| 1 | H | 39.4 | Very low | 38.3 | Very low | 244 Ų | 244 | 160.7 Ų | 160.7 | 100% | 1.13 | 84% | 0.835 | S | S | * | * | | | | 0 | 146.7 | 0 | -64.9 | -83.3 | 0 | 0 | 0 | 110.3 | | |
| 2 | F | 34 | Very low | 38.3 | Very low | 209 Ų | 209 | 161.4 Ų | 161.4 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | | | trans | -78.1 | 126.7 | -169.6 | -154.4 | -99.4 | 0 | 0 | 0 | 111.5 | G4 | F2-G4 PolarHBondContact O-N 3.07Š|
| 3 | K | 39.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 163.9 Ų | 163.9 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | | | trans | -83.7 | 92.9 | 178.5 | -72.1 | -177.2 | 177.2 | 179.4 | 0 | 109.9 | G5 | K3-G5 PolarHBondContact O-N 3.12Š|
| 4 | G | 41.1 | Very low | 37.1 | Very low | 71 Ų | 71 | 165.9 Ų | 165.9 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | | | trans | -65 | 109.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2 A6 | F2-G4 PolarHBondContact O-N 3.07Å; G4-A6 PolarHBondContact O-N 2.87Å |
| 5 | G | 35.2 | Very low | 36.8 | Very low | 71 Ų | 71 | 166.5 Ų | 166.5 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | -71 | 121.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K3 R7 | K3-G5 PolarHBondContact O-N 3.12Å; G5-R7 PolarHBondContact O-N 2.99Å; G5-R7 VanDerWaalsContact O-N 3.12Å |
| 6 | A | 39.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 168.1 Ų | 168.1 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | | | trans | -67.1 | 108.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G4 K8 | G4-A6 PolarHBondContact O-N 2.87Å; A6-K8 PolarHBondContact O-N 3.26Å; A6-K8 VanDerWaalsContact O-N 3.08Å |
| 7 | R | 41.7 | Very low | 36.1 | Very low | 235 Ų | 235 | 164.2 Ų | 164.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | -69.8 | 100.7 | 167.5 | -76.1 | -175.6 | 171.9 | -177.1 | -2.3 | 109.4 | G5 F9 | G5-R7 PolarHBondContact O-N 2.99Å; G5-R7 VanDerWaalsContact O-N 3.12Å; R7-F9 PolarHBondContact O-N 2.87Å |
| 8 | K | 41.8 | Very low | 35.5 | Very low | 197 Ų | 197 | 160.4 Ų | 160.4 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -64.5 | 115.8 | 172 | -65.5 | 178.9 | 176.1 | 179.7 | 0 | 109.3 | A6 | A6-K8 PolarHBondContact O-N 3.26Å; A6-K8 VanDerWaalsContact O-N 3.08Å |
| 9 | F | 39.7 | Very low | 35.1 | Very low | 200 Ų | 200 | 159.5 Ų | 159.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 126.5 | 164.8 | -78 | -96.3 | 0 | 0 | 0 | 108.8 | R7 | R7-F9 PolarHBondContact O-N 2.87Š|
| 10 | L | 33.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 128.4 | 166.8 | -74 | 168 | 0 | 0 | 0 | 108.3 | I12 | L10-I12 PolarHBondContact O-N 3.5Š|
| 11 | P | 36.9 | Very low | 34.6 | Very low | 87 Ų | 87 | 160.6 Ų | 160.6 | 57% | 0.565 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.1 | -178.7 | 26.9 | -33.2 | 0 | 0 | 0 | 111 | Y13 | P11-Y13 HydrophobicContact CG-CD2 4.44Å; P11-Y13 HydrophobicContact CG-CE2 3.82Å; P11-Y13 WeakPolarHBondContact O-CD2 3.44Å; P11-Y13 PolarHBondContact O-N 2.89Å; P11-Y13 VanDerWaalsContact O-N 3.13Å |
| 12 | I | 37.9 | Very low | 34.4 | Very low | 169 Ų | 169 | 158 Ų | 158 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | trans | -78.7 | 97.1 | 172.6 | -59.4 | 173.3 | 0 | 0 | 0 | 107.5 | L10 Q14 | L10-I12 PolarHBondContact O-N 3.5Å; I12-Q14 PolarHBondContact O-N 3.23Å |
| 13 | Y | 29.6 | Very low | 34 | Very low | 194 Ų | 194 | 154 Ų | 154 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -63.6 | 123.7 | 174.5 | -73.8 | -91.4 | 0 | 0 | 0 | 110.5 | P11 K15 | P11-Y13 HydrophobicContact CG-CD2 4.44Å; P11-Y13 HydrophobicContact CG-CE2 3.82Å; P11-Y13 WeakPolarHBondContact O-CD2 3.44Å; P11-Y13 PolarHBondContact O-N 2.89Å; P11-Y13 VanDerWaalsContact O-N 3.13Å; Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.06Å |
| 14 | Q | 30.1 | Very low | 33.5 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 96.1 | 159.7 | -74 | -176.9 | -16 | 0 | 0 | 107.8 | I12 E16 | I12-Q14 PolarHBondContact O-N 3.23Å; Q14-E16 PolarHBondContact O-N 2.96Å |
| 15 | K | 32.3 | Very low | 32.9 | Very low | 175 Ų | 175 | 153 Ų | 153 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -88.1 | 81.4 | -179.9 | -152.2 | -163.6 | 179 | -164.5 | 0 | 109.8 | Y13 V17 | Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.06Å; K15-V17 HydrophobicContact CB-CG2 4.37Å; K15-V17 HydrophobicContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CE-CG2 3.47Å; K15-V17 HydrophobicContact CG-CG2 3.58Å; K15-V17 PolarHBondContact O-N 3.34Å |
| 16 | E | 29.7 | Very low | 32.6 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -61.1 | 118.9 | 157.7 | -64.8 | -169.5 | 151.6 | 0 | 0 | 107.6 | Q14 | Q14-E16 PolarHBondContact O-N 2.96Š|
| 17 | V | 32.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 158.4 Ų | 158.4 | 62% | 0.618 | 79% | 0.79 | S | S | * | * | | | trans | -123 | 111.5 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | K15 | K15-V17 HydrophobicContact CB-CG2 4.37Å; K15-V17 HydrophobicContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CD-CG2 3.48Å; K15-V17 VanDerWaalsContact CE-CG2 3.47Å; K15-V17 HydrophobicContact CG-CG2 3.58Å; K15-V17 PolarHBondContact O-N 3.34Å |
| 18 | S | 24.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -76.5 | 160.5 | 168.1 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 19 | E | 27.9 | Very low | 30.3 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | 69.9 | 120.2 | 164.6 | -46.8 | -151.8 | 133 | 0 | 0 | 118.2 | K21 | E19-K21 WeakPolarHBondContact OE1-CE 3.44Å; E19-K21 IonicContact OE1-NZ 3.05Å; E19-K21 PolarHBondContact OE1-NZ 2.96Å; E19-K21 IonicContact OE2-NZ 3.39Å; E19-K21 PolarHBondContact OE2-NZ 3.3Å |
| 20 | E | 35.2 | Very low | 29.7 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | | | trans | -138.5 | 145.3 | 130.2 | -117.3 | 166 | -148.9 | 0 | 0 | 107.8 | | |
| 21 | K | 25.8 | Very low | 29.7 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | | | trans | -137 | 115 | -171.3 | -65.2 | -178.9 | -173.8 | 106.3 | 0 | 111.7 | E19 | E19-K21 WeakPolarHBondContact OE1-CE 3.44Å; E19-K21 IonicContact OE1-NZ 3.05Å; E19-K21 PolarHBondContact OE1-NZ 2.96Å; E19-K21 IonicContact OE2-NZ 3.39Å; E19-K21 PolarHBondContact OE2-NZ 3.3Å |
| 22 | E | 34.7 | Very low | 29.2 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -145.1 | 127.6 | 152.3 | -69.6 | -166.4 | 126.3 | 0 | 0 | 106.1 | | |
| 23 | V | 24.7 | Very low | 28.6 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | cis | 77.6 | 137.8 | 21.1 | -165.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 24 | V | 30.1 | Very low | 28.5 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 86.5 | 124.8 | -169.8 | -177.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 25 | V | 28.4 | Very low | 28.4 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | | | cis | -161.7 | 175 | -23.2 | 96 | 0 | 0 | 0 | 0 | 111.5 | | |
| 26 | K | 28.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -11 | 141 | 164.8 | -52.5 | 152.9 | -172.9 | 178.9 | 0 | 117.4 | | |
| 27 | G | 24.9 | Very low | 28 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | | | cis | 140.9 | 138.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 28 | G | 26.5 | Very low | 27.9 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -170 | 158.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 29 | C | 23.9 | Very low | 28.3 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 97% | 0.966 | 78% | 0.775 | S | S | * | * | | | trans | -130.3 | 145 | -166.4 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 30 | G | 26.6 | Very low | 28.4 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | 164.9 | 135.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 31 | A | 34 | Very low | 28.2 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 62.1 | 146.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 32 | K | 26 | Very low | 28.5 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | cis | 70.2 | 143.4 | 21.6 | -70.4 | 171.2 | 152 | -78.7 | 0 | 114.1 | | |
| 33 | E | 25.5 | Very low | 28.1 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | cis | -149.3 | 179.5 | 0.3 | -146.9 | 140.5 | 135 | 0 | 0 | 112.1 | | |
| 34 | E | 26.3 | Very low | 28.4 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | -25 | 149.5 | 175.1 | -67.9 | 173.8 | 160.4 | 0 | 0 | 123.4 | | |
| 35 | E | 28.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | | | trans | 41 | 120.3 | 130.7 | -154.3 | -147.7 | 154.2 | 0 | 0 | 120.8 | | |
| 36 | K | 27.5 | Very low | 28.3 | Very low | 190 Ų | 190 | 149 Ų | 149 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | -153.7 | 110.2 | 138.9 | -104 | 122.4 | -157.8 | 149.3 | 0 | 114.9 | | |
| 37 | K | 27 | Very low | 28.4 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | | 50.2 | 140.5 | 123.4 | -62.6 | -175.9 | 178.5 | 180 | 0 | 121.5 | | |
| 38 | E | 28.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 148.7 Ų | 148.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -58.8 | 141.9 | 175.5 | -52.7 | 172.2 | 118.5 | 0 | 0 | 113.6 | R40 | E38-R40 PolarHBondContact O-N 3.08Š|
| 39 | P | 35 | Very low | 29.2 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -75.3 | 93.3 | 167 | 31.3 | -32.6 | 0 | 0 | 0 | 110.4 | E41 | P39-E41 PolarHBondContact O-N 3.36Š|
| 40 | R | 29.6 | Very low | 29.8 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -55.9 | 132.6 | 168 | -97.8 | -174.5 | 170.9 | -173.9 | -2.9 | 110.8 | E38 K42 | E38-R40 PolarHBondContact O-N 3.08Å; R40-K42 PolarHBondContact O-N 2.98Å |
| 41 | E | 31.5 | Very low | 30.2 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | -57.7 | 124.1 | 177.5 | -58.2 | 179.4 | 133.4 | 0 | 0 | 111.7 | P39 | P39-E41 PolarHBondContact O-N 3.36Š|
| 42 | K | 31.2 | Very low | 30.3 | Very low | 203 Ų | 203 | 153.7 Ų | 153.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -106.5 | 124.3 | 161.6 | -79 | -170.5 | 173.5 | -176.9 | 0 | 108.8 | R40 | R40-K42 PolarHBondContact O-N 2.98Š|
| 43 | R | 26.6 | Very low | 31 | Very low | 241 Ų | 241 | 154.8 Ų | 154.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -68 | 145.1 | -171.5 | -63.4 | 176.2 | -179 | 170.7 | -1.7 | 111.7 | | |
| 44 | C | 29.8 | Very low | 31.5 | Very low | 136 Ų | 136 | 152 Ų | 152 | 92% | 0.919 | 80% | 0.8 | S | S | * | * | | | trans | -68.8 | 133.3 | 171.6 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 45 | S | 30.6 | Very low | 32 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -113.9 | 127.6 | 162.5 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 46 | G | 26 | Very low | 32.3 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 123.8 | 96.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K48 | G46-K48 PolarHBondContact O-N 3.19Š|
| 47 | G | 30.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -78.8 | 108.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 48 | K | 35.2 | Very low | 33.4 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -128.7 | 141 | 139.1 | -73.8 | -175.9 | 178.1 | 174.6 | 0 | 107.1 | G46 C50 | G46-K48 PolarHBondContact O-N 3.19Å; K48-C50 PolarHBondContact O-N 3.13Å |
| 49 | S | 32.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -65.5 | 102.1 | -175.5 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | D51 | S49-D51 PolarHBondContact O-N 3.38Š|
| 50 | C | 35.9 | Very low | 34.3 | Very low | 91 Ų | 91 | 133 Ų | 133 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -66.9 | 97.6 | 168.4 | -61.2 | 0 | 0 | 0 | 0 | 108.1 | K48 L52 | K48-C50 PolarHBondContact O-N 3.13Å; C50-L52 HydrophobicContact CB-CG 4.45Å; C50-L52 PolarHBondContact O-N 3.07Å |
| 51 | D | 36.2 | Very low | 34.8 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | -63.8 | 80.6 | 170.8 | -78 | -13.8 | 0 | 0 | 0 | 109.4 | S49 R53 | S49-D51 PolarHBondContact O-N 3.38Å; D51-R53 PolarHBondContact O-N 2.89Å |
| 52 | L | 36.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 122.5 Ų | 122.5 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | | | trans | -68.8 | 79.4 | 176 | -73.3 | 170.8 | 0 | 0 | 0 | 109.1 | C50 G54 | C50-L52 HydrophobicContact CB-CG 4.45Å; C50-L52 PolarHBondContact O-N 3.07Å; L52-G54 PolarHBondContact O-N 3.14Å |
| 53 | R | 39.1 | Very low | 36 | Very low | 199 Ų | 199 | 119.8 Ų | 119.8 | 75% | 0.751 | 70% | 0.698 | S | S | * | * | | | trans | -67.4 | 78 | 171.2 | -62.4 | -178.5 | -166.2 | -179.7 | 5.5 | 108.8 | D51 V55 | D51-R53 PolarHBondContact O-N 2.89Å; R53-V55 PolarHBondContact O-N 3.5Å |
