.38Å; L7-K10 PolarHBondContact O-N 2.97Å; L7-Y11 PolarHBondContact O-N 3.26Å; L7-W14 HydrophobicContact CB-CE3 3.99Å; L7-W14 HydrophobicContact CB-CZ3 3.67Å; L7-W14 HydrophobicContact CD1-CH2 4.2Å; L7-W14 HydrophobicContact CD1-CZ3 3.86Å; L7-W14 HydrophobicContact CD2-CE3 4.13Å; L7-W14 HydrophobicContact CD2-CH2 4.09Å; L7-W14 HydrophobicContact CD2-CZ3 3.7Å; L7-W14 HydrophobicContact CG-CZ3 3.94Å |
| 8 | F | 66.3 | Low | 68.6 | Low | 136 Ų | 136 | 123.4 Ų | 123.4 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 178.1 | -151.2 | -93.3 | 0 | 0 | 0 | 112.3 | T4 I5 Y11 P12 | T4-F8 PolarHBondContact O-N 3.15Å; T4-F8 VanDerWaalsContact O-N 3.09Å; I5-F8 PolarHBondContact O-N 2.9Å; F8-Y11 CarbonylContact O-C 3.36Å; F8-P12 WeakPolarHBondContact O-CA 3.24Å |
| 9 | S | 72.9 | Confident | 68 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.9 | -34 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 112.7 | I5 Y6 | I5-S9 WeakPolarHBondContact O-CB 3.06Å; I5-S9 PolarHBondContact O-N 2.86Å; Y6-S9 PolarHBondContact O-N 2.92Å |
| 10 | K | 76.8 | Confident | 67.3 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.6 | -26.3 | -178.9 | -167.7 | 165.4 | -178.4 | 149.3 | 0 | 113.2 | Y6 L7 | Y6-K10 HydrophobicContact CE1-CD 3.72Å; Y6-K10 VanDerWaalsContact O-CB 3.27Å; Y6-K10 WeakPolarHBondContact O-CB 3.02Å; Y6-K10 PolarHBondContact O-N 2.91Å; Y6-K10 PolarHBondContact OH-NZ 2.77Å; L7-K10 PolarHBondContact O-N 2.97Å |
| 11 | Y | 77.9 | Confident | 66.8 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | | | trans | -143.3 | 88.2 | 177.4 | -56.9 | -76 | 0 | 0 | 0 | 109.5 | L7 F8 D13 W14 | L7-Y11 PolarHBondContact O-N 3.26Å; F8-Y11 CarbonylContact O-C 3.36Å; Y11-D13 PolarHBondContact O-N 3.42Å; Y11-W14 WeakPolarHBondContact O-CB 3.45Å; Y11-W14 PolarHBondContact O-N 3.14Å |
| 12 | P | 70.3 | Confident | 66.8 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -23.4 | -175.9 | 25 | -33.9 | 0 | 0 | 0 | 113.2 | F8 | F8-P12 WeakPolarHBondContact O-CA 3.24Š|
| 13 | D | 76.9 | Confident | 66.9 | Low | 150 Ų | 150 | 125.2 Ų | 125.2 | 80% | 0.802 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 2.8 | 178.5 | -53.6 | -42.9 | 0 | 0 | 0 | 113 | Y11 N15 | Y11-D13 PolarHBondContact O-N 3.42Å; D13-N15 PolarHBondContact O-N 2.85Å |
| 14 | W | 80.7 | Confident | 66.7 | Low | 127 Ų | 127 | 124 Ų | 124 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | | | trans | -82.4 | 92.3 | -176.6 | -173.5 | 60 | 0 | 0 | 0 | 110.9 | L7 Y11 | L7-W14 HydrophobicContact CB-CE3 3.99Å; L7-W14 HydrophobicContact CB-CZ3 3.67Å; L7-W14 HydrophobicContact CD1-CH2 4.2Å; L7-W14 HydrophobicContact CD1-CZ3 3.86Å; L7-W14 HydrophobicContact CD2-CE3 4.13Å; L7-W14 HydrophobicContact CD2-CH2 4.09Å; L7-W14 HydrophobicContact CD2-CZ3 3.7Å; L7-W14 HydrophobicContact CG-CZ3 3.94Å; Y11-W14 WeakPolarHBondContact O-CB 3.45Å; Y11-W14 PolarHBondContact O-N 3.14Å |
| 15 | N | 77.3 | Confident | 66.6 | Low | 76 Ų | 76 | 127.1 Ų | 127.1 | 41% | 0.406 | 63% | 0.625 | S | S | . | * | | | trans | -99.6 | 110 | 170.5 | 179.3 | 3.9 | 0 | 0 | 0 | 110.4 | D13 E17 I18 | D13-N15 PolarHBondContact O-N 2.85Å; N15-E17 PolarHBondContact O-N 3.19Å; N15-E17 VanDerWaalsContact OD1-CB 3.3Å; N15-E17 WeakPolarHBondContact OD1-CB 3.4Å; N15-E17 PolarHBondContact OD1-N 3.31Å; N15-I18 HydrophobicContact CB-CD1 3.64Å; N15-I18 HydrophobicContact CB-CG1 3.72Å; N15-I18 WeakPolarHBondContact ND2-CG1 3.42Å; N15-I18 PolarHBondContact O-N 3.05Å |
| 16 | P | 66.4 | Low | 66.4 | Low | 78 Ų | 78 | 125.5 Ų | 125.5 | 51% | 0.506 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -70.6 | -9.8 | 179.6 | 30 | -34.8 | 0 | 0 | 0 | 113.7 | | |
| 17 | E | 67.3 | Low | 66 | Low | 167 Ų | 167 | 125 Ų | 125 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -87.2 | -5.1 | -179.9 | -57.7 | -175.2 | 174.8 | 0 | 0 | 114 | N15 L19 | N15-E17 PolarHBondContact O-N 3.19Å; N15-E17 VanDerWaalsContact OD1-CB 3.3Å; N15-E17 WeakPolarHBondContact OD1-CB 3.4Å; N15-E17 PolarHBondContact OD1-N 3.31Å; E17-L19 PolarHBondContact O-N 2.85Å |
| 18 | I | 60.3 | Low | 65.7 | Low | 128 Ų | 128 | 132.2 Ų | 132.2 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -77.9 | 0.8 | 177 | -43.7 | 176.3 | 0 | 0 | 0 | 111.6 | N15 | N15-I18 HydrophobicContact CB-CD1 3.64Å; N15-I18 HydrophobicContact CB-CG1 3.72Å; N15-I18 WeakPolarHBondContact ND2-CG1 3.42Å; N15-I18 PolarHBondContact O-N 3.05Å |
| 19 | L | 57.2 | Low | 65.7 | Low | 132 Ų | 132 | 132.6 Ų | 132.6 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -67.1 | 136.3 | 169.7 | -63.6 | 179.5 | 0 | 0 | 0 | 109.5 | E17 S21 | E17-L19 PolarHBondContact O-N 2.85Å; L19-S21 PolarHBondContact O-N 2.91Å |
| 20 | P | 54.2 | Low | 65.3 | Low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 67% | 0.666 | S | S | * | * | | | trans | -71.7 | 74.3 | 178.2 | 30.6 | -34 | 0 | 0 | 0 | 110.2 | R22 | P20-R22 VanDerWaalsContact C-N 3.33Š|
| 21 | S | 57.6 | Low | 64.7 | Low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -81.5 | -16.4 | 170.8 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | L19 | L19-S21 PolarHBondContact O-N 2.91Š|
| 22 | R | 58.3 | Low | 64 | Low | 219 Ų | 219 | 136.6 Ų | 136.6 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 36 | -175.6 | -157 | -175.6 | 174.5 | -171.2 | -1.7 | 114.2 | P20 | P20-R22 VanDerWaalsContact C-N 3.33Š|
| 23 | R | 59.5 | Low | 63.5 | Low | 210 Ų | 210 | 138.1 Ų | 138.1 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -4.8 | 175.2 | -86.3 | -173.2 | -178.4 | 159.1 | 2.3 | 115.3 | | |
| 24 | N | 56.6 | Low | 62.7 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -113.7 | 3 | -173.8 | -68.3 | -24.1 | 0 | 0 | 0 | 115.3 | G26 | N24-G26 PolarHBondContact O-N 2.86Š|
| 25 | E | 59.9 | Low | 61.9 | Low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.9 | 175.1 | -70.2 | 169.1 | 170.8 | 0 | 0 | 113.1 | | |
| 26 | G | 60.5 | Low | 61.1 | Low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 9.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | N24 | N24-G26 PolarHBondContact O-N 2.86Š|
| 27 | N | 60.6 | Low | 60.7 | Low | 138 Ų | 138 | 152.6 Ų | 152.6 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | trans | -109.1 | 54.4 | -179.7 | -159.4 | -13.6 | 0 | 0 | 0 | 112.8 | | |