| 54 | G | 36 | Very low | 36.5 | Very low | 74 Ų | 74 | 113 Ų | 113 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | | | trans | -52.5 | 113.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L52 | L52-G54 PolarHBondContact O-N 3.14Š|
| 55 | V | 38.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 108.2 Ų | 108.2 | 43% | 0.43 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 137.4 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | R53 Y59 | R53-V55 PolarHBondContact O-N 3.5Å; V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 HydrophobicContact CG1-CE2 4.19Å |
| 56 | G | 33.5 | Very low | 38.6 | Very low | 42 Ų | 42 | 113.3 Ų | 113.3 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 164.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G58 | G56-G58 PolarHBondContact O-N 3.22Š|
| 57 | P | 33.6 | Very low | 40.4 | Very low | 146 Ų | 146 | 116.1 Ų | 116.1 | 95% | 0.948 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 128 | -173.2 | 22.8 | -34.2 | 0 | 0 | 0 | 112 | | |
| 58 | G | 44 | Very low | 41.3 | Very low | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.4 | -11.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G56 | G56-G58 PolarHBondContact O-N 3.22Š|
| 59 | Y | 36.6 | Very low | 42.2 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 28% | 0.278 | 62% | 0.616 | S | S | . | * | | | trans | -122.9 | 118.2 | 174.5 | -55.1 | -88.3 | 0 | 0 | 0 | 110.1 | V55 S62 F70 R75 | V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 HydrophobicContact CG1-CE2 4.19Å; Y59-S62 WeakPolarHBondContact CB-OG 3.3Å; Y59-F70 HydrophobicContact CE1-CZ 4.33Å; Y59-R75 HydrophobicContact CE1-CG 4.14Å; Y59-R75 PolarHBondContact OH-NE 3.47Å; Y59-R75 VanDerWaalsContact OH-NE 3.08Å; Y59-R75 PolarHBondContact OH-NH2 3.16Å |
| 60 | E | 46.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 112 Ų | 112 | 76% | 0.757 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -81 | -19.1 | -171.5 | -164 | 166.3 | -158.6 | 0 | 0 | 113.4 | K76 | E60-K76 IonicContact OE2-NZ 2.71Å; E60-K76 PolarHBondContact OE2-NZ 2.75Å |
| 61 | K | 40.2 | Very low | 43.2 | Very low | 175 Ų | 175 | 113.4 Ų | 113.4 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -154.6 | 117.2 | 159.2 | -89.9 | 116.2 | -176.1 | 178.4 | 0 | 108.2 | | |
| 62 | S | 44.9 | Very low | 43.7 | Very low | 29 Ų | 29 | 108.9 Ų | 108.9 | 20% | 0.203 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.9 | 109.5 | 168.1 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | Y59 | Y59-S62 WeakPolarHBondContact CB-OG 3.3Å |
| 63 | Y | 42.6 | Very low | 44 | Very low | 147 Ų | 147 | 103.7 Ų | 103.7 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 158.2 | 168.8 | 51.6 | -90.2 | 0 | 0 | 0 | 109.8 | K71 | Y63-K71 HydrophobicContact CE2-CD 4.43Å |
| 64 | L | 37.6 | Very low | 44.1 | Very low | 97 Ų | 97 | 99 Ų | 99 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.1 | 163.7 | -68.1 | 164.6 | 0 | 0 | 0 | 107.1 | F70 | L64-F70 HydrophobicContact CD2-CB 4.26Å; L64-F70 HydrophobicContact CD2-CD2 4.35Å |
| 65 | D | 54.9 | Low | 44.4 | Very low | 36 Ų | 36 | 103.7 Ų | 103.7 | 19% | 0.193 | 57% | 0.565 | C | S | . | * | | | trans | -66 | 162.6 | 166.5 | -62.1 | -52.7 | 0 | 0 | 0 | 110 | D67 G68 H69 K71 | D65-D67 PolarHBondContact O-N 2.9Å; D65-D67 VanDerWaalsContact O-N 3.17Å; D65-G68 WeakPolarHBondContact O-CA 3.08Å; D65-G68 PolarHBondContact O-N 3.2Å; D65-H69 HydrophobicContact CB-CB 4.4Å; D65-H69 PolarHBondContact N-O 3.32Å; D65-K71 IonicContact OD1-NZ 3.92Å; D65-K71 PolarHBondContact OD1-NZ 2.74Å; D65-K71 VanDerWaalsContact OD2-CD 3.3Å; D65-K71 WeakPolarHBondContact OD2-CD 3.38Å; D65-K71 WeakPolarHBondContact OD2-CE 3.38Å; D65-K71 IonicContact OD2-NZ 2.66Å; D65-K71 PolarHBondContact OD2-NZ 3.36Å |
| 66 | Y | 49.9 | Very low | 44.4 | Very low | 229 Ų | 229 | 108.8 Ų | 108.8 | 90% | 0.898 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -31.7 | 176.4 | -75.1 | -79.7 | 0 | 0 | 0 | 113.1 | G68 | Y66-G68 PolarHBondContact O-N 3.04Å; Y66-G68 VanDerWaalsContact O-N 3.17Å |
| 67 | D | 64.1 | Low | 44.7 | Very low | 137 Ų | 137 | 115.5 Ų | 115.5 | 73% | 0.733 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 13.8 | 174.1 | -52.9 | -58.8 | 0 | 0 | 0 | 113.6 | D65 H69 | D65-D67 PolarHBondContact O-N 2.9Å; D65-D67 VanDerWaalsContact O-N 3.17Å; D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 PolarHBondContact O-ND1 3.33Å |
| 68 | G | 49.9 | Very low | 44.6 | Very low | 52 Ų | 52 | 116.2 Ų | 116.2 | 54% | 0.536 | 59% | 0.594 | S | S | . | * | | | trans | 71.1 | 7.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | D65 Y66 | D65-G68 WeakPolarHBondContact O-CA 3.08Å; D65-G68 PolarHBondContact O-N 3.2Å; Y66-G68 PolarHBondContact O-N 3.04Å; Y66-G68 VanDerWaalsContact O-N 3.17Å |
| 69 | H | 53.4 | Low | 44.1 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | | | trans | -77.7 | 133.9 | -176.5 | -74.2 | 57.7 | 0 | 0 | 0 | 111.6 | D65 D67 | D65-H69 HydrophobicContact CB-CB 4.4Å; D65-H69 PolarHBondContact N-O 3.32Å; D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 PolarHBondContact O-ND1 3.33Å |
| 70 | F | 42 | Very low | 44.3 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.8 | -175.7 | 176.9 | -96.9 | 0 | 0 | 0 | 112 | Y59 L64 | Y59-F70 HydrophobicContact CE1-CZ 4.33Å; L64-F70 HydrophobicContact CD2-CB 4.26Å; L64-F70 HydrophobicContact CD2-CD2 4.35Å |
| 71 | K | 47.8 | Very low | 43.5 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 62.3 | 172.3 | -71.4 | 177.4 | -177.6 | 145.1 | 0 | 111.2 | Y63 D65 | Y63-K71 HydrophobicContact CE2-CD 4.43Å; D65-K71 IonicContact OD1-NZ 3.92Å; D65-K71 PolarHBondContact OD1-NZ 2.74Å; D65-K71 VanDerWaalsContact OD2-CD 3.3Å; D65-K71 WeakPolarHBondContact OD2-CD 3.38Å; D65-K71 WeakPolarHBondContact OD2-CE 3.38Å; D65-K71 IonicContact OD2-NZ 2.66Å; D65-K71 PolarHBondContact OD2-NZ 3.36Å |
| 72 | G | 46.1 | Very low | 43 | Very low | 25 Ų | 25 | 123.7 Ų | 123.7 | 26% | 0.258 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 130 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 73 | G | 43 | Very low | 42.5 | Very low | 50 Ų | 50 | 131 Ų | 131 | 52% | 0.515 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 160.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R75 | G73-R75 PolarHBondContact O-N 3.19Š|
| 74 | A | 40.8 | Very low | 41.9 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | K76 | A74-K76 PolarHBondContact O-N 2.68Š|
| 75 | R | 42.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 119 | 176.6 | -67.8 | -177.8 | 179.8 | 167.4 | 3.4 | 110.7 | Y59 G73 F77 | Y59-R75 HydrophobicContact CE1-CG 4.14Å; Y59-R75 PolarHBondContact OH-NE 3.47Å; Y59-R75 VanDerWaalsContact OH-NE 3.08Å; Y59-R75 PolarHBondContact OH-NH2 3.16Å; G73-R75 PolarHBondContact O-N 3.19Å; R75-F77 PolarHBondContact O-N 2.71Å |
| 76 | K | 39.7 | Very low | 40.5 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | | | trans | -72 | 114.1 | 164 | -65.3 | 170.4 | -176.6 | 163.2 | 0 | 108 | E60 A74 | E60-K76 IonicContact OE2-NZ 2.71Å; E60-K76 PolarHBondContact OE2-NZ 2.75Å; A74-K76 PolarHBondContact O-N 2.68Å |
| 77 | F | 39.3 | Very low | 39.8 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 133.2 | 168.8 | -74.1 | -96.4 | 0 | 0 | 0 | 109 | R75 | R75-F77 PolarHBondContact O-N 2.71Š|
| 78 | L | 32.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.6 | 170.7 | -69.8 | 170.1 | 0 | 0 | 0 | 109.5 | | |
| 79 | P | 32.9 | Very low | 37.4 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 58% | 0.584 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.2 | -177.6 | 27.3 | -34 | 0 | 0 | 0 | 111.6 | Y81 | P79-Y81 HydrophobicContact CB-CE2 4.49Å; P79-Y81 HydrophobicContact CG-CE2 3.96Å |
| 80 | I | 40.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 73% | 0.726 | S | S | * | * | | | trans | -88.4 | 110 | 176.6 | -57.1 | 174.6 | 0 | 0 | 0 | 108.2 | Q82 | I80-Q82 PolarHBondContact O-N 2.64Š|
| 81 | Y | 29.9 | Very low | 35.7 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | | | trans | -81.1 | 104.9 | 175.7 | -66.8 | -91.8 | 0 | 0 | 0 | 110.3 | P79 K83 | P79-Y81 HydrophobicContact CB-CE2 4.49Å; P79-Y81 HydrophobicContact CG-CE2 3.96Å; Y81-K83 PolarHBondContact O-N 3.47Å |
| 82 | Q | 29.4 | Very low | 34.8 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -77.4 | 105.8 | 165 | -77 | -175.5 | -39.3 | 0 | 0 | 109.4 | I80 Q84 | I80-Q82 PolarHBondContact O-N 2.64Å; Q82-Q84 PolarHBondContact O-N 3.14Å |
| 83 | K | 34 | Very low | 33.7 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -87.5 | 103.9 | 171 | -170.6 | -177.5 | -178.3 | -170.8 | 0 | 108.6 | Y81 | Y81-K83 PolarHBondContact O-N 3.47Š|
| 84 | Q | 29.5 | Very low | 33 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -69.4 | 130.6 | 170.8 | -69 | 178.7 | -18.3 | 0 | 0 | 109.1 | Q82 | Q82-Q84 PolarHBondContact O-N 3.14Š|
| 85 | I | 32.5 | Very low | 32.1 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | trans | -115 | 129.8 | 170 | -61.7 | 176.4 | 0 | 0 | 0 | 106.1 | E87 | I85-E87 HydrophobicContact CG2-CG 4Å; I85-E87 WeakPolarHBondContact CG2-OE1 3.39Å |
| 86 | S | 30.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -113.7 | 106 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 87 | E | 35.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | | | trans | -119.2 | 140.2 | 177 | -76.7 | 170.3 | -164.6 | 0 | 0 | 109.8 | I85 | I85-E87 HydrophobicContact CG2-CG 4Å; I85-E87 WeakPolarHBondContact CG2-OE1 3.39Å |
| 88 | E | 29.5 | Very low | 29.8 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | | | trans | -95.1 | 130.8 | -161 | -60.9 | -178.7 | 134.7 | 0 | 0 | 110.5 | E90 | E88-E90 PolarHBondContact O-N 3.24Š|
| 89 | K | 34.2 | Very low | 29.5 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | trans | -88.7 | 97.7 | -175.7 | -68 | -172.1 | 178.1 | -174.1 | 0 | 111.4 | | |
| 90 | E | 29.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -92.1 | 127.9 | 158.5 | -166.1 | 163.7 | -132.4 | 0 | 0 | 109.2 | E88 | E88-E90 PolarHBondContact O-N 3.24Š|
| 91 | I | 30 | Very low | 28.7 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | | | trans | -131 | 116.4 | -174.9 | -59 | 176.7 | 0 | 0 | 0 | 109.3 | V93 | I91-V93 HydrophobicContact CG2-CG2 4.16Š|
| 92 | V | 29.1 | Very low | 28.6 | Very low | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | | | trans | -119.2 | 141.7 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 93 | V | 24.4 | Very low | 28.9 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | | | trans | -125.2 | 128.3 | -164.3 | 178 | 0 | 0 | 0 | 0 | 112.2 | I91 | I91-V93 HydrophobicContact CG2-CG2 4.16Š|
| 94 | K | 26.6 | Very low | 28.6 | Very low | 210 Ų | 210 | 129 Ų | 129 | 91% | 0.913 | 67% | 0.666 | S | S | * | * | | | trans | 161.7 | 138.2 | 149.9 | -87.3 | 146.5 | -168.5 | 173 | 0 | 110.1 | | |
| 95 | G | 22.9 | Very low | 28.4 | Very low | 47 Ų | 47 | 127.4 Ų | 127.4 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | | | cis | 148.4 | 141.6 | -17.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 96 | G | 22.3 | Very low | 28.3 | Very low | 31 Ų | 31 | 128.5 Ų | 128.5 | 32% | 0.32 | 66% | 0.655 | S | S | . | * | | | trans | 112.2 | 125.6 | 159 | 0 | 0 | 0 | 0 | 0 | 120.7 | V156 V158 | G96-V156 CarbonylContact O-C 2.86Å; G96-V156 WeakPolarHBondContact O-CB 3.38Å; G96-V156 WeakPolarHBondContact O-CG1 3.39Å; G96-V158 WeakPolarHBondContact O-CG2 3.41Å; G96-V158 PolarHBondContact O-N 3Å |
| 97 | A | 22.8 | Very low | 28.2 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | | | trans | 60.4 | 155.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | V158 | A97-V158 HydrophobicContact CB-CG2 4.25Š|
| 98 | K | 27.6 | Very low | 28.4 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 66% | 0.66 | S | S | * | * | | | cis | -176.1 | 178.3 | -32.5 | -142 | -177.8 | -176.8 | -173.2 | 0 | 110 | | |
| 99 | E | 26.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | | | trans | 70.4 | 156.9 | 166.7 | -67.4 | -176.9 | 152.2 | 0 | 0 | 117.9 | | |
| 100 | E | 26.8 | Very low | 27.9 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | | | cis | -146.9 | -145.3 | -41.1 | -143.6 | -165.8 | -141.6 | 0 | 0 | 111.1 | K165 | E100-K165 WeakPolarHBondContact OE2-CA 3.4Š|