| 28 | R | 61.8 | Low | 60.4 | Low | 207 Ų | 207 | 149.6 Ų | 149.6 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | trans | -99.8 | 84.2 | 157.7 | -71.6 | -174.7 | -176.4 | 130.9 | -1 | 108.4 | | |
| 29 | K | 66.3 | Low | 60.4 | Low | 145 Ų | 145 | 151.2 Ų | 151.2 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | | | trans | -119.9 | 56.7 | 159.9 | -72.4 | -138.1 | -173.1 | -170.4 | 0 | 109.5 | N31 E32 | K29-N31 PolarHBondContact O-N 2.77Å; K29-E32 HydrophobicContact CD-CG 4.32Å; K29-E32 WeakPolarHBondContact CD-OE1 3.43Å; K29-E32 IonicContact NZ-OE1 2.73Å; K29-E32 PolarHBondContact NZ-OE1 3.07Å |
| 30 | E | 65.9 | Low | 60.6 | Low | 148 Ų | 148 | 150.2 Ų | 150.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 0.7 | 175.2 | 60.7 | -151 | 164.7 | 0 | 0 | 113.5 | | |
| 31 | N | 63 | Low | 61 | Low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 16.3 | -176.9 | -60 | -33.9 | 0 | 0 | 0 | 114.5 | K29 T33 | K29-N31 PolarHBondContact O-N 2.77Å; N31-T33 VanDerWaalsContact C-N 3.32Å; N31-T33 PolarHBondContact O-N 3.28Å; N31-T33 VanDerWaalsContact O-N 3.08Å |
| 32 | E | 64.3 | Low | 60.9 | Low | 135 Ų | 135 | 151.7 Ų | 151.7 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | trans | -82.4 | 86.1 | 167.2 | -74 | -175 | -172.2 | 0 | 0 | 108.9 | K29 | K29-E32 HydrophobicContact CD-CG 4.32Å; K29-E32 WeakPolarHBondContact CD-OE1 3.43Å; K29-E32 IonicContact NZ-OE1 2.73Å; K29-E32 PolarHBondContact NZ-OE1 3.07Å |
| 33 | T | 59.3 | Low | 60.9 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | trans | -34.7 | 137 | 162.9 | 41.9 | 0 | 0 | 0 | 0 | 111.4 | N31 R35 | N31-T33 VanDerWaalsContact C-N 3.32Å; N31-T33 PolarHBondContact O-N 3.28Å; N31-T33 VanDerWaalsContact O-N 3.08Å; T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 3.12Å |
| 34 | P | 60 | Low | 61 | Low | 131 Ų | 131 | 148.8 Ų | 148.8 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | trans | -67.2 | 93.5 | 179.2 | 26.5 | -32.4 | 0 | 0 | 0 | 109.5 | R36 | P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 3.13Å |
| 35 | R | 62.9 | Low | 60.9 | Low | 197 Ų | 197 | 153.6 Ų | 153.6 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -67.3 | 90.7 | 172.8 | -174.1 | 172.8 | 172.7 | -158.5 | 1.8 | 108.7 | T33 R37 | T33-R35 VanDerWaalsContact C-N 3.32Å; T33-R35 PolarHBondContact O-N 3.12Å; R35-R37 PolarHBondContact O-N 2.9Å |
| 36 | R | 60.9 | Low | 60.8 | Low | 230 Ų | 230 | 151.2 Ų | 151.2 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | trans | -2.7 | 106.9 | 157 | -84.6 | 176.2 | 157.6 | -100.4 | 1.6 | 113.5 | P34 | P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 3.13Å |
| 37 | R | 59.3 | Low | 60.8 | Low | 177 Ų | 177 | 159 Ų | 159 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | trans | -140.7 | 90.5 | 153.5 | -74.3 | -164 | 175 | 90.3 | -5 | 110.4 | R35 | R35-R37 PolarHBondContact O-N 2.9Š|
| 38 | S | 60.4 | Low | 60.5 | Low | 103 Ų | 103 | 162.9 Ų | 162.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -57.9 | 118.6 | 166.4 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 39 | H | 60.1 | Low | 59.8 | Low | 163 Ų | 163 | 158.8 Ų | 158.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -148.4 | 95.3 | 158.4 | -62.8 | 92.2 | 0 | 0 | 0 | 110.2 | | |
| 40 | S | 61.2 | Low | 59.4 | Low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -56.4 | 139.7 | 164 | 26.7 | 0 | 0 | 0 | 0 | 110.4 | S42 | S40-S42 PolarHBondContact O-N 3.04Š|
| 41 | P | 62.6 | Low | 58.9 | Low | 127 Ų | 127 | 154.5 Ų | 154.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -76.5 | 92.3 | 175.6 | 29.6 | -30.3 | 0 | 0 | 0 | 109 | | |
| 42 | S | 54.8 | Low | 58.5 | Low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -71.5 | 124.3 | 167.9 | -152 | 0 | 0 | 0 | 0 | 108.9 | S40 R44 | S40-S42 PolarHBondContact O-N 3.04Å; S42-R44 PolarHBondContact O-N 3.01Å |
| 43 | P | 60.2 | Low | 58.4 | Low | 118 Ų | 118 | 151.7 Ų | 151.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 96.1 | -171.3 | 30 | -32 | 0 | 0 | 0 | 110.6 | R45 | P43-R45 PolarHBondContact O-N 3.3Å; P43-R45 VanDerWaalsContact O-N 3.09Å |
| 44 | R | 60.8 | Low | 58.1 | Low | 250 Ų | 250 | 155.2 Ų | 155.2 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 102.8 | 167.7 | -80.6 | -176.8 | 175.7 | -104.4 | 1.2 | 109.5 | S42 S46 | S42-R44 PolarHBondContact O-N 3.01Å; R44-S46 PolarHBondContact O-N 2.89Å |
| 45 | R | 55.2 | Low | 58 | Low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -41.1 | 129.3 | 172 | -75.2 | 173.9 | 161.3 | 176.3 | -5.8 | 113.4 | P43 | P43-R45 PolarHBondContact O-N 3.3Å; P43-R45 VanDerWaalsContact O-N 3.09Å |
| 46 | S | 57.3 | Low | 57.7 | Low | 111 Ų | 111 | 156.2 Ų | 156.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 34.6 | 106.9 | 132.9 | 155.8 | 0 | 0 | 0 | 0 | 118.3 | R44 | R44-S46 PolarHBondContact O-N 2.89Š|
| 47 | R | 60.9 | Low | 57.4 | Low | 242 Ų | 242 | 154.8 Ų | 154.8 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | trans | -123.8 | 84.8 | 147.9 | -91 | 179.4 | 151.6 | -178 | -6.4 | 109.5 | S49 | R47-S49 PolarHBondContact O-N 2.99Š|
| 48 | R | 53.8 | Low | 57.4 | Low | 218 Ų | 218 | 152.2 Ų | 152.2 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | | | trans | 24 | 91.4 | 137.8 | -176.4 | 178.1 | -95 | -112.3 | 0.4 | 114.8 | | |
| 49 | S | 47.7 | Very low | 57.4 | Low | 121 Ų | 121 | 158.7 Ų | 158.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -102.1 | 83.3 | 153.4 | -74.6 | 0 | 0 | 0 | 0 | 107.9 | R47 S51 | R47-S49 PolarHBondContact O-N 2.99Å; S49-S51 PolarHBondContact O-N 3.49Å |
| 50 | S | 57.5 | Low | 57.4 | Low | 80 Ų | 80 | 155 Ų | 155 | 56% | 0.559 | 77% | 0.77 | S | S | * | * | | | trans | -65.6 | 82.5 | 164.2 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | S52 | S50-S52 PolarHBondContact O-N 3.34Š|
| 51 | S | 54.8 | Low | 57.4 | Low | 123 Ų | 123 | 155.7 Ų | 155.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -73.3 | 68.8 | 157.8 | -173.5 | 0 | 0 | 0 | 0 | 107.3 | S49 H53 | S49-S51 PolarHBondContact O-N 3.49Å; S51-H53 PolarHBondContact O-N 3.28Å |