| 101 | K | 30 | Very low | 27.6 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | | | trans | -135.3 | 157.6 | -152.1 | -94 | -174.5 | 145.5 | -163.2 | 0 | 117.1 | K165 E166 E167 E168 | K101-K165 CarbonylContact O-C 3.42Å; K101-K165 VanDerWaalsContact O-CA 3.25Å; K101-K165 WeakPolarHBondContact O-CA 3.49Å; K101-K165 PolarHBondContact O-N 2.72Å; K101-E166 PolarHBondContact O-N 3.17Å; K101-E166 VanDerWaalsContact O-N 3.14Å; K101-E167 HydrophobicContact CB-CB 3.59Å; K101-E167 HydrophobicContact CD-CB 3.77Å; K101-E167 WeakPolarHBondContact CE-O 3.37Å; K101-E167 HydrophobicContact CG-CB 3.69Å; K101-E167 PolarHBondContact NZ-O 2.86Å; K101-E168 IonicContact NZ-OE1 2.59Å; K101-E168 PolarHBondContact NZ-OE1 3.41Å |
| 102 | K | 28.5 | Very low | 27.6 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 47% | 0.474 | 66% | 0.662 | S | S | . | * | | | trans | -157.7 | 134.6 | 167.6 | -147.1 | 53.4 | -105.3 | 143.4 | 0 | 113.1 | K165 E166 E167 | K102-K165 WeakPolarHBondContact CD-O 3.07Å; K102-K165 PolarHBondContact NZ-O 3.45Å; K102-E166 WeakPolarHBondContact CA-O 3.28Å; K102-E166 WeakPolarHBondContact CE-O 3.39Å; K102-E166 PolarHBondContact N-O 2.66Å; K102-E166 PolarHBondContact NZ-O 3.07Å; K102-E166 IonicContact NZ-OE2 2.68Å; K102-E166 PolarHBondContact NZ-OE2 3.23Å; K102-E167 VanDerWaalsContact C-OE1 3.27Å |
| 103 | E | 35.4 | Very low | 27.6 | Very low | 28 Ų | 28 | 125.8 Ų | 125.8 | 13% | 0.131 | 67% | 0.668 | C | S | . | * | | | cis | 102.7 | 46.6 | 0.9 | -63.3 | -126.9 | 172.7 | 0 | 0 | 118.1 | R105 E166 E167 E168 K169 | E103-R105 VanDerWaalsContact CD-N 3.3Å; E103-R105 VanDerWaalsContact OE1-CG 3.28Å; E103-R105 WeakPolarHBondContact OE1-CG 3.43Å; E103-R105 PolarHBondContact OE1-N 3.37Å; E103-E166 WeakPolarHBondContact CA-O 3.5Å; E103-E167 VanDerWaalsContact CB-OE1 3.31Å; E103-E167 WeakPolarHBondContact CB-OE1 3.25Å; E103-E167 WeakPolarHBondContact CG-OE1 3.4Å; E103-E167 PolarHBondContact N-OE1 3.46Å; E103-E168 WeakPolarHBondContact CG-O 3.42Å; E103-K169 VanDerWaalsContact CD-NZ 3.26Å; E103-K169 WeakPolarHBondContact OE1-CB 3.46Å; E103-K169 WeakPolarHBondContact OE1-CD 3.43Å; E103-K169 IonicContact OE1-NZ 2.72Å; E103-K169 WeakPolarHBondContact OE2-CE 3.32Å; E103-K169 IonicContact OE2-NZ 3.55Å; E103-K169 PolarHBondContact OE2-NZ 3.01Å |
| 104 | P | 27.5 | Very low | 27.9 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | | | | -152 | 142.1 | 111.6 | 35.4 | -17 | 0 | 0 | 0 | 117.4 | | |
| 105 | R | 25.6 | Very low | 28.3 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | | | trans | -9.2 | 151.1 | 131.3 | -88.7 | 157 | 119.5 | 176.2 | -4.1 | 116 | E103 K169 | E103-R105 VanDerWaalsContact CD-N 3.3Å; E103-R105 VanDerWaalsContact OE1-CG 3.28Å; E103-R105 WeakPolarHBondContact OE1-CG 3.43Å; E103-R105 PolarHBondContact OE1-N 3.37Å; R105-K169 HydrophobicContact CG-CD 4.46Å |
| 106 | E | 28.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | | | cis | -154.3 | -172.3 | 25.3 | -150.9 | 149.2 | -133.8 | 0 | 0 | 113.8 | | |
| 107 | K | 29.2 | Very low | 29.9 | Very low | 174 Ų | 174 | 129 Ų | 129 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | | | trans | -66.8 | 147.8 | -174 | -51.4 | 162.6 | -172.6 | 163.9 | 0 | 113.4 | | |
| 108 | R | 39.1 | Very low | 30.7 | Very low | 252 Ų | 252 | 135.8 Ų | 135.8 | 95% | 0.951 | 71% | 0.709 | S | S | * | * | | | trans | -127.2 | 118.3 | 145.1 | -76.5 | -174 | 172.7 | 170.6 | -1.1 | 110.3 | | |
| 109 | T | 27 | Very low | 31 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | | | trans | -121.6 | 92.7 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | C | 26.6 | Very low | 31.7 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 91% | 0.912 | 70% | 0.703 | S | S | * | * | | | trans | -168 | 142 | 162.7 | -164.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 111 | G | 23.5 | Very low | 32 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | | | cis | 163.7 | 121.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 112 | G | 29.4 | Very low | 32.2 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | | | trans | -172.4 | 125 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 113 | K | 30 | Very low | 32.8 | Very low | 221 Ų | 221 | 124.7 Ų | 124.7 | 96% | 0.961 | 74% | 0.735 | S | S | * | * | | | trans | -96.3 | 146 | 176.6 | -68.7 | 175.6 | 178.1 | 174.7 | 0 | 109.7 | | |
| 114 | G | 29.7 | Very low | 32.8 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | 93 | 84.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 115 | C | 35.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | | | trans | -162.6 | 100.6 | 142.3 | -106.2 | 0 | 0 | 0 | 0 | 108 | L117 | C115-L117 PolarHBondContact O-N 3.23Š|
| 116 | D | 40 | Very low | 34.1 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -75.9 | 42.1 | 179.1 | -99.8 | -84.4 | 0 | 0 | 0 | 112.7 | R118 | D116-R118 PolarHBondContact O-N 3.22Å; D116-R118 IonicContact OD1-CZ 2.83Å; D116-R118 IonicContact OD1-NE 3.36Å; D116-R118 PolarHBondContact OD1-NE 3.02Å; D116-R118 IonicContact OD1-NH2 2.93Å; D116-R118 PolarHBondContact OD1-NH2 3.43Å |
| 117 | L | 38.4 | Very low | 34.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | trans | -73.8 | 73.1 | 171.9 | -70.5 | 177.6 | 0 | 0 | 0 | 110.2 | C115 G119 | C115-L117 PolarHBondContact O-N 3.23Å; L117-G119 PolarHBondContact O-N 2.77Å |
| 118 | R | 38.9 | Very low | 35.3 | Very low | 205 Ų | 205 | 130 Ų | 130 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | -72.5 | 71.3 | 166.2 | -61.6 | -179.4 | -162.7 | -119.8 | -4.8 | 109.3 | D116 V120 | D116-R118 PolarHBondContact O-N 3.22Å; D116-R118 IonicContact OD1-CZ 2.83Å; D116-R118 IonicContact OD1-NE 3.36Å; D116-R118 PolarHBondContact OD1-NE 3.02Å; D116-R118 IonicContact OD1-NH2 2.93Å; D116-R118 PolarHBondContact OD1-NH2 3.43Å; R118-V120 PolarHBondContact O-N 2.72Å |
| 119 | G | 33.7 | Very low | 35 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | | | trans | -55.9 | 106.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | L117 G121 | L117-G119 PolarHBondContact O-N 2.77Å; G119-G121 PolarHBondContact O-N 3.49Å |
| 120 | V | 41.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 66% | 0.655 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 127.9 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 106.8 | R118 Y124 | R118-V120 PolarHBondContact O-N 2.72Å; V120-Y124 HydrophobicContact CG1-CD2 3.77Å; V120-Y124 HydrophobicContact CG1-CE2 4.39Å; V120-Y124 HydrophobicContact CG1-CG 4.33Å |
| 121 | G | 33.9 | Very low | 36.9 | Very low | 43 Ų | 43 | 128.5 Ų | 128.5 | 44% | 0.443 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 161.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G119 G123 | G119-G121 PolarHBondContact O-N 3.49Å; G121-G123 PolarHBondContact O-N 2.74Å |
| 122 | P | 33.6 | Very low | 38.2 | Very low | 147 Ų | 147 | 129 Ų | 129 | 96% | 0.955 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 126.9 | -178.2 | 24.2 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 123 | G | 41 | Very low | 38.9 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.5 | -12.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G121 | G121-G123 PolarHBondContact O-N 2.74Š|
| 124 | Y | 36.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | | | trans | -117.5 | 99.9 | 172.8 | -65.5 | -85.3 | 0 | 0 | 0 | 111.3 | V120 K126 | V120-Y124 HydrophobicContact CG1-CD2 3.77Å; V120-Y124 HydrophobicContact CG1-CE2 4.39Å; V120-Y124 HydrophobicContact CG1-CG 4.33Å; Y124-K126 PolarHBondContact O-N 3.27Å |
| 125 | E | 40.7 | Very low | 40.3 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | | | trans | -70.2 | 121.9 | 159.5 | -83.3 | -151.1 | 90.4 | 0 | 0 | 110.1 | S127 | E125-S127 PolarHBondContact O-N 3.39Š|
| 126 | K | 39.6 | Very low | 40.7 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | | | trans | 57.5 | 45.3 | 148.7 | -61.5 | 166.9 | -176 | 139.5 | 0 | 116.5 | Y124 Y128 | Y124-K126 PolarHBondContact O-N 3.27Å; K126-Y128 HydrophobicContact CB-CD2 4.36Å; K126-Y128 HydrophobicContact CB-CE2 3.78Å; K126-Y128 HydrophobicContact CG-CE2 4.07Å; K126-Y128 PolarHBondContact O-N 3.25Å |
| 127 | S | 40.1 | Very low | 41.1 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 52% | 0.517 | 69% | 0.693 | S | S | . | * | | | trans | -84.9 | 91 | 161.7 | 63.2 | 0 | 0 | 0 | 0 | 111 | E125 | E125-S127 PolarHBondContact O-N 3.39Š|
| 128 | Y | 42.9 | Very low | 41.4 | Very low | 192 Ų | 192 | 124.9 Ų | 124.9 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | | | trans | -82.7 | 155.4 | 172.1 | -61.6 | -81 | 0 | 0 | 0 | 111.6 | K126 | K126-Y128 HydrophobicContact CB-CD2 4.36Å; K126-Y128 HydrophobicContact CB-CE2 3.78Å; K126-Y128 HydrophobicContact CG-CE2 4.07Å; K126-Y128 PolarHBondContact O-N 3.25Å |
| 129 | L | 31.7 | Very low | 41.5 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | | | trans | -97.2 | 112.6 | 171.8 | -84 | 163.2 | 0 | 0 | 0 | 109.5 | | |
| 130 | D | 44.5 | Very low | 41.9 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 49% | 0.492 | 70% | 0.695 | S | S | . | * | | | trans | -60.2 | 140.3 | 166.4 | -72.8 | -19.1 | 0 | 0 | 0 | 109.6 | A132 G133 | D130-A132 PolarHBondContact O-N 3.29Å; D130-G133 PolarHBondContact O-N 3.33Å |
| 131 | Y | 49.1 | Very low | 42 | Very low | 254 Ų | 254 | 130.9 Ų | 130.9 | 100% | 0.996 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -18.2 | -176.4 | -121.7 | -93.7 | 0 | 0 | 0 | 114.5 | | |
| 132 | A | 51.7 | Low | 42.6 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 9.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D130 K134 | D130-A132 PolarHBondContact O-N 3.29Å; A132-K134 PolarHBondContact O-N 3.26Å |
| 133 | G | 44.2 | Very low | 42.7 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | | | trans | 72.4 | 13.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | D130 | D130-G133 PolarHBondContact O-N 3.33Š|
| 134 | K | 47.1 | Very low | 42.6 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | | | trans | -97.2 | 110.9 | -177.9 | -69.7 | -178.5 | -179.3 | 176.6 | 0 | 111.8 | A132 K136 | A132-K134 PolarHBondContact O-N 3.26Å; K134-K136 PolarHBondContact O-N 3.19Å |
| 135 | F | 42.1 | Very low | 43.1 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | trans | -69 | 118.4 | -179.4 | -177.5 | -94.4 | 0 | 0 | 0 | 112.6 | | |
| 136 | K | 43.7 | Very low | 42.6 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | | | trans | -114.6 | 50.8 | 173.4 | -70.9 | 179.3 | 177.9 | 168.4 | 0 | 112.3 | K134 | K134-K136 PolarHBondContact O-N 3.19Š|
| 137 | G | 49 | Very low | 42.2 | Very low | 37 Ų | 37 | 143.6 Ų | 143.6 | 38% | 0.381 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 130.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 138 | G | 43.3 | Very low | 41.9 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 161.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R140 | G138-R140 PolarHBondContact O-N 3.13Š|
| 139 | A | 40.9 | Very low | 41.4 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 131 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K141 | A139-K141 PolarHBondContact O-N 3.12Š|
| 140 | R | 42 | Very low | 41.4 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.4 | 175.3 | -75.6 | 179.3 | 165.6 | -177.2 | -5.9 | 111 | G138 | G138-R140 PolarHBondContact O-N 3.13Š|
| 141 | K | 43.7 | Very low | 40.8 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.7 | 157.9 | -64.8 | -178.1 | -179.2 | 179.2 | 0 | 108 | A139 | A139-K141 PolarHBondContact O-N 3.12Š|
| 142 | F | 45.8 | Very low | 40 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 124.8 | 170.1 | -71.6 | -96.8 | 0 | 0 | 0 | 108.6 | | |
| 143 | L | 35.6 | Very low | 39 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.5 | 163.4 | -71.1 | 174.3 | 0 | 0 | 0 | 108.7 | I145 | L143-I145 PolarHBondContact O-N 3.26Š|
| 144 | P | 40.8 | Very low | 38.5 | Very low | 91 Ų | 91 | 149 Ų | 149 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.6 | 176.1 | -25.7 | 35.1 | 0 | 0 | 0 | 111.8 | Y146 | P144-Y146 HydrophobicContact CB-CD2 4.48Å; P144-Y146 HydrophobicContact CB-CE2 4.15Å; P144-Y146 WeakPolarHBondContact O-CD2 3.18Å; P144-Y146 PolarHBondContact O-N 3.17Å |
| 145 | I | 46.9 | Very low | 37.7 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | -79.1 | 92.4 | 172.7 | -56.2 | 175.7 | 0 | 0 | 0 | 107.2 | L143 Q147 | L143-I145 PolarHBondContact O-N 3.26Å; I145-Q147 PolarHBondContact O-N 3.08Å |
| 146 | Y | 30.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -64.5 | 115.7 | 166.1 | -68.3 | -90.9 | 0 | 0 | 0 | 108.4 | P144 K148 | P144-Y146 HydrophobicContact CB-CD2 4.48Å; P144-Y146 HydrophobicContact CB-CE2 4.15Å; P144-Y146 WeakPolarHBondContact O-CD2 3.18Å; P144-Y146 PolarHBondContact O-N 3.17Å; Y146-K148 PolarHBondContact O-N 3.09Å |