| 52 | S | 54.4 | Low | 57.2 | Low | 66 Ų | 66 | 156.9 Ų | 156.9 | 46% | 0.462 | 77% | 0.768 | S | S | . | * | | | trans | -66.4 | 107.8 | 173.2 | 62.1 | 0 | 0 | 0 | 0 | 106.8 | S50 R54 | S50-S52 PolarHBondContact O-N 3.34Å; S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.1Å |
| 53 | H | 61.6 | Low | 57.2 | Low | 152 Ų | 152 | 159 Ų | 159 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | | | trans | -28.4 | 87.4 | 148.2 | -174.9 | 93.2 | 0 | 0 | 0 | 111.4 | S51 F55 | S51-H53 PolarHBondContact O-N 3.28Å; H53-F55 AromaticContact CD2-CD2 3.84Å; H53-F55 AromaticContact CE1-CD2 3.02Å; H53-F55 WeakPolarHBondContact CE1-CD2 3.4Å; H53-F55 AromaticContact CE1-CE2 3.06Å; H53-F55 WeakPolarHBondContact CE1-CE2 3.49Å; H53-F55 AromaticContact CG-CD2 3.95Å; H53-F55 AromaticContact ND1-CD2 3.45Å; H53-F55 WeakPolarHBondContact ND1-CD2 3.17Å; H53-F55 AromaticContact ND1-CE2 3.55Å; H53-F55 AromaticContact NE2-CD2 3.24Å; H53-F55 WeakPolarHBondContact NE2-CD2 3.47Å; H53-F55 AromaticContact NE2-CE2 3.74Å |
| 54 | R | 54.2 | Low | 56.8 | Low | 192 Ų | 192 | 164.8 Ų | 164.8 | 73% | 0.725 | 77% | 0.774 | S | S | * | * | | | trans | -104.2 | 72.7 | 167 | -72.3 | -173.8 | -176.4 | 171.2 | 1.7 | 106.8 | S52 R56 | S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.1Å; R54-R56 VanDerWaalsContact C-N 3.31Å; R54-R56 HydrophobicContact CB-CG 4.46Å; R54-R56 PolarHBondContact O-N 3.11Å |
| 55 | F | 57 | Low | 56.5 | Low | 176 Ų | 176 | 160.6 Ų | 160.6 | 77% | 0.772 | 77% | 0.768 | S | S | * | * | | | trans | -54.2 | 103.7 | 155.7 | -95.9 | -104.6 | 0 | 0 | 0 | 107.1 | H53 | H53-F55 AromaticContact CD2-CD2 3.84Å; H53-F55 AromaticContact CE1-CD2 3.02Å; H53-F55 WeakPolarHBondContact CE1-CD2 3.4Å; H53-F55 AromaticContact CE1-CE2 3.06Å; H53-F55 WeakPolarHBondContact CE1-CE2 3.49Å; H53-F55 AromaticContact CG-CD2 3.95Å; H53-F55 AromaticContact ND1-CD2 3.45Å; H53-F55 WeakPolarHBondContact ND1-CD2 3.17Å; H53-F55 AromaticContact ND1-CE2 3.55Å; H53-F55 AromaticContact NE2-CD2 3.24Å; H53-F55 WeakPolarHBondContact NE2-CD2 3.47Å; H53-F55 AromaticContact NE2-CE2 3.74Å |
| 56 | R | 56.9 | Low | 56.5 | Low | 174 Ų | 174 | 158.9 Ų | 158.9 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -122.3 | 107.1 | 172.2 | -76.5 | -171.2 | 173.9 | -100 | -1.2 | 109.7 | R54 | R54-R56 VanDerWaalsContact C-N 3.31Å; R54-R56 HydrophobicContact CB-CG 4.46Å; R54-R56 PolarHBondContact O-N 3.11Å |
| 57 | R | 54.5 | Low | 56.2 | Low | 199 Ų | 199 | 163 Ų | 163 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | | | trans | 78.8 | 95.6 | 148.1 | -66.7 | 168.4 | -173.3 | 170.3 | -1.8 | 116.3 | R59 | R57-R59 PolarHBondContact O-N 2.99Š|
| 58 | S | 59.1 | Low | 56 | Low | 123 Ų | 123 | 155.6 Ų | 155.6 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | trans | -31 | 100.6 | 138.1 | 32.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 59 | R | 60.1 | Low | 56 | Low | 239 Ų | 239 | 154.5 Ų | 154.5 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | trans | -80.2 | 115.6 | 158.8 | -84.3 | 173.3 | 143.1 | 169.2 | -7.4 | 106.7 | R57 | R57-R59 PolarHBondContact O-N 2.99Š|
| 60 | S | 61.4 | Low | 56.6 | Low | 86 Ų | 86 | 153.8 Ų | 153.8 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | | | trans | -48.8 | 150.2 | 169.1 | -33.5 | 0 | 0 | 0 | 0 | 110.5 | M62 | S60-M62 PolarHBondContact O-N 3.09Š|
| 61 | P | 61.3 | Low | 56.6 | Low | 126 Ų | 126 | 161 Ų | 161 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -65.6 | 100.2 | 177.2 | -14.6 | 28.9 | 0 | 0 | 0 | 109.6 | H63 | P61-H63 PolarHBondContact O-N 3.06Š|
| 62 | M | 57.2 | Low | 56.7 | Low | 151 Ų | 151 | 160.1 Ų | 160.1 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | trans | -73.6 | 114.1 | 173.9 | -73.2 | -77.6 | 88.5 | 0 | 0 | 109 | S60 | S60-M62 PolarHBondContact O-N 3.09Š|
| 63 | H | 56.3 | Low | 57 | Low | 153 Ų | 153 | 163 Ų | 163 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | trans | -28.8 | 120.9 | 175.1 | -61.2 | -89.6 | 0 | 0 | 0 | 115.7 | P61 | P61-H63 PolarHBondContact O-N 3.06Š|
| 64 | Y | 50.7 | Low | 56.8 | Low | 238 Ų | 238 | 166.9 Ų | 166.9 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | | | trans | -107.1 | 108.6 | 141 | -100 | -88 | 0 | 0 | 0 | 107.6 | Y66 | Y64-Y66 PolarHBondContact O-N 2.72Š|
| 65 | M | 54.4 | Low | 56.9 | Low | 163 Ų | 163 | 165.3 Ų | 165.3 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | trans | -62 | 114 | 170.8 | -67.1 | -70.4 | -123.3 | 0 | 0 | 109.2 | R67 | M65-R67 PolarHBondContact O-N 2.99Š|
| 66 | Y | 55.2 | Low | 56.7 | Low | 203 Ų | 203 | 161.2 Ų | 161.2 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | 24.4 | 90.7 | 144.5 | -154.3 | -103.4 | 0 | 0 | 0 | 117.3 | Y64 P68 | Y64-Y66 PolarHBondContact O-N 2.72Å; Y66-P68 HydrophobicContact CD1-CG 4.06Å; Y66-P68 HydrophobicContact CE1-CB 4.35Å; Y66-P68 HydrophobicContact CE1-CG 3.54Å |
| 67 | R | 50.7 | Low | 56.6 | Low | 197 Ų | 197 | 159.9 Ų | 159.9 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -118.3 | 98.8 | 149.4 | -164.3 | 171.3 | -160.5 | -112.9 | 0.1 | 109.4 | M65 R69 | M65-R67 PolarHBondContact O-N 2.99Å; R67-R69 PolarHBondContact O-N 2.73Å |
| 68 | P | 57 | Low | 56.5 | Low | 88 Ų | 88 | 161.6 Ų | 161.6 | 57% | 0.571 | 77% | 0.774 | S | S | * | * | | | trans | -77.2 | 92.4 | 178 | 32.3 | -31.5 | 0 | 0 | 0 | 107.9 | Y66 S70 | Y66-P68 HydrophobicContact CD1-CG 4.06Å; Y66-P68 HydrophobicContact CE1-CB 4.35Å; Y66-P68 HydrophobicContact CE1-CG 3.54Å; P68-S70 PolarHBondContact O-N 2.7Å |
| 69 | R | 54.5 | Low | 56.2 | Low | 194 Ų | 194 | 164.7 Ų | 164.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -89.8 | 93.5 | 165.9 | -152.5 | 116 | -156.1 | -110.2 | 5.9 | 107.3 | R67 R71 | R67-R69 PolarHBondContact O-N 2.73Å; R69-R71 PolarHBondContact O-N 3.23Å; R69-R71 VanDerWaalsContact O-N 3.15Å |
| 70 | S | 59 | Low | 55.9 | Low | 107 Ų | 107 | 157.7 Ų | 157.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -19.3 | 108.3 | 171.3 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | P68 | P68-S70 PolarHBondContact O-N 2.7Š|
| 71 | R | 58 | Low | 55.3 | Low | 232 Ų | 232 | 157 Ų | 157 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | | | trans | -175.3 | 91.3 | 160.1 | -100.1 | 153.2 | -176.4 | 160.5 | 1.9 | 105.8 | R69 | R69-R71 PolarHBondContact O-N 3.23Å; R69-R71 VanDerWaalsContact O-N 3.15Å |
| 72 | S | 57.5 | Low | 54.9 | Low | 104 Ų | 104 | 162.5 Ų | 162.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 25 | 138.4 | 165.1 | -46.9 | 0 | 0 | 0 | 0 | 118.8 | R74 | S72-R74 PolarHBondContact O-N 3.11Š|
| 73 | P | 61.3 | Low | 54.6 | Low | 127 Ų | 127 | 165.7 Ų | 165.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -51.4 | 111.8 | 176.6 | 21.9 | -31.8 | 0 | 0 | 0 | 110 | I75 | P73-I75 PolarHBondContact O-N 2.83Š|
| 74 | R | 57.3 | Low | 54.2 | Low | 233 Ų | 233 | 167.2 Ų | 167.2 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -65.3 | 104.3 | 171.5 | -73.8 | -175 | 177.6 | -171.9 | -1.1 | 105.4 | S72 C76 | S72-R74 PolarHBondContact O-N 3.11Å; R74-C76 PolarHBondContact O-N 2.81Å |
| 75 | I | 55.2 | Low | 54.1 | Low | 159 Ų | 159 | 160.2 Ų | 160.2 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | trans | -33.9 | 108.6 | 178.9 | -64.9 | 161.1 | 0 | 0 | 0 | 108.9 | P73 H77 | P73-I75 PolarHBondContact O-N 2.83Å; I75-H77 PolarHBondContact O-N 2.83Å |
| 76 | C | 52.4 | Low | 53.9 | Low | 90 Ų | 90 | 163.9 Ų | 163.9 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | trans | -66.1 | 85.1 | 175.4 | -62 | 0 | 0 | 0 | 0 | 107.7 | R74 R78 F79 | R74-C76 PolarHBondContact O-N 2.81Å; C76-R78 PolarHBondContact O-N 2.94Å; C76-F79 HydrophobicContact CB-CD2 4.16Å; C76-F79 PolarHBondContact O-N 3.13Å |
| 77 | H | 54.8 | Low | 53.8 | Low | 145 Ų | 145 | 159.1 Ų | 159.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -58.3 | -5.6 | 171.7 | -169.6 | -70.7 | 0 | 0 | 0 | 111.8 | I75 F79 I80 | I75-H77 PolarHBondContact O-N 2.83Å; H77-F79 VanDerWaalsContact C-N 3.3Å; H77-F79 PolarHBondContact O-N 3.12Å; H77-I80 WeakPolarHBondContact NE2-CD1 3.17Å |
| 78 | R | 53.1 | Low | 53.6 | Low | 236 Ų | 236 | 160 Ų | 160 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -71.4 | -17.4 | 177.8 | -145 | 173.1 | -157.7 | -150.9 | 2.5 | 114.5 | C76 | C76-R78 PolarHBondContact O-N 2.94Š|
| 79 | F | 53 | Low | 53.2 | Low | 187 Ų | 187 | 160.7 Ų | 160.7 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -104.6 | 25.6 | 178.4 | -68.9 | -74.6 | 0 | 0 | 0 | 114.2 | C76 H77 S81 | C76-F79 HydrophobicContact CB-CD2 4.16Å; C76-F79 PolarHBondContact O-N 3.13Å; H77-F79 VanDerWaalsContact C-N 3.3Å; H77-F79 PolarHBondContact O-N 3.12Å; F79-S81 PolarHBondContact O-N 3.43Å; F79-S81 VanDerWaalsContact O-N 3.14Å |
| 80 | I | 53 | Low | 53 | Low | 92 Ų | 92 | 163.4 Ų | 163.4 | 47% | 0.472 | 77% | 0.765 | S | S | . | * | | | trans | -77.7 | 105 | 166.3 | -54.6 | -176.2 | 0 | 0 | 0 | 107.5 | H77 R82 | H77-I80 WeakPolarHBondContact NE2-CD1 3.17Å; I80-R82 PolarHBondContact O-N 3.35Å |
| 81 | S | 49.6 | Very low | 52.3 | Low | 73 Ų | 73 | 160.4 Ų | 160.4 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | | | trans | -40.8 | 121.9 | 169.3 | 162.8 | 0 | 0 | 0 | 0 | 110.3 | F79 Y83 R84 | F79-S81 PolarHBondContact O-N 3.43Å; F79-S81 VanDerWaalsContact O-N 3.14Å; S81-Y83 PolarHBondContact O-N 3.46Å; S81-Y83 PolarHBondContact OG-N 2.59Å; S81-R84 PolarHBondContact O-N 3.43Å |
| 82 | R | 52.8 | Low | 52.1 | Low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -4.6 | 177.2 | -149.6 | 174.5 | -63.1 | -136.9 | 1.4 | 113.2 | I80 | I80-R82 PolarHBondContact O-N 3.35Š|
| 83 | Y | 51.1 | Low | 51.6 | Low | 219 Ų | 219 | 159.4 Ų | 159.4 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -14.5 | 177.4 | -94.1 | -96.5 | 0 | 0 | 0 | 115.4 | S81 | S81-Y83 PolarHBondContact O-N 3.46Å; S81-Y83 PolarHBondContact OG-N 2.59Å |
| 84 | R | 48.7 | Very low | 51 | Low | 184 Ų | 184 | 163.8 Ų | 163.8 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -94.2 | 5.9 | 177.8 | -162 | 168.8 | -92.1 | -105.9 | 7.1 | 113.9 | S81 | S81-R84 PolarHBondContact O-N 3.43Š|
| 85 | S | 47.2 | Very low | 50.9 | Low | 92 Ų | 92 | 158.8 Ų | 158.8 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -93.1 | 3.9 | -178.9 | -44 | 0 | 0 | 0 | 0 | 114.7 | | |
| 86 | R | 51.5 | Low | 51.1 | Low | 239 Ų | 239 | 162.3 Ų | 162.3 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -85.8 | -11.6 | 173.3 | -109.1 | 173.3 | -176.1 | 173.6 | 0.3 | 113.6 | | |
| 87 | S | 51.7 | Low | 51 | Low | 104 Ų | 104 | 161.5 Ų | 161.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -151.5 | 64.2 | -169.1 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 88 | R | 48 | Very low | 51.3 | Low | 214 Ų | 214 | 159.3 Ų | 159.3 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -152.1 | 121.8 | 153.1 | -134.5 | 162.5 | -176.3 | 157.8 | 1.7 | 112.9 | | |
| 89 | S | 48.6 | Very low | 51.4 | Low | 104 Ų | 104 | 156.6 Ų | 156.6 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | trans | 86.9 | 47.5 | 160.9 | -156.3 | 0 | 0 | 0 | 0 | 118 | S91 | S89-S91 PolarHBondContact O-N 3.48Š|
| 90 | R | 49.8 | Very low | 51.4 | Low | 251 Ų | 251 | 158.2 Ų | 158.2 | 95% | 0.947 | 72% | 0.717 | S | S | * | * | | | | -72.6 | 90.7 | 128.8 | -108.2 | 164.2 | 173.6 | 142.9 | -5.8 | 105.1 | | |
| 91 | S | 43.9 | Very low | 51.4 | Low | 44 Ų | 44 | 156.6 Ų | 156.6 | 31% | 0.308 | 72% | 0.723 | S | S | . | * | | | trans | -59.4 | 128 | 169.6 | 65.2 | 0 | 0 | 0 | 0 | 107 | S89 Y93 R94 | S89-S91 PolarHBondContact O-N 3.48Å; S91-Y93 PolarHBondContact O-N 3.34Å; S91-R94 PolarHBondContact O-N 3.06Å; S91-R94 VanDerWaalsContact O-N 3.13Å; S91-R94 WeakPolarHBondContact OG-CB 3.46Å; S91-R94 WeakPolarHBondContact OG-CG 3.43Å; S91-R94 PolarHBondContact OG-N 3.16Å; S91-R94 VanDerWaalsContact OG-N 3.12Å |
| 92 | P | 53.3 | Low | 51.6 | Low | 116 Ų | 116 | 157.3 Ų | 157.3 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -13.8 | 176.2 | 22.3 | -27.4 | 0 | 0 | 0 | 111.9 | | |
| 93 | Y | 47.6 | Very low | 51.8 | Low | 199 Ų | 199 | 151.1 Ų | 151.1 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 6 | 178.7 | -68.2 | -80.5 | 0 | 0 | 0 | 116.1 | S91 I95 | S91-Y93 PolarHBondContact O-N 3.34Å; Y93-I95 PolarHBondContact O-N 3.29Å |
| 94 | R | 49.6 | Very low | 52 | Low | 218 Ų | 218 | 149.8 Ų | 149.8 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | | | trans | -85.9 | 64.9 | 161.6 | -85.7 | -160.8 | -160.8 | 156.7 | 5.5 | 108.4 | S91 R96 | S91-R94 PolarHBondContact O-N 3.06Å; S91-R94 VanDerWaalsContact O-N 3.13Å; S91-R94 WeakPolarHBondContact OG-CB 3.46Å; S91-R94 WeakPolarHBondContact OG-CG 3.43Å; S91-R94 PolarHBondContact OG-N 3.16Å; S91-R94 VanDerWaalsContact OG-N 3.12Å; R94-R96 PolarHBondContact O-N 3.21Å |