| 147 | Q | 31 | Very low | 36.8 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -68.6 | 100.4 | 165.1 | -73.8 | 179.1 | -95.6 | 0 | 0 | 107.4 | I145 E149 | I145-Q147 PolarHBondContact O-N 3.08Å; Q147-E149 PolarHBondContact O-N 3Å |
| 148 | K | 33.2 | Very low | 36 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | -82.4 | 89.1 | 170.1 | -169.3 | -176.6 | -177.6 | -173 | 0 | 108.1 | Y146 V150 | Y146-K148 PolarHBondContact O-N 3.09Å; K148-V150 HydrophobicContact CD-CG2 4.24Å; K148-V150 HydrophobicContact CG-CG2 4.14Å; K148-V150 PolarHBondContact O-N 3.49Å |
| 149 | E | 33.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | -62.5 | 122.6 | 161.1 | -65.2 | -173 | 168.3 | 0 | 0 | 107.4 | Q147 | Q147-E149 PolarHBondContact O-N 3Š|
| 150 | V | 31 | Very low | 34.6 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | | | trans | -101.7 | 92.3 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | K148 E152 | K148-V150 HydrophobicContact CD-CG2 4.24Å; K148-V150 HydrophobicContact CG-CG2 4.14Å; K148-V150 PolarHBondContact O-N 3.49Å; V150-E152 HydrophobicContact CG1-CG 3.86Å; V150-E152 PolarHBondContact O-N 3.13Å; V150-E152 VanDerWaalsContact O-N 3.14Å |
| 151 | S | 32.3 | Very low | 33.8 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -70.6 | 97.4 | 165.7 | 49.3 | 0 | 0 | 0 | 0 | 108.5 | E153 | S151-E153 PolarHBondContact O-N 3.36Å; S151-E153 VanDerWaalsContact O-N 3.07Å |
| 152 | E | 32.5 | Very low | 32.8 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | trans | -75.2 | 95.1 | 173.5 | -65.3 | -171.2 | 158.8 | 0 | 0 | 109.4 | V150 N154 | V150-E152 HydrophobicContact CG1-CG 3.86Å; V150-E152 PolarHBondContact O-N 3.13Å; V150-E152 VanDerWaalsContact O-N 3.14Å; E152-N154 PolarHBondContact O-N 3.2Å; E152-N154 VanDerWaalsContact O-N 3.13Å; E152-N154 PolarHBondContact O-ND2 3.34Å |
| 153 | E | 30.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -63.6 | 109.5 | 177.7 | -67.9 | 174.7 | 146.7 | 0 | 0 | 109.9 | S151 E155 | S151-E153 PolarHBondContact O-N 3.36Å; S151-E153 VanDerWaalsContact O-N 3.07Å; E153-E155 PolarHBondContact O-N 3.26Å |
| 154 | N | 33.1 | Very low | 31.7 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | trans | -82.6 | 62.4 | -179.1 | -85 | -108.2 | 0 | 0 | 0 | 111.1 | E152 V156 | E152-N154 PolarHBondContact O-N 3.2Å; E152-N154 VanDerWaalsContact O-N 3.13Å; E152-N154 PolarHBondContact O-ND2 3.34Å; N154-V156 WeakPolarHBondContact O-CG2 3.31Å |
| 155 | E | 31 | Very low | 31.1 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | trans | -71.5 | 128.3 | 160.1 | -71.8 | -149.8 | 139.7 | 0 | 0 | 109.5 | E153 | E153-E155 PolarHBondContact O-N 3.26Š|
| 156 | V | 33.9 | Very low | 30.2 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 38% | 0.376 | 72% | 0.715 | S | S | . | * | | | trans | -134.9 | 119.4 | -177 | -129.7 | 0 | 0 | 0 | 0 | 108.8 | G96 N154 | G96-V156 CarbonylContact O-C 2.86Å; G96-V156 WeakPolarHBondContact O-CB 3.38Å; G96-V156 WeakPolarHBondContact O-CG1 3.39Å; N154-V156 WeakPolarHBondContact O-CG2 3.31Å |
| 157 | V | 33.8 | Very low | 30.2 | Very low | 122 Ų | 122 | 123 Ų | 123 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | | | trans | -108.9 | 91.4 | -166.5 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | K159 | V157-K159 PolarHBondContact O-N 2.62Å; V157-K159 VanDerWaalsContact O-N 3.08Å |
| 158 | V | 30.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 54% | 0.539 | 68% | 0.682 | S | S | . | * | | | trans | -69.5 | 103 | 170.3 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | G96 A97 | G96-V158 WeakPolarHBondContact O-CG2 3.41Å; G96-V158 PolarHBondContact O-N 3Å; A97-V158 HydrophobicContact CB-CG2 4.25Å |
| 159 | K | 30.9 | Very low | 29.9 | Very low | 200 Ų | 200 | 116.2 Ų | 116.2 | 87% | 0.87 | 66% | 0.664 | S | S | * | * | | | trans | -166.5 | 89.4 | 145.9 | -108.9 | 157.7 | -172.2 | 178 | 0 | 114.6 | V157 | V157-K159 PolarHBondContact O-N 2.62Å; V157-K159 VanDerWaalsContact O-N 3.08Å |
| 160 | G | 25.1 | Very low | 29.8 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 89% | 0.887 | 66% | 0.659 | S | S | * | * | | | trans | 41.8 | 105.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 161 | G | 24 | Very low | 29.7 | Very low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | | | trans | -162 | 107.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 162 | C | 23.4 | Very low | 29.9 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 89% | 0.885 | 68% | 0.676 | S | S | * | * | | | trans | -94 | 122.9 | -171.5 | -176.2 | 0 | 0 | 0 | 0 | 112 | | |
| 163 | G | 27.5 | Very low | 29.8 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | | | trans | 166.3 | 114.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 164 | A | 30.2 | Very low | 30 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 68% | 0.682 | S | S | * | * | | | trans | 73.7 | 138.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 165 | K | 28.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | | | | 180 | 118.7 | -68.8 | 172.5 | 179.5 | 176.2 | 179.8 | 0 | 110.8 | E100 K101 K102 | E100-K165 WeakPolarHBondContact OE2-CA 3.4Å; K101-K165 CarbonylContact O-C 3.42Å; K101-K165 VanDerWaalsContact O-CA 3.25Å; K101-K165 WeakPolarHBondContact O-CA 3.49Å; K101-K165 PolarHBondContact O-N 2.72Å; K102-K165 WeakPolarHBondContact CD-O 3.07Å; K102-K165 PolarHBondContact NZ-O 3.45Å |
| 166 | E | 29.6 | Very low | 30.2 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 43% | 0.43 | 69% | 0.686 | S | S | . | * | | | trans | 64.5 | 123.3 | 177.6 | 174.5 | -91.9 | 166.4 | 0 | 0 | 118.9 | K101 K102 E103 K169 | K101-E166 PolarHBondContact O-N 3.17Å; K101-E166 VanDerWaalsContact O-N 3.14Å; K102-E166 WeakPolarHBondContact CA-O 3.28Å; K102-E166 WeakPolarHBondContact CE-O 3.39Å; K102-E166 PolarHBondContact N-O 2.66Å; K102-E166 PolarHBondContact NZ-O 3.07Å; K102-E166 IonicContact NZ-OE2 2.68Å; K102-E166 PolarHBondContact NZ-OE2 3.23Å; E103-E166 WeakPolarHBondContact CA-O 3.5Å; E166-K169 IonicContact OE1-NZ 2.99Å |
| 167 | E | 30.1 | Very low | 30.2 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 32% | 0.318 | 71% | 0.713 | S | S | . | * | | | trans | -137.6 | 139.1 | 174.3 | 157.7 | 46.6 | 16.4 | 0 | 0 | 109.5 | K101 K102 E103 K169 | K101-E167 HydrophobicContact CB-CB 3.59Å; K101-E167 HydrophobicContact CD-CB 3.77Å; K101-E167 WeakPolarHBondContact CE-O 3.37Å; K101-E167 HydrophobicContact CG-CB 3.69Å; K101-E167 PolarHBondContact NZ-O 2.86Å; K102-E167 VanDerWaalsContact C-OE1 3.27Å; E103-E167 VanDerWaalsContact CB-OE1 3.31Å; E103-E167 WeakPolarHBondContact CB-OE1 3.25Å; E103-E167 WeakPolarHBondContact CG-OE1 3.4Å; E103-E167 PolarHBondContact N-OE1 3.46Å; E167-K169 PolarHBondContact OE2-N 2.97Å |
| 168 | E | 28.6 | Very low | 30.1 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 58% | 0.575 | 72% | 0.717 | S | S | * | * | | | trans | 174.2 | 136.7 | 151 | -119.1 | 145.3 | -122.4 | 0 | 0 | 109.9 | K101 E103 | K101-E168 IonicContact NZ-OE1 2.59Å; K101-E168 PolarHBondContact NZ-OE1 3.41Å; E103-E168 WeakPolarHBondContact CG-O 3.42Å |
| 169 | K | 28.3 | Very low | 30 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 37% | 0.374 | 73% | 0.73 | S | S | . | * | | | trans | 165.7 | 148.5 | 146 | -90.4 | 152.8 | -130.7 | 88.1 | 0 | 110.8 | E103 R105 E166 E167 | E103-K169 VanDerWaalsContact CD-NZ 3.26Å; E103-K169 WeakPolarHBondContact OE1-CB 3.46Å; E103-K169 WeakPolarHBondContact OE1-CD 3.43Å; E103-K169 IonicContact OE1-NZ 2.72Å; E103-K169 WeakPolarHBondContact OE2-CE 3.32Å; E103-K169 IonicContact OE2-NZ 3.55Å; E103-K169 PolarHBondContact OE2-NZ 3.01Å; R105-K169 HydrophobicContact CG-CD 4.46Å; E166-K169 IonicContact OE1-NZ 2.99Å; E167-K169 PolarHBondContact OE2-N 2.97Å |
| 170 | K | 31.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 70% | 0.7 | 72% | 0.722 | S | S | * | * | | | cis | -159.4 | 168.5 | -5.1 | -135.4 | 169 | -167.4 | 167.8 | 0 | 112.2 | | |
| 171 | E | 28.3 | Very low | 30.1 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | | | trans | -65.2 | 147.3 | -178.5 | -51 | 145.6 | 114.8 | 0 | 0 | 114.5 | R173 | E171-R173 PolarHBondContact O-N 2.99Š|
| 172 | P | 36.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | | | trans | -80.1 | 110.4 | 171.1 | 31.7 | -32.4 | 0 | 0 | 0 | 111.8 | | |
| 173 | R | 32.2 | Very low | 31.2 | Very low | 243 Ų | 243 | 130.9 Ų | 130.9 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | | | trans | -67.1 | 154 | 177 | -89.4 | -175.4 | 170.8 | -177.6 | -3.8 | 114.2 | E171 | E171-R173 PolarHBondContact O-N 2.99Š|
| 174 | E | 32.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | trans | -48.1 | 140.3 | 175.8 | -50.7 | 174.5 | 134.8 | 0 | 0 | 114.2 | | |
| 175 | K | 38.7 | Very low | 32.2 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | | | trans | -96.2 | 104.7 | 161.9 | -73.4 | -176.8 | 177.7 | 178.6 | 0 | 109.7 | | |
| 176 | R | 30.3 | Very low | 32.7 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | trans | -74.7 | 123.4 | 168.1 | -63.9 | 179.3 | -177.5 | 179.9 | -1.8 | 109.3 | S178 | R176-S178 PolarHBondContact O-N 3.28Š|
| 177 | C | 34.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 140 Ų | 140 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | | | trans | -82.2 | 100.1 | 166.9 | -73.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 178 | S | 31.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -90.7 | 124.1 | 172.4 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | R176 | R176-S178 PolarHBondContact O-N 3.28Š|
| 179 | G | 27.1 | Very low | 34 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | 122.4 | 120.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 180 | G | 27 | Very low | 34.4 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 86.8 | 86.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 181 | K | 30.5 | Very low | 35 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 66.5 | 121.4 | 150 | -55.3 | -179.3 | -179.6 | -178.7 | 0 | 118 | C183 | K181-C183 PolarHBondContact O-N 3.34Š|
| 182 | S | 36.3 | Very low | 35.5 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | 44.4 | 54.1 | 157.9 | 59.3 | 0 | 0 | 0 | 0 | 117.1 | D184 | S182-D184 VanDerWaalsContact C-N 3.27Å; S182-D184 PolarHBondContact O-N 3.37Å |
| 183 | C | 34.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | trans | -84.9 | 65.6 | 165.6 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | K181 L185 | K181-C183 PolarHBondContact O-N 3.34Å; C183-L185 PolarHBondContact O-N 3.09Å |
| 184 | D | 39.3 | Very low | 36.2 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | -70.2 | 21.7 | 170.2 | -71.8 | -74.7 | 0 | 0 | 0 | 113.5 | S182 R186 | S182-D184 VanDerWaalsContact C-N 3.27Å; S182-D184 PolarHBondContact O-N 3.37Å; D184-R186 VanDerWaalsContact C-N 3.29Å; D184-R186 PolarHBondContact O-N 3.16Å |
| 185 | L | 40.7 | Very low | 36.9 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | | | trans | -65.3 | 90 | 167 | -65.7 | 177.2 | 0 | 0 | 0 | 108.6 | C183 G187 | C183-L185 PolarHBondContact O-N 3.09Å; L185-G187 PolarHBondContact O-N 3.43Å |
| 186 | R | 38.9 | Very low | 37.3 | Very low | 215 Ų | 215 | 119.6 Ų | 119.6 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | | | trans | -60.9 | 79 | 166.1 | -65.1 | -178.2 | -177.7 | -178.1 | 1.6 | 109.4 | D184 V188 | D184-R186 VanDerWaalsContact C-N 3.29Å; D184-R186 PolarHBondContact O-N 3.16Å; R186-V188 PolarHBondContact O-N 2.91Å |
| 187 | G | 38.9 | Very low | 37.7 | Very low | 72 Ų | 72 | 113.9 Ų | 113.9 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | | | trans | -60 | 101.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L185 G189 | L185-G187 PolarHBondContact O-N 3.43Å; G187-G189 PolarHBondContact O-N 2.95Å |
| 188 | V | 40.2 | Very low | 38.8 | Very low | 66 Ų | 66 | 109.9 Ų | 109.9 | 40% | 0.4 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 129.8 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | R186 Y192 F203 | R186-V188 PolarHBondContact O-N 2.91Å; V188-Y192 HydrophobicContact CB-CD2 4.44Å; V188-Y192 HydrophobicContact CG1-CD2 3.55Å; V188-Y192 HydrophobicContact CG1-CE2 3.69Å; V188-Y192 HydrophobicContact CG1-CG 4.36Å; V188-F203 HydrophobicContact CG2-CE2 4.41Å |
| 189 | G | 35.6 | Very low | 39.9 | Very low | 41 Ų | 41 | 115.9 Ų | 115.9 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 161.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G187 G191 | G187-G189 PolarHBondContact O-N 2.95Å; G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.13Å |
| 190 | P | 36.2 | Very low | 41.7 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 96% | 0.961 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 119.2 | -173.3 | 22.2 | -33.8 | 0 | 0 | 0 | 111.6 | | |
| 191 | G | 45.7 | Very low | 43 | Very low | 69 Ų | 69 | 117.9 Ų | 117.9 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.9 | -19.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G189 | G189-G191 PolarHBondContact O-N 3.32Å; G189-G191 VanDerWaalsContact O-N 3.13Å |
| 192 | Y | 37.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 114.7 Ų | 114.7 | 28% | 0.278 | 63% | 0.629 | S | S | . | * | | | trans | -112.3 | 109.2 | 176.9 | -57.8 | -90.4 | 0 | 0 | 0 | 111.3 | V188 K194 F203 R208 | V188-Y192 HydrophobicContact CB-CD2 4.44Å; V188-Y192 HydrophobicContact CG1-CD2 3.55Å; V188-Y192 HydrophobicContact CG1-CE2 3.69Å; V188-Y192 HydrophobicContact CG1-CG 4.36Å; Y192-K194 PolarHBondContact O-N 2.93Å; Y192-F203 HydrophobicContact CD1-CZ 4.16Å; Y192-F203 HydrophobicContact CE1-CZ 4.03Å; Y192-R208 HydrophobicContact CE1-CG 4.02Å; Y192-R208 PolarHBondContact OH-NE 3.38Å; Y192-R208 PolarHBondContact OH-NH2 3.05Å; Y192-R208 VanDerWaalsContact OH-NH2 3.07Å |
| 193 | E | 43 | Very low | 44.9 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 72% | 0.715 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 114.7 | 161.7 | -76.4 | 177.8 | 91.8 | 0 | 0 | 108.9 | K209 | E193-K209 IonicContact OE2-NZ 2.67Å; E193-K209 PolarHBondContact OE2-NZ 3.28Å |
| 194 | K | 41.9 | Very low | 45.8 | Very low | 169 Ų | 169 | 116.8 Ų | 116.8 | 74% | 0.735 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.9 | 55.7 | 172 | -56.8 | 178.7 | -178.7 | -179.1 | 0 | 115 | Y192 Y196 | Y192-K194 PolarHBondContact O-N 2.93Å; K194-Y196 HydrophobicContact CB-CE2 3.99Å |
| 195 | S | 46.3 | Very low | 46.4 | Very low | 27 Ų | 27 | 111 Ų | 111 | 19% | 0.189 | 59% | 0.587 | C | S | . | * | | | trans | -87.2 | 114.2 | 157.7 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 196 | Y | 48.3 | Very low | 46.8 | Very low | 167 Ų | 167 | 106.6 Ų | 106.6 | 66% | 0.655 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 156.6 | 166.3 | -59.1 | -85 | 0 | 0 | 0 | 109.5 | K194 | K194-Y196 HydrophobicContact CB-CE2 3.99Š|
| 197 | L | 37.1 | Very low | 46.9 | Very low | 92 Ų | 92 | 101.3 Ų | 101.3 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -94.7 | 133.3 | 163.7 | -72.1 | 165 | 0 | 0 | 0 | 107.4 | F203 | L197-F203 HydrophobicContact CD2-CB 4.45Å |
| 198 | D | 58.5 | Low | 47.2 | Very low | 55 Ų | 55 | 106.4 Ų | 106.4 | 29% | 0.294 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 162.9 | 165.6 | -65.3 | -18.6 | 0 | 0 | 0 | 109.9 | D200 G201 H202 K204 | D198-D200 PolarHBondContact O-N 2.86Å; D198-D200 VanDerWaalsContact O-N 3.16Å; D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 2.83Å; D198-H202 PolarHBondContact N-O 3.41Å; D198-K204 WeakPolarHBondContact OD2-CD 3.39Å; D198-K204 WeakPolarHBondContact OD2-CE 3.23Å; D198-K204 IonicContact OD2-NZ 2.64Å; D198-K204 PolarHBondContact OD2-NZ 3.32Å |
| 199 | Y | 54.6 | Low | 47.6 | Very low | 245 Ų | 245 | 110.7 Ų | 110.7 | 96% | 0.961 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -32.4 | 179.5 | -77.2 | -85 | 0 | 0 | 0 | 113.3 | G201 | Y199-G201 PolarHBondContact O-N 3.37Å; Y199-G201 VanDerWaalsContact O-N 3.15Å |
| 200 | D | 65.9 | Low | 48.1 | Very low | 136 Ų | 136 | 118 Ų | 118 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 12.2 | 174.9 | -49.3 | -61.5 | 0 | 0 | 0 | 113.7 | D198 H202 | D198-D200 PolarHBondContact O-N 2.86Å; D198-D200 VanDerWaalsContact O-N 3.16Å; D200-H202 PolarHBondContact O-N 3Å; D200-H202 PolarHBondContact O-ND1 3.16Å |
| 201 | G | 54.1 | Low | 48.3 | Very low | 52 Ų | 52 | 118.2 Ų | 118.2 | 54% | 0.536 | 60% | 0.602 | S | S | . | * | | | trans | 71.1 | 8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D198 Y199 | D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 2.83Å; Y199-G201 PolarHBondContact O-N 3.37Å; Y199-G201 VanDerWaalsContact O-N 3.15Å |
| 202 | H | 58.9 | Low | 48.2 | Very low | 126 Ų | 126 | 119 Ų | 119 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | | | trans | -80.1 | 130.5 | -176.2 | -74.3 | 45.1 | 0 | 0 | 0 | 111.6 | D198 D200 K204 | D198-H202 PolarHBondContact N-O 3.41Å; D200-H202 PolarHBondContact O-N 3Å; D200-H202 PolarHBondContact O-ND1 3.16Å; H202-K204 PolarHBondContact O-N 2.92Å |
| 203 | F | 47.3 | Very low | 48.5 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | B | Isolated β-bridge | trans | -83.9 | 108 | -178.3 | 179.5 | -93.3 | 0 | 0 | 0 | 111.6 | V188 Y192 L197 | V188-F203 HydrophobicContact CG2-CE2 4.41Å; Y192-F203 HydrophobicContact CD1-CZ 4.16Å; Y192-F203 HydrophobicContact CE1-CZ 4.03Å; L197-F203 HydrophobicContact CD2-CB 4.45Å |
| 204 | K | 53.1 | Low | 48 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | | | trans | -106.4 | 44.9 | 172.9 | -68.2 | -176.9 | -175.6 | 151.7 | 0 | 112.4 | D198 H202 | D198-K204 WeakPolarHBondContact OD2-CD 3.39Å; D198-K204 WeakPolarHBondContact OD2-CE 3.23Å; D198-K204 IonicContact OD2-NZ 2.64Å; D198-K204 PolarHBondContact OD2-NZ 3.32Å; H202-K204 PolarHBondContact O-N 2.92Å |
| 205 | G | 52.4 | Low | 47.5 | Very low | 22 Ų | 22 | 125.9 Ų | 125.9 | 23% | 0.227 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -75.9 | 133.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 206 | G | 48.1 | Very low | 47 | Very low | 55 Ų | 55 | 133.1 Ų | 133.1 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 164.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R208 | G206-R208 PolarHBondContact O-N 3.08Š|
| 207 | A | 42.4 | Very low | 46.3 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 85% | 0.851 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 129.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K209 | A207-K209 PolarHBondContact O-N 3.06Š|
| 208 | R | 44.5 | Very low | 46.1 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 122.6 | 179.2 | -72.1 | -179.9 | 175.9 | 166.3 | 1.2 | 110.7 | Y192 G206 F210 | Y192-R208 HydrophobicContact CE1-CG 4.02Å; Y192-R208 PolarHBondContact OH-NE 3.38Å; Y192-R208 PolarHBondContact OH-NH2 3.05Å; Y192-R208 VanDerWaalsContact OH-NH2 3.07Å; G206-R208 PolarHBondContact O-N 3.08Å; R208-F210 PolarHBondContact O-N 3.4Å; R208-F210 VanDerWaalsContact O-N 3.16Å |
| 209 | K | 47.5 | Very low | 44.9 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 68% | 0.683 | 69% | 0.693 | S | S | * | * | | | trans | -67.5 | 106.9 | 162.1 | -65.3 | 175.4 | 179.7 | 176.1 | 0 | 107.3 | E193 A207 L211 | E193-K209 IonicContact OE2-NZ 2.67Å; E193-K209 PolarHBondContact OE2-NZ 3.28Å; A207-K209 PolarHBondContact O-N 3.06Å; K209-L211 PolarHBondContact O-N 3.47Å |
| 210 | F | 47.3 | Very low | 43.9 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 86% | 0.855 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.3 | 167.3 | -72.3 | -92.3 | 0 | 0 | 0 | 107.9 | R208 | R208-F210 PolarHBondContact O-N 3.4Å; R208-F210 VanDerWaalsContact O-N 3.16Å |
| 211 | L | 41 | Very low | 42.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 144.9 | 166.6 | -68.9 | 171.9 | 0 | 0 | 0 | 108.6 | K209 I213 | K209-L211 PolarHBondContact O-N 3.47Å; L211-I213 PolarHBondContact O-N 3.06Å |
| 212 | P | 42.8 | Very low | 41.6 | Very low | 85 Ų | 85 | 143 Ų | 143 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 133.5 | 175.4 | -25.7 | 34.7 | 0 | 0 | 0 | 111.4 | Y214 | P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 HydrophobicContact CB-CD2 4.41Å; P212-Y214 HydrophobicContact CB-CE2 4.04Å; P212-Y214 HydrophobicContact CG-CE2 4.47Å; P212-Y214 WeakPolarHBondContact O-CD2 3.4Å; P212-Y214 PolarHBondContact O-N 3.42Å |
| 213 | I | 44.5 | Very low | 40.2 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | | | trans | -77.9 | 89 | 171.5 | -56.5 | 176.4 | 0 | 0 | 0 | 106.8 | L211 Q215 | L211-I213 PolarHBondContact O-N 3.06Å; I213-Q215 PolarHBondContact O-N 2.99Å; I213-Q215 VanDerWaalsContact O-N 3.09Å |
| 214 | Y | 31.7 | Very low | 39.8 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | -64.2 | 108 | 170.6 | -65.3 | -82.5 | 0 | 0 | 0 | 109 | P212 K216 | P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 HydrophobicContact CB-CD2 4.41Å; P212-Y214 HydrophobicContact CB-CE2 4.04Å; P212-Y214 HydrophobicContact CG-CE2 4.47Å; P212-Y214 WeakPolarHBondContact O-CD2 3.4Å; P212-Y214 PolarHBondContact O-N 3.42Å; Y214-K216 VanDerWaalsContact C-N 3.33Å; Y214-K216 PolarHBondContact O-N 3.22Å |
| 215 | Q | 31 | Very low | 38.8 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | | | trans | -69.3 | 95.4 | 164.2 | -72.4 | -178 | -86.3 | 0 | 0 | 107.7 | I213 E217 | I213-Q215 PolarHBondContact O-N 2.99Å; I213-Q215 VanDerWaalsContact O-N 3.09Å; Q215-E217 PolarHBondContact O-N 2.59Å |
| 216 | K | 36.2 | Very low | 38.1 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | trans | -84.9 | 92.2 | 172.4 | -169.2 | -175.1 | -176.6 | -172.7 | 0 | 108.7 | Y214 V218 | Y214-K216 VanDerWaalsContact C-N 3.33Å; Y214-K216 PolarHBondContact O-N 3.22Å; K216-V218 HydrophobicContact CD-CG2 4.07Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; K216-V218 PolarHBondContact O-N 2.87Å |
| 217 | E | 33.8 | Very low | 37.2 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | -65.9 | 121 | 161.4 | -64.5 | -168.2 | 160.2 | 0 | 0 | 107.9 | Q215 | Q215-E217 PolarHBondContact O-N 2.59Š|
| 218 | V | 33.1 | Very low | 36.4 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | | | trans | -101.2 | 96.7 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | K216 E220 | K216-V218 HydrophobicContact CD-CG2 4.07Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; K216-V218 PolarHBondContact O-N 2.87Å; V218-E220 PolarHBondContact O-N 2.91Å |
| 219 | S | 33.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -68.3 | 111 | 167.5 | 53.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 220 | E | 33.2 | Very low | 34.2 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -64 | 138.3 | 178 | -66.8 | -179.7 | 151.8 | 0 | 0 | 110.9 | V218 K222 | V218-E220 PolarHBondContact O-N 2.91Å; E220-K222 PolarHBondContact O-N 3.35Å |
| 221 | E | 31.8 | Very low | 33.2 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -75.6 | 122.1 | -168.6 | -63.3 | 173.4 | 158.6 | 0 | 0 | 110.5 | E223 | E221-E223 PolarHBondContact O-N 3.24Å; E221-E223 VanDerWaalsContact O-N 3.17Å |
| 222 | K | 38.5 | Very low | 32.6 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -77.6 | 101.4 | 173.1 | -74.9 | -171.1 | 175 | -176.5 | 0 | 110 | E220 V224 | E220-K222 PolarHBondContact O-N 3.35Å; K222-V224 PolarHBondContact O-N 3.26Å |
| 223 | E | 30.6 | Very low | 31.9 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -54.9 | 120.8 | 168.5 | -65.5 | -171.6 | 128.8 | 0 | 0 | 110.8 | E221 | E221-E223 PolarHBondContact O-N 3.24Å; E221-E223 VanDerWaalsContact O-N 3.17Å |
| 224 | V | 37.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -113.1 | 95.1 | 169.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | K222 V226 | K222-V224 PolarHBondContact O-N 3.26Å; V224-V226 HydrophobicContact CG1-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.78Å |
| 225 | V | 32.6 | Very low | 31 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -70.5 | 98.1 | -179.4 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 226 | V | 37.4 | Very low | 30.8 | Very low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -88.9 | 123.4 | 169.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | V224 | V224-V226 HydrophobicContact CG1-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.78Å |
| 227 | K | 30.1 | Very low | 30.3 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -89.2 | 125.1 | -178.1 | -66.9 | -178.7 | 178.9 | 178.3 | 0 | 111.6 | | |
| 228 | G | 26.5 | Very low | 30.1 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | 123 | 124.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 229 | G | 22.2 | Very low | 30.4 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | cis | 178.5 | 168.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 230 | C | 22.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 96% | 0.959 | 81% | 0.806 | S | S | * | * | | | trans | 59.8 | 84.2 | 168.8 | -64.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 231 | G | 26 | Very low | 30.6 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 104 | 150.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 232 | A | 27.8 | Very low | 30.7 | Very low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | cis | -162.3 | 151.3 | -15.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 233 | K | 28.2 | Very low | 30.4 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 68.5 | 124.1 | -178.6 | -52.2 | 178.7 | -178.2 | -179.1 | 0 | 112.8 | | |