| 95 | I | 54 | Low | 51.7 | Low | 128 Ų | 128 | 146.4 Ų | 146.4 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | | | trans | -48.4 | 112.5 | 157 | -68.9 | 166.5 | 0 | 0 | 0 | 105.3 | Y93 N97 | Y93-I95 PolarHBondContact O-N 3.29Å; I95-N97 VanDerWaalsContact C-N 3.33Å; I95-N97 PolarHBondContact O-N 3.05Å |
| 96 | R | 58.7 | Low | 52.1 | Low | 234 Ų | 234 | 151.8 Ų | 151.8 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | trans | -56.1 | 105 | 166.2 | 177 | 175 | 173.4 | -177.9 | -4 | 105.2 | R94 P98 | R94-R96 PolarHBondContact O-N 3.21Å; R96-P98 WeakPolarHBondContact O-CD 3.2Å |
| 97 | N | 51.1 | Low | 52.1 | Low | 72 Ų | 72 | 150.1 Ų | 150.1 | 39% | 0.385 | 73% | 0.727 | S | S | . | * | | | trans | -50.5 | 113.4 | -177.8 | 173.4 | 18.6 | 0 | 0 | 0 | 108.8 | I95 F99 R100 | I95-N97 VanDerWaalsContact C-N 3.33Å; I95-N97 PolarHBondContact O-N 3.05Å; N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 VanDerWaalsContact O-N 3.11Å; N97-F99 WeakPolarHBondContact OD1-CB 3.45Å; N97-F99 PolarHBondContact OD1-N 3.29Å; N97-R100 HydrophobicContact CB-CB 3.99Å; N97-R100 WeakPolarHBondContact ND2-CB 3.35Å; N97-R100 PolarHBondContact ND2-N 3.22Å; N97-R100 PolarHBondContact O-N 3Å; N97-R100 VanDerWaalsContact O-N 3.1Å |
| 98 | P | 60.6 | Low | 52.2 | Low | 99 Ų | 99 | 150.6 Ų | 150.6 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -57.7 | -26 | 178.7 | -22.5 | 32.9 | 0 | 0 | 0 | 111.8 | R96 | R96-P98 WeakPolarHBondContact O-CD 3.2Š|
| 99 | F | 55.6 | Low | 52.5 | Low | 180 Ų | 180 | 145.5 Ų | 145.5 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -91.5 | -6.3 | -177.7 | -54.2 | -77 | 0 | 0 | 0 | 114.5 | N97 | N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 VanDerWaalsContact O-N 3.11Å; N97-F99 WeakPolarHBondContact OD1-CB 3.45Å; N97-F99 PolarHBondContact OD1-N 3.29Å |
| 100 | R | 52.4 | Low | 52.7 | Low | 220 Ų | 220 | 142.3 Ų | 142.3 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -94.3 | 7.2 | 172.4 | -109.6 | -175.4 | -172.9 | -83.9 | 2 | 113.2 | N97 S102 | N97-R100 HydrophobicContact CB-CB 3.99Å; N97-R100 WeakPolarHBondContact ND2-CB 3.35Å; N97-R100 PolarHBondContact ND2-N 3.22Å; N97-R100 PolarHBondContact O-N 3Å; N97-R100 VanDerWaalsContact O-N 3.1Å; R100-S102 PolarHBondContact O-N 2.69Å |
| 101 | G | 54.5 | Low | 53.3 | Low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -84.8 | 72.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P103 | G101-P103 VanDerWaalsContact O-N 3.16Š|
| 102 | S | 52.8 | Low | 54 | Low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | | | trans | -46.1 | 128.5 | 164.7 | 169.8 | 0 | 0 | 0 | 0 | 106.5 | R100 K104 | R100-S102 PolarHBondContact O-N 2.69Å; S102-K104 PolarHBondContact O-N 2.99Å |
| 103 | P | 58.2 | Low | 54.2 | Low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | | | trans | -58.1 | 103.8 | 172.9 | 23.7 | -29.3 | 0 | 0 | 0 | 103.9 | G101 C105 | G101-P103 VanDerWaalsContact O-N 3.16Å; P103-C105 PolarHBondContact O-N 3.24Å |
| 104 | K | 54.4 | Low | 54.6 | Low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.826 | 68% | 0.683 | S | S | * | * | | | trans | -55.9 | 105.5 | 168.8 | -82.4 | 178.2 | 177 | 172.9 | 0 | 102.3 | S102 F106 | S102-K104 PolarHBondContact O-N 2.99Å; K104-F106 PolarHBondContact O-N 3.2Å |
| 105 | C | 42.6 | Very low | 54.9 | Low | 114 Ų | 114 | 130.4 Ų | 130.4 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | | | trans | -39.4 | 118.5 | 172.3 | -39.2 | 0 | 0 | 0 | 0 | 104 | P103 R107 | P103-C105 PolarHBondContact O-N 3.24Å; C105-R107 VanDerWaalsContact C-N 3.3Å; C105-R107 PolarHBondContact O-N 3.45Å |
| 106 | F | 54.3 | Low | 55.1 | Low | 204 Ų | 204 | 134 Ų | 134 | 90% | 0.895 | 67% | 0.672 | S | S | * | * | | | trans | -44.4 | 107 | 177.9 | -83.7 | -95.2 | 0 | 0 | 0 | 105.3 | K104 S108 | K104-F106 PolarHBondContact O-N 3.2Å; F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.31Å |
| 107 | R | 52.9 | Low | 54.9 | Low | 205 Ų | 205 | 132.4 Ų | 132.4 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | | | trans | -60.6 | 108.5 | 173.4 | -97.8 | -172.8 | -174.7 | -139 | 5.3 | 101.7 | C105 V109 | C105-R107 VanDerWaalsContact C-N 3.3Å; C105-R107 PolarHBondContact O-N 3.45Å; R107-V109 PolarHBondContact O-N 3.04Å |
| 108 | S | 53 | Low | 55 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | | | trans | -40 | 109.1 | 176.7 | 33.5 | 0 | 0 | 0 | 0 | 106.5 | F106 S110 | F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.31Å; S108-S110 PolarHBondContact O-N 3.33Å |
| 109 | V | 55.2 | Low | 54.7 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | | | trans | -72.7 | 92 | 179.3 | -169.9 | 0 | 0 | 0 | 0 | 102.8 | R107 M114 | R107-V109 PolarHBondContact O-N 3.04Å; V109-M114 HydrophobicContact CG1-CB 4.36Å |
| 110 | S | 52.6 | Low | 54.7 | Low | 38 Ų | 38 | 134.4 Ų | 134.4 | 27% | 0.266 | 67% | 0.671 | S | S | . | * | | | trans | -52.1 | 134.7 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 107.6 | S108 E112 R113 M114 | S108-S110 PolarHBondContact O-N 3.33Å; S110-E112 PolarHBondContact O-N 3.36Å; S110-E112 PolarHBondContact OG-N 2.81Å; S110-E112 PolarHBondContact OG-OE2 3.31Å; S110-R113 WeakPolarHBondContact O-CA 3.33Å; S110-R113 WeakPolarHBondContact O-CB 3.27Å; S110-R113 PolarHBondContact O-N 3.24Å; S110-M114 PolarHBondContact O-N 2.99Å |
| 111 | P | 61.9 | Low | 54.8 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -45 | -32.8 | 171.6 | -30 | 36.3 | 0 | 0 | 0 | 112.7 | R113 M114 S115 | P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 2.99Å; P111-M114 WeakPolarHBondContact O-CG 3.42Å; P111-M114 PolarHBondContact O-N 2.92Å; P111-S115 PolarHBondContact O-N 3.2Å |
| 112 | E | 58.7 | Low | 54.8 | Low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.8 | -30.5 | 177.8 | -67.3 | 140 | 159.7 | 0 | 0 | 113.5 | S110 | S110-E112 PolarHBondContact O-N 3.36Å; S110-E112 PolarHBondContact OG-N 2.81Å; S110-E112 PolarHBondContact OG-OE2 3.31Å |
| 113 | R | 57.6 | Low | 54.9 | Low | 169 Ų | 169 | 127 Ų | 127 | 64% | 0.638 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.3 | -34.8 | 175.5 | -96.4 | -173.1 | 170.1 | -170.5 | -3.2 | 112.6 | S110 P111 | S110-R113 WeakPolarHBondContact O-CA 3.33Å; S110-R113 WeakPolarHBondContact O-CB 3.27Å; S110-R113 PolarHBondContact O-N 3.24Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 2.99Å |
| 114 | M | 56.8 | Low | 54.9 | Low | 99 Ų | 99 | 131.2 Ų | 131.2 | 49% | 0.488 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.8 | -31.3 | 177 | 63.8 | 65.9 | 57.2 | 0 | 0 | 112.2 | V109 S110 P111 R116 R117 S118 | V109-M114 HydrophobicContact CG1-CB 4.36Å; S110-M114 PolarHBondContact O-N 2.99Å; P111-M114 WeakPolarHBondContact O-CG 3.42Å; P111-M114 PolarHBondContact O-N 2.92Å; M114-R116 PolarHBondContact O-N 3.34Å; M114-R117 PolarHBondContact O-N 3Å; M114-R117 VanDerWaalsContact O-N 3.11Å; M114-S118 PolarHBondContact O-N 3.29Å |
| 115 | S | 55.1 | Low | 55.1 | Low | 68 Ų | 68 | 129 Ų | 129 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.5 | -44.8 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | P111 R117 S118 | P111-S115 PolarHBondContact O-N 3.2Å; S115-R117 PolarHBondContact O-N 3.43Å; S115-S118 WeakPolarHBondContact O-CB 3.2Å; S115-S118 PolarHBondContact O-N 2.96Å |
| 116 | R | 57.8 | Low | 55.8 | Low | 202 Ų | 202 | 128.4 Ų | 128.4 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -24.2 | 176.6 | -64.8 | -178.9 | -175.7 | -165.9 | 1.7 | 113.9 | M114 | M114-R116 PolarHBondContact O-N 3.34Å |
| 117 | R | 53.7 | Low | 55.7 | Low | 202 Ų | 202 | 121 Ų | 121 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -87.1 | -30.5 | 176.4 | -174.2 | 174.3 | -82.8 | -178.4 | -6.1 | 112 | M114 S115 V119 R120 S121 | M114-R117 PolarHBondContact O-N 3Å; M114-R117 VanDerWaalsContact O-N 3.11Å; S115-R117 PolarHBondContact O-N 3.43Å; R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 PolarHBondContact O-N 3.34Å; R117-R120 PolarHBondContact O-N 3.49Å; R117-R120 VanDerWaalsContact O-N 3.12Å; R117-S121 PolarHBondContact O-N 3.46Å |
| 118 | S | 55 | Low | 55.9 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.6 | -39.4 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | M114 S115 R120 S121 S122 | M114-S118 PolarHBondContact O-N 3.29Å; S115-S118 WeakPolarHBondContact O-CB 3.2Å; S115-S118 PolarHBondContact O-N 2.96Å; S118-R120 PolarHBondContact O-N 3.25Å; S118-R120 VanDerWaalsContact O-N 3.13Å; S118-S121 WeakPolarHBondContact CA-OG 3.35Å; S118-S121 PolarHBondContact O-N 3.08Å; S118-S121 PolarHBondContact O-OG 3.27Å; S118-S122 PolarHBondContact O-N 3.16Å |
| 119 | V | 53 | Low | 56.1 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 68% | 0.679 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.2 | -27.6 | 178.8 | -177 | 0 | 0 | 0 | 0 | 112.5 | R117 S122 | R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 PolarHBondContact O-N 3.34Å; V119-S122 PolarHBondContact O-OG 3.4Å |
| 120 | R | 55 | Low | 56 | Low | 219 Ų | 219 | 118.4 Ų | 118.4 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -93.9 | -10.7 | 176.2 | -69.6 | -162.3 | 171.7 | 103.2 | -1.9 | 114.6 | R117 S118 | R117-R120 PolarHBondContact O-N 3.49Å; R117-R120 VanDerWaalsContact O-N 3.12Å; S118-R120 PolarHBondContact O-N 3.25Å; S118-R120 VanDerWaalsContact O-N 3.13Å |
| 121 | S | 54.8 | Low | 56.1 | Low | 56 Ų | 56 | 121 Ų | 121 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -96.8 | -10.4 | 177.8 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | R117 S118 D123 R124 K125 | R117-S121 PolarHBondContact O-N 3.46Å; S118-S121 WeakPolarHBondContact CA-OG 3.35Å; S118-S121 PolarHBondContact O-N 3.08Å; S118-S121 PolarHBondContact O-OG 3.27Å; S121-D123 PolarHBondContact O-N 3.08Å; S121-R124 PolarHBondContact O-N 3.49Å; S121-K125 PolarHBondContact O-N 2.99Å |
| 122 | S | 56 | Low | 55.8 | Low | 46 Ų | 46 | 121.4 Ų | 121.4 | 32% | 0.322 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.7 | -22.1 | 171.5 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | S118 V119 K125 K126 | S118-S122 PolarHBondContact O-N 3.16Å; V119-S122 PolarHBondContact O-OG 3.4Å; S122-K125 VanDerWaalsContact O-CG 3.28Å; S122-K125 WeakPolarHBondContact O-CG 3.28Å; S122-K126 VanDerWaalsContact O-CD 3.25Å; S122-K126 WeakPolarHBondContact O-CD 3.25Å; S122-K126 PolarHBondContact O-NZ 3.47Å |
| 123 | D | 54.8 | Low | 55.7 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78 | -27.6 | 171.6 | -83.4 | -23 | 0 | 0 | 0 | 114.4 | S121 K126 | S121-D123 PolarHBondContact O-N 3.08Å; D123-K126 VanDerWaalsContact CA-CE 3.46Å; D123-K126 WeakPolarHBondContact O-CD 3.33Å; D123-K126 WeakPolarHBondContact O-CE 3.5Å; D123-K126 WeakPolarHBondContact OD1-CE 3.3Å; D123-K126 IonicContact OD1-NZ 2.59Å; D123-K126 PolarHBondContact OD1-NZ 3.42Å |
| 124 | R | 56.9 | Low | 55.6 | Low | 197 Ų | 197 | 125.8 Ų | 125.8 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -83.3 | -21.9 | -178.8 | -110 | -178.7 | 179.5 | -162.6 | -1.5 | 114.2 | S121 A127 L128 | S121-R124 PolarHBondContact O-N 3.49Å; R124-A127 PolarHBondContact O-N 3.44Å; R124-L128 PolarHBondContact O-N 3.25Å |
| 125 | K | 59.5 | Low | 55.4 | Low | 144 Ų | 144 | 124.9 Ų | 124.9 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -37.1 | -178.3 | 57.6 | 177.3 | -176.2 | 172.4 | 0 | 113.6 | S121 S122 L128 | S121-K125 PolarHBondContact O-N 2.99Å; S122-K125 VanDerWaalsContact O-CG 3.28Å; S122-K125 WeakPolarHBondContact O-CG 3.28Å; K125-L128 PolarHBondContact O-N 3.28Å |
| 126 | K | 57.5 | Low | 55.4 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.7 | -29.4 | 173 | 55.8 | -94.5 | -159.8 | 168.6 | 0 | 113.6 | S122 D123 L128 E129 D130 | S122-K126 VanDerWaalsContact O-CD 3.25Å; S122-K126 WeakPolarHBondContact O-CD 3.25Å; S122-K126 PolarHBondContact O-NZ 3.47Å; D123-K126 VanDerWaalsContact CA-CE 3.46Å; D123-K126 WeakPolarHBondContact O-CD 3.33Å; D123-K126 WeakPolarHBondContact O-CE 3.5Å; D123-K126 WeakPolarHBondContact OD1-CE 3.3Å; D123-K126 IonicContact OD1-NZ 2.59Å; D123-K126 PolarHBondContact OD1-NZ 3.42Å; K126-L128 PolarHBondContact O-N 2.7Å; K126-E129 PolarHBondContact O-N 3.49Å; K126-D130 PolarHBondContact O-N 2.92Å |
| 127 | A | 52.8 | Low | 54.5 | Low | 50 Ų | 50 | 124.3 Ų | 124.3 | 41% | 0.413 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.5 | -19.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R124 V131 | R124-A127 PolarHBondContact O-N 3.44Å; A127-V131 WeakPolarHBondContact O-CG2 3.48Å |