| 234 | E | 28.3 | Very low | 30.2 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | cis | 64.7 | 89.2 | 34.1 | -160.1 | 179.3 | -144.8 | 0 | 0 | 113.4 | | |
| 235 | E | 29.3 | Very low | 29.8 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -137.5 | 143.4 | 145.6 | -157.7 | -179.7 | 176.3 | 0 | 0 | 108.4 | | |
| 236 | E | 26.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | | | trans | -84.4 | 157.4 | -167.2 | -74.9 | -164.7 | 91.6 | 0 | 0 | 115.6 | | |
| 237 | K | 26.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | | | trans | 3.9 | 120.1 | 143.5 | -54.7 | 162.7 | -166.8 | 135.7 | 0 | 116.1 | | |
| 238 | K | 29.9 | Very low | 29.1 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -132.1 | 65.1 | 152.2 | -76.4 | -173.9 | -179.6 | 132.1 | 0 | 113.6 | | |
| 239 | E | 38.6 | Very low | 29.5 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | | -71.3 | 167.2 | 128.5 | -69.5 | -167.1 | 158.6 | 0 | 0 | 109.4 | | |
| 240 | P | 42.3 | Very low | 30 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | | | cis | -120.3 | -179 | -21.2 | 38.3 | -26.4 | 0 | 0 | 0 | 110.8 | | |
| 241 | R | 29.1 | Very low | 30.5 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -165.9 | 98.3 | 130.6 | -111.2 | 162.3 | -176.8 | 177.2 | 3.8 | 113.4 | K243 | R241-K243 PolarHBondContact O-N 3.25Š|
| 242 | E | 34 | Very low | 31 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -58.8 | 129.1 | 145.1 | -63.5 | -172.3 | 130.1 | 0 | 0 | 109.6 | | |
| 243 | K | 32.9 | Very low | 31.5 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | | | trans | -131.4 | 87.5 | 150 | -70.7 | -168.5 | 175.2 | -174.3 | 0 | 106 | R241 | R241-K243 PolarHBondContact O-N 3.25Š|
| 244 | R | 25.8 | Very low | 32 | Very low | 216 Ų | 216 | 156 Ų | 156 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | | 59.2 | 120.3 | 88 | -70.1 | -169.4 | 176.2 | -169.2 | -0.8 | 112 | | |
| 245 | C | 29.4 | Very low | 32.4 | Very low | 142 Ų | 142 | 151 Ų | 151 | 96% | 0.959 | 80% | 0.797 | S | S | * | * | | | trans | -56.7 | 137.7 | 175.2 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 246 | S | 32.1 | Very low | 33 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -125.4 | 127.9 | 171.1 | 57.3 | 0 | 0 | 0 | 0 | 110 | | |
| 247 | G | 26 | Very low | 33.4 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 89.2 | 88.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 248 | G | 28.1 | Very low | 33.9 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -82.6 | 155 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 249 | K | 35.2 | Very low | 34.6 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | | | | -138.1 | 158 | 128.7 | -98.9 | 165.8 | -175.3 | 178.4 | 0 | 107.4 | | |
| 250 | S | 32 | Very low | 34.6 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -89.2 | 178 | -158.8 | 52.1 | 0 | 0 | 0 | 0 | 115 | | |
| 251 | C | 31.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | trans | 88.1 | 114.3 | 161 | -50.9 | 0 | 0 | 0 | 0 | 118.5 | L253 | C251-L253 PolarHBondContact O-N 3.14Š|
| 252 | D | 38.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | | 62.5 | 46 | 127.5 | -46.7 | -24.7 | 0 | 0 | 0 | 119.6 | R254 | D252-R254 PolarHBondContact O-N 2.74Š|
| 253 | L | 37.8 | Very low | 35.5 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -65.2 | 85.1 | 154.2 | -76.6 | 175.2 | 0 | 0 | 0 | 110.6 | C251 G255 | C251-L253 PolarHBondContact O-N 3.14Å; L253-G255 PolarHBondContact O-N 2.77Å |
| 254 | R | 39.4 | Very low | 35.9 | Very low | 231 Ų | 231 | 125.1 Ų | 125.1 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 118.6 | 166.4 | -69.3 | -176.2 | 178.6 | -174.2 | 0.2 | 109 | D252 V256 | D252-R254 PolarHBondContact O-N 2.74Å; R254-V256 PolarHBondContact O-N 3.02Å |
| 255 | G | 36.7 | Very low | 36.3 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L253 | L253-G255 PolarHBondContact O-N 2.77Š|
| 256 | V | 40.9 | Very low | 37.1 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 139.7 | 159.8 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | R254 Y260 | R254-V256 PolarHBondContact O-N 3.02Å; V256-Y260 HydrophobicContact CG1-CD2 4.12Å |
| 257 | G | 34.7 | Very low | 37.8 | Very low | 44 Ų | 44 | 123.3 Ų | 123.3 | 45% | 0.454 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 161.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G259 | G257-G259 PolarHBondContact O-N 3.31Š|
| 258 | P | 36.5 | Very low | 39.1 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 94% | 0.942 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 122.7 | -172.4 | 22.6 | -34 | 0 | 0 | 0 | 112.2 | | |
| 259 | G | 45.7 | Very low | 40 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.6 | -20 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G257 | G257-G259 PolarHBondContact O-N 3.31Š|
| 260 | Y | 38.1 | Very low | 40.7 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 38% | 0.38 | 66% | 0.662 | S | S | . | * | | | trans | -111.4 | 99.2 | -179.2 | -61.7 | -82.6 | 0 | 0 | 0 | 111.9 | V256 K262 | V256-Y260 HydrophobicContact CG1-CD2 4.12Å; Y260-K262 PolarHBondContact O-N 3.32Å |
| 261 | E | 42.2 | Very low | 41.1 | Very low | 145 Ų | 145 | 123 Ų | 123 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -80.2 | 106.5 | 167.2 | -162.4 | -162.8 | 153.1 | 0 | 0 | 109.1 | | |
| 262 | K | 39.2 | Very low | 41.8 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | | | trans | 66.2 | 89 | 178 | -57.2 | 148.1 | -176.3 | 149.1 | 0 | 114.7 | Y260 | Y260-K262 PolarHBondContact O-N 3.32Š|
| 263 | S | 43.4 | Very low | 42.3 | Very low | 43 Ų | 43 | 120.1 Ų | 120.1 | 30% | 0.301 | 64% | 0.636 | S | S | . | * | | | trans | -122.5 | 115.2 | 160.2 | 58 | 0 | 0 | 0 | 0 | 109.7 | | |
| 264 | Y | 40.8 | Very low | 42.7 | Very low | 171 Ų | 171 | 115.7 Ų | 115.7 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 152.8 | 170.9 | -64.3 | -87.8 | 0 | 0 | 0 | 109.9 | | |
| 265 | L | 33.7 | Very low | 42.8 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 122.6 | 166.1 | -79.4 | 162 | 0 | 0 | 0 | 107.9 | | |
| 266 | D | 46.7 | Very low | 43 | Very low | 59 Ų | 59 | 114.8 Ų | 114.8 | 32% | 0.316 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 149.8 | 166.6 | -67.6 | -16.4 | 0 | 0 | 0 | 109.5 | D268 G269 K272 | D266-D268 PolarHBondContact O-N 3.05Å; D266-D268 VanDerWaalsContact O-N 3.13Å; D266-G269 PolarHBondContact O-N 3.28Å; D266-K272 VanDerWaalsContact OD2-CD 3.25Å; D266-K272 WeakPolarHBondContact OD2-CD 2.95Å; D266-K272 WeakPolarHBondContact OD2-CE 3.3Å; D266-K272 IonicContact OD2-NZ 3.22Å; D266-K272 PolarHBondContact OD2-NZ 3.21Å |
| 267 | Y | 47.7 | Very low | 43.1 | Very low | 241 Ų | 241 | 118.6 Ų | 118.6 | 95% | 0.945 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -30.2 | -175.9 | -78.8 | -86.2 | 0 | 0 | 0 | 113.7 | G269 | Y267-G269 PolarHBondContact O-N 3.13Š|
| 268 | D | 52.7 | Low | 43.4 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 10.4 | 176.2 | -51.4 | -60.7 | 0 | 0 | 0 | 113.8 | D266 H270 | D266-D268 PolarHBondContact O-N 3.05Å; D266-D268 VanDerWaalsContact O-N 3.13Å; D268-H270 PolarHBondContact O-N 3.07Å; D268-H270 VanDerWaalsContact O-N 3.16Å; D268-H270 PolarHBondContact O-ND1 2.83Å |
| 269 | G | 47.9 | Very low | 43.4 | Very low | 57 Ų | 57 | 125.3 Ų | 125.3 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | | | trans | 71.6 | 6.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D266 Y267 F271 | D266-G269 PolarHBondContact O-N 3.28Å; Y267-G269 PolarHBondContact O-N 3.13Å; G269-F271 PolarHBondContact O-N 2.94Å |
| 270 | H | 49 | Very low | 43 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 59% | 0.593 | 63% | 0.631 | S | S | * | * | | | trans | -80.3 | 115.9 | -174.7 | -77.6 | 63.4 | 0 | 0 | 0 | 112.2 | D268 K272 | D268-H270 PolarHBondContact O-N 3.07Å; D268-H270 VanDerWaalsContact O-N 3.16Å; D268-H270 PolarHBondContact O-ND1 2.83Å; H270-K272 PolarHBondContact O-N 3.26Å; H270-K272 VanDerWaalsContact O-N 3.08Å |
| 271 | F | 40.4 | Very low | 43.1 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | | | trans | -72.7 | 98.2 | -177.1 | -178 | -96.4 | 0 | 0 | 0 | 112.7 | G269 G273 | G269-F271 PolarHBondContact O-N 2.94Å; F271-G273 VanDerWaalsContact C-N 3.31Å; F271-G273 PolarHBondContact O-N 3.08Å |
| 272 | K | 47.2 | Very low | 42.6 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | | | trans | -93.5 | 41.6 | 172 | -65.6 | 178.9 | -171.4 | 153.7 | 0 | 112.8 | D266 H270 G274 | D266-K272 VanDerWaalsContact OD2-CD 3.25Å; D266-K272 WeakPolarHBondContact OD2-CD 2.95Å; D266-K272 WeakPolarHBondContact OD2-CE 3.3Å; D266-K272 IonicContact OD2-NZ 3.22Å; D266-K272 PolarHBondContact OD2-NZ 3.21Å; H270-K272 PolarHBondContact O-N 3.26Å; H270-K272 VanDerWaalsContact O-N 3.08Å; K272-G274 PolarHBondContact O-N 3.31Å |
| 273 | G | 48.5 | Very low | 42.2 | Very low | 25 Ų | 25 | 131.3 Ų | 131.3 | 26% | 0.258 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 119.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F271 | F271-G273 VanDerWaalsContact C-N 3.31Å; F271-G273 PolarHBondContact O-N 3.08Å |
| 274 | G | 45.3 | Very low | 41.7 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 158.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | K272 R276 | K272-G274 PolarHBondContact O-N 3.31Å; G274-R276 PolarHBondContact O-N 3.14Å |
| 275 | A | 41.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K277 | A275-K277 PolarHBondContact O-N 2.96Å; A275-K277 VanDerWaalsContact O-N 3.08Å |
| 276 | R | 41.1 | Very low | 41.2 | Very low | 193 Ų | 193 | 136 Ų | 136 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | | | trans | -53.3 | 113.5 | -179.8 | -73.1 | -179.6 | 172.8 | 172 | -0.2 | 111.3 | G274 F278 | G274-R276 PolarHBondContact O-N 3.14Å; R276-F278 PolarHBondContact O-N 3.35Å |
| 277 | K | 43.7 | Very low | 40.7 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | | | trans | -71.3 | 111.8 | 160.9 | -63.9 | 178.5 | -175.6 | 172.4 | 0 | 107.4 | A275 L279 | A275-K277 PolarHBondContact O-N 2.96Å; A275-K277 VanDerWaalsContact O-N 3.08Å; K277-L279 PolarHBondContact O-N 3.01Å |
| 278 | F | 40.6 | Very low | 40.1 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | | | trans | -67.8 | 113.2 | 164.9 | -73.5 | -92.6 | 0 | 0 | 0 | 107.8 | R276 | R276-F278 PolarHBondContact O-N 3.35Š|
| 279 | L | 35.8 | Very low | 39 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | | | trans | -63.9 | 134.5 | 164.3 | -72 | 170.5 | 0 | 0 | 0 | 108 | K277 I281 | K277-L279 PolarHBondContact O-N 3.01Å; L279-I281 PolarHBondContact O-N 2.95Å |
| 280 | P | 38 | Very low | 38.5 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 51% | 0.506 | 71% | 0.707 | S | S | . | * | | | trans | -58.5 | 127 | 175.8 | -23.1 | 33.3 | 0 | 0 | 0 | 110.5 | Y282 | P280-Y282 VanDerWaalsContact C-N 3.27Å; P280-Y282 HydrophobicContact CB-CD2 4.3Å; P280-Y282 HydrophobicContact CB-CE1 4.2Å; P280-Y282 HydrophobicContact CB-CE2 3.92Å; P280-Y282 HydrophobicContact CG-CE2 4.33Å; P280-Y282 VanDerWaalsContact O-CD2 3.23Å; P280-Y282 WeakPolarHBondContact O-CD2 3.16Å; P280-Y282 PolarHBondContact O-N 2.93Å |
| 281 | I | 39.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | | | trans | -78.9 | 85.9 | 169.7 | -56.4 | 178 | 0 | 0 | 0 | 106.7 | L279 Q283 | L279-I281 PolarHBondContact O-N 2.95Å; I281-Q283 PolarHBondContact O-N 2.67Å; I281-Q283 VanDerWaalsContact O-N 3.16Å |
| 282 | Y | 32 | Very low | 37.1 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | trans | -60.8 | 115 | 175.8 | -62.8 | -81.3 | 0 | 0 | 0 | 109.8 | P280 K284 | P280-Y282 VanDerWaalsContact C-N 3.27Å; P280-Y282 HydrophobicContact CB-CD2 4.3Å; P280-Y282 HydrophobicContact CB-CE1 4.2Å; P280-Y282 HydrophobicContact CB-CE2 3.92Å; P280-Y282 HydrophobicContact CG-CE2 4.33Å; P280-Y282 VanDerWaalsContact O-CD2 3.23Å; P280-Y282 WeakPolarHBondContact O-CD2 3.16Å; P280-Y282 PolarHBondContact O-N 2.93Å; Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.23Å |