| 128 | L | 56.7 | Low | 53.9 | Low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.9 | -34.6 | 175.7 | -71.8 | 175.1 | 0 | 0 | 0 | 112.3 | R124 K125 K126 V131 V132 | R124-L128 PolarHBondContact O-N 3.25Å; K125-L128 PolarHBondContact O-N 3.28Å; K126-L128 PolarHBondContact O-N 2.7Å; L128-V131 PolarHBondContact O-N 3.46Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.23Å; L128-V132 VanDerWaalsContact O-N 3.08Å |
| 129 | E | 56.3 | Low | 53.7 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.5 | -39.1 | 174.4 | -76.1 | 176.9 | 170.5 | 0 | 0 | 111.6 | K126 V131 V132 Q133 | K126-E129 PolarHBondContact O-N 3.49Å; E129-V131 VanDerWaalsContact C-N 3.3Å; E129-V131 PolarHBondContact O-N 3.41Å; E129-V132 PolarHBondContact O-N 3.04Å; E129-Q133 PolarHBondContact O-N 2.84Å; E129-Q133 VanDerWaalsContact O-N 3.16Å |
| 130 | D | 54 | Low | 53.4 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.6 | -28.5 | 173.8 | -86.4 | -14.2 | 0 | 0 | 0 | 113.5 | K126 R134 | K126-D130 PolarHBondContact O-N 2.92Å; D130-R134 PolarHBondContact O-N 3.09Å |
| 131 | V | 54.4 | Low | 53.2 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.6 | -36.1 | 175.2 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | A127 L128 E129 R134 S135 | A127-V131 WeakPolarHBondContact O-CG2 3.48Å; L128-V131 PolarHBondContact O-N 3.46Å; E129-V131 VanDerWaalsContact C-N 3.3Å; E129-V131 PolarHBondContact O-N 3.41Å; V131-R134 PolarHBondContact O-N 3.34Å; V131-S135 PolarHBondContact O-N 3.43Å; V131-S135 VanDerWaalsContact O-N 3.16Å; V131-S135 PolarHBondContact O-OG 3.46Å |
| 132 | V | 56.3 | Low | 53 | Low | 107 Ų | 107 | 128.2 Ų | 128.2 | 65% | 0.648 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.3 | -35.6 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | L128 E129 R134 | L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.23Å; L128-V132 VanDerWaalsContact O-N 3.08Å; E129-V132 PolarHBondContact O-N 3.04Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.41Å |
| 133 | Q | 55.5 | Low | 52.8 | Low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.2 | -22.1 | 175.5 | -69.1 | -163.9 | -7.2 | 0 | 0 | 113.9 | E129 | E129-Q133 PolarHBondContact O-N 2.84Å; E129-Q133 VanDerWaalsContact O-N 3.16Å |
| 134 | R | 55 | Low | 52.7 | Low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -93.2 | -14.1 | 178.1 | -77.7 | -170.3 | 165.5 | -157.5 | -3.3 | 114.7 | D130 V131 V132 G136 | D130-R134 PolarHBondContact O-N 3.09Å; V131-R134 PolarHBondContact O-N 3.34Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.41Å; R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 2.73Å |
| 135 | S | 53.3 | Low | 52.4 | Low | 80 Ų | 80 | 138.5 Ų | 138.5 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | | | trans | -94.2 | 60.8 | 175.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | V131 H137 | V131-S135 PolarHBondContact O-N 3.43Å; V131-S135 VanDerWaalsContact O-N 3.16Å; V131-S135 PolarHBondContact O-OG 3.46Å; S135-H137 PolarHBondContact O-N 2.74Å |
| 136 | G | 55.6 | Low | 51.5 | Low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | | | trans | -71.7 | 80.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110 | R134 | R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 2.73Å |
| 137 | H | 38 | Very low | 51.1 | Low | 190 Ų | 190 | 142.3 Ų | 142.3 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | | | trans | -163.8 | 116.6 | 160.1 | -115.9 | 54.6 | 0 | 0 | 0 | 111.9 | S135 | S135-H137 PolarHBondContact O-N 2.74Š|
| 138 | G | 41.4 | Very low | 50.5 | Low | 71 Ų | 71 | 148.6 Ų | 148.6 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | trans | 81.7 | 84.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | E140 | G138-E140 PolarHBondContact O-N 3.08Š|
| 139 | T | 51.8 | Low | 49.9 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | -32.8 | 122.1 | 145.3 | -26.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 140 | E | 46 | Very low | 49.1 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -163.3 | 75.1 | 144.9 | -66.1 | -153.4 | -167.4 | 0 | 0 | 110.6 | G138 N142 | G138-E140 PolarHBondContact O-N 3.08Å; E140-N142 PolarHBondContact O-N 3.43Å |
| 141 | F | 51.5 | Low | 48.5 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -83.6 | 95.6 | 160.3 | -88 | -91.2 | 0 | 0 | 0 | 108.9 | | |
| 142 | N | 49.3 | Very low | 48.6 | Very low | 119 Ų | 119 | 153 Ų | 153 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -163.5 | 100.2 | 155.3 | -157.8 | -33.1 | 0 | 0 | 0 | 112.9 | E140 Q144 | E140-N142 PolarHBondContact O-N 3.43Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.08Å; N142-Q144 PolarHBondContact OD1-N 3.32Å; N142-Q144 VanDerWaalsContact OD1-N 3.08Å |
| 143 | K | 51.6 | Low | 47.7 | Very low | 214 Ų | 214 | 151.1 Ų | 151.1 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -135.5 | 77.8 | 141.3 | -71.2 | -165.4 | -179.8 | -179.8 | 0 | 107.7 | | |
| 144 | Q | 53.4 | Low | 47 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -50.4 | 144.5 | 166.1 | -168.3 | 168.3 | -51.5 | 0 | 0 | 110.8 | N142 | N142-Q144 WeakPolarHBondContact OD1-CB 3.08Å; N142-Q144 PolarHBondContact OD1-N 3.32Å; N142-Q144 VanDerWaalsContact OD1-N 3.08Å |
| 145 | K | 49.7 | Very low | 46.8 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -45.3 | 133.5 | 173.7 | -61.7 | -89.1 | -177.4 | 168.5 | 0 | 111.4 | L147 | K145-L147 PolarHBondContact O-N 2.98Š|
| 146 | H | 41.2 | Very low | 46.7 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -78.7 | 110.8 | 160.1 | -172.2 | -84.5 | 0 | 0 | 0 | 107.9 | | |
| 147 | L | 50.3 | Low | 46.1 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | | | trans | -75.4 | 136.7 | 166.1 | -75.1 | 171.2 | 0 | 0 | 0 | 109.5 | K145 | K145-L147 PolarHBondContact O-N 2.98Š|
| 148 | E | 40 | Very low | 46.5 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | 7.2 | 124.4 | 144 | -163.8 | 170.2 | -169.3 | 0 | 0 | 118.8 | | |