| 283 | Q | 31 | Very low | 36.2 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | | | trans | -72 | 89.1 | 168.2 | -76.3 | -170.1 | -16.2 | 0 | 0 | 109 | I281 Q285 | I281-Q283 PolarHBondContact O-N 2.67Å; I281-Q283 VanDerWaalsContact O-N 3.16Å; Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 3.05Å |
| 284 | K | 33.2 | Very low | 35.2 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -70 | 88.1 | 173.2 | -167.2 | -179 | -175.4 | -179.9 | 0 | 109.4 | Y282 V286 | Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.23Å; K284-V286 HydrophobicContact CD-CG2 4.13Å; K284-V286 HydrophobicContact CG-CG2 3.97Å; K284-V286 PolarHBondContact O-N 2.84Å; K284-V286 VanDerWaalsContact O-N 3.13Å |
| 285 | Q | 31.7 | Very low | 34.3 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | -69.6 | 103.9 | 168.1 | -65.4 | -170.2 | 11.4 | 0 | 0 | 108.3 | Q283 | Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 3.05Å |
| 286 | V | 32.3 | Very low | 33.4 | Very low | 97 Ų | 97 | 154.5 Ų | 154.5 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | | | trans | -92 | 100.5 | 169.9 | -175 | 0 | 0 | 0 | 0 | 107.3 | K284 E288 | K284-V286 HydrophobicContact CD-CG2 4.13Å; K284-V286 HydrophobicContact CG-CG2 3.97Å; K284-V286 PolarHBondContact O-N 2.84Å; K284-V286 VanDerWaalsContact O-N 3.13Å; V286-E288 HydrophobicContact CG1-CG 4.04Å; V286-E288 PolarHBondContact O-N 3.01Å |
| 287 | S | 35.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -79 | 89.3 | 168.6 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | E289 | S287-E289 PolarHBondContact O-N 3.33Š|
| 288 | E | 35.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 124.8 | 172.6 | -67.5 | -177.4 | 158.7 | 0 | 0 | 110.4 | V286 | V286-E288 HydrophobicContact CG1-CG 4.04Å; V286-E288 PolarHBondContact O-N 3.01Å |
| 289 | E | 29.3 | Very low | 30.8 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | -64.1 | 132.3 | 178.1 | -59.7 | 173.9 | 142.9 | 0 | 0 | 110 | S287 | S287-E289 PolarHBondContact O-N 3.33Š|
| 290 | K | 37.6 | Very low | 30.4 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -127.7 | 101.7 | 176 | -71.7 | -167.4 | 176.3 | -177.7 | 0 | 111.4 | | |
| 291 | E | 30.3 | Very low | 29.9 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -58.3 | 140.7 | 171.8 | -165.5 | 172 | -149.7 | 0 | 0 | 111.1 | | |
| 292 | I | 29.5 | Very low | 29.3 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -111.5 | 121.4 | -172.4 | -59.8 | 174 | 0 | 0 | 0 | 109.7 | V294 | I292-V294 HydrophobicContact CG2-CG2 4.04Š|
| 293 | V | 29.7 | Very low | 29.2 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -127.3 | 133.9 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 294 | V | 25.6 | Very low | 29.1 | Very low | 115 Ų | 115 | 152 Ų | 152 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | | | trans | -118.1 | 135 | -166.2 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | I292 | I292-V294 HydrophobicContact CG2-CG2 4.04Š|
| 295 | K | 27.3 | Very low | 29.3 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | | | trans | 157.1 | 137.6 | 155.8 | -86.7 | 149.7 | -170 | 178 | 0 | 108.7 | | |
| 296 | G | 21.7 | Very low | 29.1 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | cis | 155.5 | 138.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 297 | G | 21.6 | Very low | 28.9 | Very low | 79 Ų | 79 | 153.1 Ų | 153.1 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | 108 | 133 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 298 | A | 22.5 | Very low | 28.8 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | 66.2 | 148.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 299 | K | 28.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 160.2 Ų | 160.2 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | | | cis | -172.1 | 149.9 | -18.9 | -176.7 | 174.8 | 176.4 | -100.9 | 0 | 109 | | |
| 300 | E | 26.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 156.1 Ų | 156.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 62.2 | 160.7 | 168.5 | -80.6 | 146.4 | 176.2 | 0 | 0 | 117.7 | | |
| 301 | E | 28.2 | Very low | 27.8 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | cis | -139.4 | 168 | -2.4 | -149.8 | -170.9 | -160.3 | 0 | 0 | 110.7 | | |
| 302 | K | 25.4 | Very low | 27.7 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -103.3 | 133.3 | 176.4 | -75.4 | -175.2 | 175.6 | -175 | 0 | 112.8 | | |
| 303 | K | 30.3 | Very low | 27.8 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -143.5 | 130.9 | 148.9 | -71.3 | -169.5 | 179.6 | 166.6 | 0 | 112.9 | | |
| 304 | E | 29.3 | Very low | 27.9 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -102.5 | -170.7 | 156.9 | -41.2 | 178.6 | 145.5 | 0 | 0 | 107.5 | | |
| 305 | P | 37.3 | Very low | 28.1 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | cis | -129.5 | -176.2 | -18.3 | 38.1 | -21.7 | 0 | 0 | 0 | 112.6 | | |
| 306 | R | 27.9 | Very low | 28.5 | Very low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | | 156.5 | 133 | 111.4 | -169 | 165.7 | -172.6 | 165.8 | 3.5 | 114.6 | | |
| 307 | E | 28.2 | Very low | 29.1 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 58% | 0.579 | 78% | 0.781 | S | S | * | * | | | trans | -64.4 | 142.2 | 174.5 | -178.2 | -167.3 | 169.2 | 0 | 0 | 114.5 | R309 | E307-R309 HydrophobicContact CG-CG 4.46Å; E307-R309 IonicContact OE1-CZ 2.9Å; E307-R309 VanDerWaalsContact OE1-CZ 3.24Å; E307-R309 IonicContact OE1-NE 3.24Å; E307-R309 PolarHBondContact OE1-NE 3.43Å; E307-R309 IonicContact OE1-NH2 3.87Å; E307-R309 PolarHBondContact OE1-NH2 3.33Å; E307-R309 IonicContact OE2-NH2 3.57Å |
| 308 | K | 32.2 | Very low | 30 | Very low | 211 Ų | 211 | 152.6 Ų | 152.6 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -137.4 | 154.3 | 152.4 | -79.8 | -166.9 | 176.8 | -179.3 | 0 | 110.4 | | |
| 309 | R | 25.7 | Very low | 30.7 | Very low | 201 Ų | 201 | 157.4 Ų | 157.4 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | | | trans | -115.4 | -172.2 | -166.4 | -60.4 | -179.6 | 177.6 | 170.9 | 2.4 | 112.8 | E307 | E307-R309 HydrophobicContact CG-CG 4.46Å; E307-R309 IonicContact OE1-CZ 2.9Å; E307-R309 VanDerWaalsContact OE1-CZ 3.24Å; E307-R309 IonicContact OE1-NE 3.24Å; E307-R309 PolarHBondContact OE1-NE 3.43Å; E307-R309 IonicContact OE1-NH2 3.87Å; E307-R309 PolarHBondContact OE1-NH2 3.33Å; E307-R309 IonicContact OE2-NH2 3.57Å |
| 310 | S | 29.7 | Very low | 31 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | 77.2 | 128.6 | 177.7 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 311 | S | 27.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | cis | 72.4 | 130 | 35.1 | 83.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 312 | G | 27.7 | Very low | 32 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | cis | 156.9 | 136.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 313 | D | 31 | Very low | 32.4 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | 43.7 | 126.9 | 166.8 | -60.2 | -48.6 | 0 | 0 | 0 | 121.7 | | |
| 314 | K | 31.3 | Very low | 33.1 | Very low | 201 Ų | 201 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | | -178.8 | 137.6 | 106.2 | -98.7 | 171.3 | -179.4 | -173.5 | 0 | 114.8 | | |
| 315 | G | 29.9 | Very low | 33.5 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | 92.2 | 134.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 316 | D | 35.9 | Very low | 33.7 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | cis | -151.1 | 163.9 | -7.4 | -88.5 | -49.7 | 0 | 0 | 0 | 113.1 | L318 | D316-L318 PolarHBondContact O-N 3.42Š|
| 317 | D | 35.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | trans | -24 | 83.6 | -178.5 | -102.6 | -55.1 | 0 | 0 | 0 | 119.5 | R319 | D317-R319 IonicContact OD1-CZ 3.72Å; D317-R319 IonicContact OD1-NE 2.62Å; D317-R319 PolarHBondContact OD1-NE 3.23Å; D317-R319 IonicContact OD1-NH2 2.62Å; D317-R319 PolarHBondContact OD1-NH2 2.92Å; D317-R319 IonicContact OD2-NH2 3.86Å |
| 318 | L | 40 | Very low | 34.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | | | trans | -124 | 94.2 | 146 | -79.1 | -179.1 | 0 | 0 | 0 | 110.9 | D316 G320 | D316-L318 PolarHBondContact O-N 3.42Å; L318-G320 PolarHBondContact O-N 3.17Å |
| 319 | R | 35.8 | Very low | 35.1 | Very low | 208 Ų | 208 | 129.3 Ų | 129.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -73.7 | 66.5 | 172.5 | -86.7 | 173.3 | -89.1 | 178.4 | -8.1 | 111.9 | D317 V321 | D317-R319 IonicContact OD1-CZ 3.72Å; D317-R319 IonicContact OD1-NE 2.62Å; D317-R319 PolarHBondContact OD1-NE 3.23Å; D317-R319 IonicContact OD1-NH2 2.62Å; D317-R319 PolarHBondContact OD1-NH2 2.92Å; D317-R319 IonicContact OD2-NH2 3.86Å; R319-V321 PolarHBondContact O-N 3.19Å |
| 320 | G | 35.7 | Very low | 35.4 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | | | trans | -60.4 | 104.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | L318 G322 | L318-G320 PolarHBondContact O-N 3.17Å; G320-G322 PolarHBondContact O-N 2.87Å |
| 321 | V | 40.7 | Very low | 36.1 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | | | trans | -65.6 | 126 | 176.1 | -161.9 | 0 | 0 | 0 | 0 | 107.7 | R319 Y325 | R319-V321 PolarHBondContact O-N 3.19Å; V321-Y325 HydrophobicContact CB-CD2 3.86Å; V321-Y325 HydrophobicContact CB-CE2 4.31Å; V321-Y325 HydrophobicContact CB-CG 4.11Å; V321-Y325 HydrophobicContact CG1-CD1 4.42Å; V321-Y325 HydrophobicContact CG1-CD2 3.44Å; V321-Y325 VanDerWaalsContact CG1-CD2 3.44Å; V321-Y325 HydrophobicContact CG1-CE1 4.36Å; V321-Y325 HydrophobicContact CG1-CE2 3.38Å; V321-Y325 HydrophobicContact CG1-CG 4Å |
| 322 | G | 34 | Very low | 37.1 | Very low | 45 Ų | 45 | 131.3 Ų | 131.3 | 46% | 0.464 | 72% | 0.715 | S | S | . | * | | | trans | -56.1 | 167.6 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G320 G324 Y325 | G320-G322 PolarHBondContact O-N 2.87Å; G322-G324 PolarHBondContact O-N 2.83Å; G322-Y325 WeakPolarHBondContact O-CD2 3.47Å |
| 323 | P | 35 | Very low | 38.3 | Very low | 150 Ų | 150 | 132 Ų | 132 | 97% | 0.974 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 112.3 | -167.9 | 19.5 | -33.2 | 0 | 0 | 0 | 112.6 | | |
| 324 | G | 44.4 | Very low | 39 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.5 | -11.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G322 | G322-G324 PolarHBondContact O-N 2.83Š|
| 325 | Y | 38.2 | Very low | 39.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 44% | 0.435 | 69% | 0.692 | S | S | . | * | | | trans | -107.1 | 88 | 178 | -67.1 | -95.2 | 0 | 0 | 0 | 112.3 | V321 G322 K327 | V321-Y325 HydrophobicContact CB-CD2 3.86Å; V321-Y325 HydrophobicContact CB-CE2 4.31Å; V321-Y325 HydrophobicContact CB-CG 4.11Å; V321-Y325 HydrophobicContact CG1-CD1 4.42Å; V321-Y325 HydrophobicContact CG1-CD2 3.44Å; V321-Y325 VanDerWaalsContact CG1-CD2 3.44Å; V321-Y325 HydrophobicContact CG1-CE1 4.36Å; V321-Y325 HydrophobicContact CG1-CE2 3.38Å; V321-Y325 HydrophobicContact CG1-CG 4Å; G322-Y325 WeakPolarHBondContact O-CD2 3.47Å; Y325-K327 PolarHBondContact O-N 3.17Å |
| 326 | E | 40.4 | Very low | 40.2 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | | | trans | -68.6 | 112.9 | 160.1 | -76.2 | -166.1 | 97.5 | 0 | 0 | 110 | S328 | E326-S328 PolarHBondContact O-N 3.31Š|
| 327 | K | 39.2 | Very low | 40.6 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | | | trans | 53.9 | 58.1 | 157.6 | -58.7 | 173.4 | -176.7 | 168.8 | 0 | 116.1 | Y325 Y329 | Y325-K327 PolarHBondContact O-N 3.17Å; K327-Y329 HydrophobicContact CB-CE2 4.28Å |
| 328 | S | 40.4 | Very low | 41.2 | Very low | 56 Ų | 56 | 125.7 Ų | 125.7 | 39% | 0.392 | 67% | 0.674 | S | S | . | * | | | trans | -98.2 | 96 | 163.3 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | E326 | E326-S328 PolarHBondContact O-N 3.31Š|
| 329 | Y | 39 | Very low | 41.4 | Very low | 194 Ų | 194 | 121 Ų | 121 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | | | trans | -83.6 | 155.6 | 170.5 | -65.5 | -87.4 | 0 | 0 | 0 | 111.3 | K327 | K327-Y329 HydrophobicContact CB-CE2 4.28Š|
| 330 | L | 32.5 | Very low | 41.7 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | | | trans | -99.9 | 113 | 171.9 | -84.7 | 163 | 0 | 0 | 0 | 109.6 | | |
| 331 | D | 43.5 | Very low | 41.9 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 44% | 0.439 | 67% | 0.667 | S | S | . | * | | | trans | -63.5 | 143.3 | 168.5 | -67.2 | -19.1 | 0 | 0 | 0 | 109.8 | A333 G334 K337 | D331-A333 PolarHBondContact O-N 3.48Å; D331-G334 PolarHBondContact O-N 2.72Å; D331-K337 IonicContact OD2-NZ 2.93Å |
| 332 | Y | 48.7 | Very low | 42.1 | Very low | 251 Ų | 251 | 126.2 Ų | 126.2 | 98% | 0.984 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -20.6 | -179.6 | -97.6 | -91.2 | 0 | 0 | 0 | 115 | G334 | Y332-G334 VanDerWaalsContact C-N 3.31Š|
| 333 | A | 53.9 | Low | 42.3 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 7.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D331 K335 | D331-A333 PolarHBondContact O-N 3.48Å; A333-K335 VanDerWaalsContact C-N 3.25Å; A333-K335 PolarHBondContact O-N 2.86Å |
| 334 | G | 45.3 | Very low | 42.3 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | | | trans | 70.7 | 8.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D331 Y332 F336 | D331-G334 PolarHBondContact O-N 2.72Å; Y332-G334 VanDerWaalsContact C-N 3.31Å; G334-F336 PolarHBondContact O-N 3.25Å |
| 335 | K | 45.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | | | trans | -91.4 | 102.9 | -174.9 | -69.9 | -179.9 | -178.5 | 178.5 | 0 | 111.5 | A333 K337 | A333-K335 VanDerWaalsContact C-N 3.25Å; A333-K335 PolarHBondContact O-N 2.86Å; K335-K337 PolarHBondContact O-N 3.33Å |
| 336 | F | 39.3 | Very low | 42.1 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 62% | 0.618 | 69% | 0.691 | S | S | * | * | | | trans | -63.2 | 111.2 | 179.3 | -177.3 | -94.7 | 0 | 0 | 0 | 112.5 | G334 G338 | G334-F336 PolarHBondContact O-N 3.25Å; F336-G338 VanDerWaalsContact CE1-CA 3.43Å |
| 337 | K | 44.3 | Very low | 42 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | | | trans | -103.2 | 35.1 | 173 | -73.4 | 178.6 | 178.2 | 164.7 | 0 | 113.1 | D331 K335 | D331-K337 IonicContact OD2-NZ 2.93Å; K335-K337 PolarHBondContact O-N 3.33Å |
| 338 | G | 48.5 | Very low | 41.9 | Very low | 29 Ų | 29 | 135.8 Ų | 135.8 | 30% | 0.299 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 133 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F336 | F336-G338 VanDerWaalsContact CE1-CA 3.43Š|
| 339 | G | 46.1 | Very low | 41.7 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 157.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R341 | G339-R341 PolarHBondContact O-N 2.62Š|
| 340 | A | 41.6 | Very low | 41.5 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K342 | A340-K342 PolarHBondContact O-N 3.26Å; A340-K342 VanDerWaalsContact O-N 3.14Å |
| 341 | R | 40.1 | Very low | 41.6 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | -55.7 | 113.4 | -179.1 | -75.3 | 179.5 | 167.9 | 172.4 | -3.8 | 112.3 | G339 F343 | G339-R341 PolarHBondContact O-N 2.62Å; R341-F343 HydrophobicContact CB-CD2 4.28Å; R341-F343 HydrophobicContact CB-CE2 4.36Å; R341-F343 PolarHBondContact O-N 3.31Å |
| 342 | K | 44.8 | Very low | 41.4 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | | | trans | -77.3 | 96.7 | 159.5 | -65.5 | 179.9 | -176 | 172.8 | 0 | 108.6 | A340 L344 | A340-K342 PolarHBondContact O-N 3.26Å; A340-K342 VanDerWaalsContact O-N 3.14Å; K342-L344 PolarHBondContact O-N 3.46Å; K342-L344 VanDerWaalsContact O-N 3.14Å |
| 343 | F | 38.2 | Very low | 40.9 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | -68.2 | 107.3 | 167.3 | -90.2 | -89.4 | 0 | 0 | 0 | 109.3 | R341 | R341-F343 HydrophobicContact CB-CD2 4.28Å; R341-F343 HydrophobicContact CB-CE2 4.36Å; R341-F343 PolarHBondContact O-N 3.31Å |
| 344 | L | 34 | Very low | 40.1 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -76.5 | 124.2 | 165.5 | -72.6 | 171.4 | 0 | 0 | 0 | 108.6 | K342 I346 | K342-L344 PolarHBondContact O-N 3.46Å; K342-L344 VanDerWaalsContact O-N 3.14Å; L344-I346 PolarHBondContact O-N 3.19Å |
| 345 | P | 35.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 49% | 0.494 | 75% | 0.748 | S | S | . | * | | | trans | -69.2 | 125.7 | -178.3 | 25.5 | -33.1 | 0 | 0 | 0 | 111.7 | Y347 | P345-Y347 HydrophobicContact CB-CE1 4.36Å; P345-Y347 HydrophobicContact CB-CE2 4.19Å; P345-Y347 HydrophobicContact CG-CD2 4.38Å; P345-Y347 HydrophobicContact CG-CE1 4.38Å; P345-Y347 HydrophobicContact CG-CE2 3.59Å; P345-Y347 WeakPolarHBondContact O-CD2 3Å; P345-Y347 PolarHBondContact O-N 3.18Å |
| 346 | I | 41.9 | Very low | 39.2 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | trans | -78.9 | 88.5 | 176.3 | -55.1 | 176.3 | 0 | 0 | 0 | 108.8 | L344 K348 | L344-I346 PolarHBondContact O-N 3.19Å; I346-K348 PolarHBondContact O-N 2.87Å; I346-K348 VanDerWaalsContact O-N 3.09Å |
| 347 | Y | 39.5 | Very low | 39.3 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | -71.5 | 98.7 | 175 | -61.8 | -71.3 | 0 | 0 | 0 | 111.2 | P345 K349 | P345-Y347 HydrophobicContact CB-CE1 4.36Å; P345-Y347 HydrophobicContact CB-CE2 4.19Å; P345-Y347 HydrophobicContact CG-CD2 4.38Å; P345-Y347 HydrophobicContact CG-CE1 4.38Å; P345-Y347 HydrophobicContact CG-CE2 3.59Å; P345-Y347 WeakPolarHBondContact O-CD2 3Å; P345-Y347 PolarHBondContact O-N 3.18Å; Y347-K349 PolarHBondContact O-N 2.9Å |
| 348 | K | 36.2 | Very low | 39.2 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | -67.1 | 97.5 | 160 | -81 | -166.8 | 174.1 | -174.2 | 0 | 108.9 | I346 Q350 | I346-K348 PolarHBondContact O-N 2.87Å; I346-K348 VanDerWaalsContact O-N 3.09Å; K348-Q350 PolarHBondContact O-N 3.24Å |
| 349 | K | 37.4 | Very low | 39.2 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -62.8 | 101.9 | 164.6 | -74.1 | -174.7 | 176 | -177.6 | 0 | 108.6 | Y347 S351 | Y347-K349 PolarHBondContact O-N 2.9Å; K349-S351 PolarHBondContact O-N 3.19Å |
| 350 | Q | 34.2 | Very low | 39.4 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -73.1 | 105.1 | 164.1 | -75.3 | -178.7 | -35.2 | 0 | 0 | 108 | K348 S352 | K348-Q350 PolarHBondContact O-N 3.24Å; Q350-S352 PolarHBondContact O-N 2.9Å; Q350-S352 VanDerWaalsContact O-N 3.16Å |
| 351 | S | 34.8 | Very low | 39.4 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -69.8 | 104.6 | 168.1 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | K349 A353 | K349-S351 PolarHBondContact O-N 3.19Å; S351-A353 PolarHBondContact O-N 2.87Å |
| 352 | S | 39.4 | Very low | 39.6 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.4 | 169 | 51.8 | 0 | 0 | 0 | 0 | 109 | Q350 A354 | Q350-S352 PolarHBondContact O-N 2.9Å; Q350-S352 VanDerWaalsContact O-N 3.16Å; S352-A354 PolarHBondContact O-N 3.17Å |
| 353 | A | 37.1 | Very low | 40.1 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S351 K355 | S351-A353 PolarHBondContact O-N 2.87Å; A353-K355 PolarHBondContact O-N 3.16Å |
| 354 | A | 37 | Very low | 41.1 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | S352 E356 | S352-A354 PolarHBondContact O-N 3.17Å; A354-E356 PolarHBondContact O-N 3.15Å |
| 355 | K | 38.8 | Very low | 42.3 | Very low | 196 Ų | 196 | 129.3 Ų | 129.3 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | | | trans | -79.4 | 105.6 | 164.6 | -73 | -175.8 | 175.3 | -176.5 | 0 | 107.9 | A353 V357 | A353-K355 PolarHBondContact O-N 3.16Å; K355-V357 PolarHBondContact O-N 3.19Å |
| 356 | E | 34.8 | Very low | 43.8 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -64.2 | 114 | 167.8 | -71.6 | -168.9 | 119.3 | 0 | 0 | 109.7 | A354 V358 | A354-E356 PolarHBondContact O-N 3.15Å; E356-V358 PolarHBondContact O-N 2.81Å |
| 357 | V | 41 | Very low | 45.2 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | trans | -88.9 | 90.8 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | K355 I359 | K355-V357 PolarHBondContact O-N 3.19Å; V357-I359 HydrophobicContact CG1-CG1 4.04Å; V357-I359 PolarHBondContact O-N 3.35Å |
| 358 | V | 43 | Very low | 46.9 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | trans | -74 | 88.5 | 176.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | E356 K360 | E356-V358 PolarHBondContact O-N 2.81Å; V358-K360 HydrophobicContact CG1-CG 4.45Å; V358-K360 PolarHBondContact O-N 3.4Å |
| 359 | I | 48.4 | Very low | 49.2 | Very low | 147 Ų | 147 | 121.7 Ų | 121.7 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | -69.7 | 95.6 | 173.2 | -55 | 179.1 | 0 | 0 | 0 | 108.7 | V357 G361 | V357-I359 HydrophobicContact CG1-CG1 4.04Å; V357-I359 PolarHBondContact O-N 3.35Å; I359-G361 PolarHBondContact O-N 3.39Å |
| 360 | K | 49.4 | Very low | 50.7 | Low | 191 Ų | 191 | 115 Ų | 115 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | | | trans | -70.1 | 97.9 | 166.4 | -71.5 | -176.4 | 178.4 | 179.3 | 0 | 108.6 | V358 G362 | V358-K360 HydrophobicContact CG1-CG 4.45Å; V358-K360 PolarHBondContact O-N 3.4Å; K360-G362 PolarHBondContact O-N 3.08Å |
| 361 | G | 40.7 | Very low | 52.1 | Low | 73 Ų | 73 | 112.9 Ų | 112.9 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | | | trans | -65.2 | 89.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I359 A363 | I359-G361 PolarHBondContact O-N 3.39Å; G361-A363 PolarHBondContact O-N 2.64Å |
| 362 | G | 44.7 | Very low | 54 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | | | trans | -73 | 102.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | K360 A364 | K360-G362 PolarHBondContact O-N 3.08Å; G362-A364 PolarHBondContact O-N 2.84Å |
| 363 | A | 55 | Low | 55.2 | Low | 53 Ų | 53 | 115.5 Ų | 115.5 | 44% | 0.438 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 119 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G361 V372 H373 | G361-A363 PolarHBondContact O-N 2.64Å; A363-V372 HydrophobicContact CB-CG1 3.4Å; A363-V372 VanDerWaalsContact CB-CG1 3.4Å; A363-V372 WeakPolarHBondContact O-CG1 3.48Å; A363-H373 VanDerWaalsContact CB-O 3.3Å; A363-H373 WeakPolarHBondContact CB-O 3.25Å |
| 364 | A | 60.9 | Low | 56.1 | Low | 83 Ų | 83 | 116.6 Ų | 116.6 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 140.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G362 | G362-A364 PolarHBondContact O-N 2.84Š|
| 365 | P | 58.4 | Low | 57.1 | Low | 78 Ų | 78 | 117.5 Ų | 117.5 | 51% | 0.506 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 136.5 | 178.5 | 27.3 | -34 | 0 | 0 | 0 | 111.4 | K371 V372 | P365-K371 WeakPolarHBondContact CA-O 3.15Å; P365-V372 HydrophobicContact CB-CG2 4.07Å |
| 366 | C | 67.7 | Low | 58.1 | Low | 45 Ų | 45 | 113.2 Ų | 113.2 | 30% | 0.304 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 123.5 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | K368 C369 G370 K371 | C366-K368 PolarHBondContact O-N 3.2Å; C366-C369 PolarHBondContact O-N 3.16Å; C366-C369 VanDerWaalsContact O-N 3.12Å; C366-G370 PolarHBondContact O-N 2.92Å; C366-K371 PolarHBondContact N-O 3.43Å |
| 367 | P | 70.2 | Confident | 59.5 | Low | 132 Ų | 132 | 109.4 Ų | 109.4 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -7.6 | -172.7 | 27.3 | -36 | 0 | 0 | 0 | 114.4 | | |
| 368 | K | 76.5 | Confident | 60.6 | Low | 203 Ų | 203 | 108.9 Ų | 108.9 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -14.7 | 176.4 | -67 | -174.1 | 177 | -177.2 | 0 | 114.4 | C366 | C366-K368 PolarHBondContact O-N 3.2Š|
| 369 | C | 84.3 | Confident | 61.8 | Low | 67 Ų | 67 | 108.8 Ų | 108.8 | 45% | 0.453 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.9 | -4.1 | -175.6 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | C366 K371 | C366-C369 PolarHBondContact O-N 3.16Å; C366-C369 VanDerWaalsContact O-N 3.12Å; C369-K371 PolarHBondContact O-N 2.81Å; C369-K371 VanDerWaalsContact O-N 3.07Å |
| 370 | G | 68.4 | Low | 62.8 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | | | trans | 70 | -3.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C366 | C366-G370 PolarHBondContact O-N 2.92Š|
| 371 | K | 64 | Low | 63.8 | Low | 143 Ų | 143 | 99.5 Ų | 99.5 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | | | trans | -88.7 | 140.1 | -177.6 | -64.7 | -172.2 | 179.5 | -177 | 0 | 111.8 | P365 C366 C369 H373 | P365-K371 WeakPolarHBondContact CA-O 3.15Å; C366-K371 PolarHBondContact N-O 3.43Å; C369-K371 PolarHBondContact O-N 2.81Å; C369-K371 VanDerWaalsContact O-N 3.07Å; K371-H373 PolarHBondContact O-CD2 3.13Å |
| 372 | V | 73.6 | Confident | 65.7 | Low | 93 Ų | 93 | 101.8 Ų | 101.8 | 56% | 0.564 | 63% | 0.631 | S | S | * | * | | | trans | -77.1 | 139.1 | 166.3 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | A363 P365 | A363-V372 HydrophobicContact CB-CG1 3.4Å; A363-V372 VanDerWaalsContact CB-CG1 3.4Å; A363-V372 WeakPolarHBondContact O-CG1 3.48Å; P365-V372 HydrophobicContact CB-CG2 4.07Å |
| 373 | H | 64.9 | Low | 67.6 | Low | 190 Ų | 190 | 104.3 Ų | 104.3 | 88% | 0.88 | 62% | 0.619 | S | S | * | * | | | trans | -129.1 | 0 | -173.5 | -80.6 | -73.7 | 0 | 0 | 0 | 111.4 | A363 K371 | A363-H373 VanDerWaalsContact CB-O 3.3Å; A363-H373 WeakPolarHBondContact CB-O 3.25Å; K371-H373 PolarHBondContact O-CD2 3.13Å |