| 149 | A | 42.6 | Very low | 46.9 | Very low | 93 Ų | 93 | 154.4 Ų | 154.4 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | 169.1 | 105.3 | 137 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 150 | A | 40.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | | | trans | -126.2 | 83.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 151 | D | 42.5 | Very low | 47.1 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | | | trans | -70.8 | 114.3 | 166 | -179.8 | 12.7 | 0 | 0 | 0 | 109.1 | | |
| 152 | K | 56 | Low | 46.6 | Very low | 209 Ų | 209 | 150.4 Ų | 150.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -149.5 | 85.9 | 152.2 | -72.1 | -156.9 | 178.1 | -173.9 | 0 | 110.1 | | |
| 153 | G | 36.9 | Very low | 46 | Very low | 68 Ų | 68 | 150.6 Ų | 150.6 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | 30.2 | 126.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 154 | H | 41.7 | Very low | 45.7 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | | | | -148.4 | 133.3 | 119.9 | -156.8 | 58.2 | 0 | 0 | 0 | 110.4 | | |
| 155 | S | 50.9 | Low | 45.1 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 81% | 0.813 | S | S | * | * | | | trans | -60.5 | 156.4 | -174.4 | 43.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 156 | P | 50 | Low | 44.7 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -88.7 | 120.5 | 172.3 | 34.3 | -27.3 | 0 | 0 | 0 | 110.5 | | |
| 157 | A | 44 | Very low | 45.2 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -123 | 99.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 158 | Q | 45.2 | Very low | 45.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | trans | -89.5 | 150.6 | 167.6 | -77.7 | -173.7 | -32.6 | 0 | 0 | 110.7 | | |
| 159 | K | 49.7 | Very low | 45.8 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | | | trans | 104.3 | 158.3 | 159.9 | -57 | -169.2 | -179.3 | -178.4 | 0 | 116 | | |
| 160 | P | 56.8 | Low | 45.6 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | | | | -139 | 154.6 | -57.9 | 37.5 | -22.5 | 0 | 0 | 0 | 111.4 | | |
| 161 | K | 45.4 | Very low | 45.8 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | | | trans | -144.8 | 120.8 | 151.5 | -69.8 | -165.1 | -178.5 | 176.6 | 0 | 112.2 | | |
| 162 | T | 40.6 | Very low | 46.9 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -54.3 | 141.5 | 170.7 | 41.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 163 | S | 37.4 | Very low | 46.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | | -169.3 | 116 | 114 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 164 | S | 45.9 | Very low | 46.3 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -90.2 | 127.8 | 167.5 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 165 | G | 40.2 | Very low | 46.4 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 64.4 | 116.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 166 | T | 42.2 | Very low | 45.9 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -147.6 | 122.8 | 148.2 | -45.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 167 | K | 50.7 | Low | 45.7 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -83.6 | 155.5 | 165.1 | -64.2 | 177.4 | -177.1 | 175 | 0 | 109.2 | | |
| 168 | P | 52.8 | Low | 45.9 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | | -142.7 | 135.8 | 107.5 | 30.4 | -12.9 | 0 | 0 | 0 | 111.8 | | |
| 169 | S | 49.8 | Very low | 46 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | | 52 | 94.1 | 80.7 | -175.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 170 | V | 39.8 | Very low | 46.1 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -147.6 | 125 | 149.2 | -154.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 171 | K | 43.6 | Very low | 45.7 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -92.6 | -161.2 | 169 | -65.7 | 179.5 | 178.3 | 176.8 | 0 | 108.7 | | |
| 172 | P | 64.6 | Low | 45.8 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | | | | -124.2 | -179.6 | -65.1 | 32.8 | -15.6 | 0 | 0 | 0 | 111.2 | | |
| 173 | T | 40.9 | Very low | 45.7 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | 156.1 | 149 | 148.7 | 32.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 174 | S | 40.5 | Very low | 45.7 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 86% | 0.855 | S | S | * | * | | | cis | -179.5 | 145.6 | -23.6 | 46.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 175 | A | 44 | Very low | 45.7 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 86% | 0.856 | S | S | * | * | | | trans | 54.3 | 132.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 176 | T | 40.2 | Very low | 46 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 86% | 0.861 | S | S | * | * | | | | -160.7 | 145.3 | 64.4 | -45.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 177 | K | 44.7 | Very low | 46.2 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | | | trans | -51.6 | 155.3 | 171.5 | -63.7 | 165.2 | 171.7 | -179 | 0 | 110.8 | | |
| 178 | S | 48.1 | Very low | 46 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 86% | 0.86 | S | S | * | * | | | | -177.3 | 145.5 | 77.2 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 179 | D | 48.7 | Very low | 45.6 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 87% | 0.867 | S | S | * | * | | | trans | -64.9 | 154.4 | 167.7 | -83.6 | -63.8 | 0 | 0 | 0 | 114 | | |
| 180 | S | 52 | Low | 45.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 83% | 0.832 | 87% | 0.873 | S | S | * | * | | | | 155.4 | 144.4 | 106.8 | 52.1 | 0 | 0 | 0 | 0 | 114 | | |
| 181 | N | 48.5 | Very low | 45.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 87% | 0.874 | S | S | * | * | | | trans | -66.3 | 163.7 | 176.9 | -78.5 | -75.2 | 0 | 0 | 0 | 114 | | |
| 182 | L | 46.4 | Very low | 45.8 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 92% | 0.921 | 88% | 0.879 | S | S | * | * | | | trans | 146.8 | 119.3 | 145.3 | -76.7 | 164.7 | 0 | 0 | 0 | 107.1 | | |
| 183 | G | 39.2 | Very low | 44.3 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 86% | 0.856 | 89% | 0.893 | S | S | * | * | | | | 93.2 | 102.1 | 67.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 184 | G | 38 | Very low | 44.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 100% | 1.608 | 90% | 0.896 | S | S | * | * | | | trans | -174.2 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |