| 1 | M | 39.4 | Very low | 48.9 | Very low | 244 Ų | 244 | 163.1 Ų | 163.1 | 100% | 1.202 | 83% | 0.831 | S | S | * | * | | | | 0 | 129.6 | 0 | -67.9 | 179.7 | 69.8 | 0 | 0 | 108.5 | | |
| 2 | L | 46.2 | Very low | 49.5 | Very low | 173 Ų | 173 | 162.8 Ų | 162.8 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | | | trans | -77.1 | 138.4 | 176.3 | -79.3 | 90.8 | 0 | 0 | 0 | 111.1 | | |
| 3 | Q | 42.5 | Very low | 49.6 | Very low | 197 Ų | 197 | 166.2 Ų | 166.2 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | 179.6 | 114.9 | 150.3 | -107.5 | 170.1 | -34.9 | 0 | 0 | 106.1 | | |
| 4 | G | 39.9 | Very low | 49.8 | Very low | 71 Ų | 71 | 160.9 Ų | 160.9 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | cis | 104.1 | 102.9 | 36.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 5 | S | 50.8 | Low | 50.1 | Low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | -168.5 | 99.1 | 146.5 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | L7 | S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.32Å |
| 6 | Y | 49.1 | Very low | 49.9 | Very low | 222 Ų | 222 | 161.6 Ų | 161.6 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | | | trans | -65.8 | 87.2 | 160.7 | -68.9 | -98.8 | 0 | 0 | 0 | 109.4 | L8 | Y6-L8 VanDerWaalsContact C-N 3.34Å; Y6-L8 PolarHBondContact O-N 2.79Å |
| 7 | L | 55.7 | Low | 50.1 | Low | 137 Ų | 137 | 162.1 Ų | 162.1 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | | | trans | -96.9 | 66.1 | 163.7 | -104.2 | 83.8 | 0 | 0 | 0 | 110.2 | S5 N9 | S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.32Å; L7-N9 PolarHBondContact O-N 3.32Å |
| 8 | L | 53.8 | Low | 49.8 | Very low | 151 Ų | 151 | 158.7 Ų | 158.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -69.7 | 86.8 | 153.6 | -75.6 | 166.2 | 0 | 0 | 0 | 106.9 | Y6 K10 | Y6-L8 VanDerWaalsContact C-N 3.34Å; Y6-L8 PolarHBondContact O-N 2.79Å; L8-K10 PolarHBondContact O-N 3.45Å |
| 9 | N | 51.9 | Low | 49.8 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 100.1 | -176.7 | -139.6 | -13.2 | 0 | 0 | 0 | 109.4 | L7 K11 | L7-N9 PolarHBondContact O-N 3.32Å; N9-K11 PolarHBondContact O-N 3.5Å |
| 10 | K | 58.4 | Low | 50 | Low | 197 Ų | 197 | 154.5 Ų | 154.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -70 | 54.4 | 179.2 | -71.1 | -174.8 | 173.4 | 178.5 | 0 | 113.2 | L8 | L8-K10 PolarHBondContact O-N 3.45Š|
| 11 | K | 50.7 | Low | 50.1 | Low | 173 Ų | 173 | 152.6 Ų | 152.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -135.9 | 65.4 | -177.9 | -71 | -170.8 | 178.9 | -178.8 | 0 | 114.7 | N9 | N9-K11 PolarHBondContact O-N 3.5Š|
| 12 | L | 55.4 | Low | 50.8 | Low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -131.9 | 55.5 | 149.7 | -69.8 | 174.3 | 0 | 0 | 0 | 109.6 | S14 | L12-S14 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact O-N 3.1Å |
| 13 | K | 50.7 | Low | 51.4 | Low | 207 Ų | 207 | 148.6 Ų | 148.6 | 90% | 0.9 | 77% | 0.773 | S | S | * | * | | | trans | -76.5 | 72.6 | 159.1 | -74.3 | -175.4 | 176.3 | -177.2 | 0 | 108.4 | | |
| 14 | S | 53.4 | Low | 51.9 | Low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -164.7 | 48.9 | 166 | 65 | 0 | 0 | 0 | 0 | 112.2 | L12 K16 | L12-S14 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.29Å |
| 15 | L | 53.2 | Low | 52.5 | Low | 131 Ų | 131 | 146.1 Ų | 146.1 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | -83.6 | 80.3 | 151.2 | -100.4 | 97.9 | 0 | 0 | 0 | 107.3 | F17 | L15-F17 HydrophobicContact CB-CD2 4.14Å; L15-F17 HydrophobicContact CB-CE2 3.89Å; L15-F17 HydrophobicContact CB-CZ 4.48Å; L15-F17 HydrophobicContact CD2-CD1 4.4Å; L15-F17 HydrophobicContact CD2-CD2 4.22Å; L15-F17 HydrophobicContact CD2-CE1 3.69Å; L15-F17 HydrophobicContact CD2-CE2 3.47Å; L15-F17 VanDerWaalsContact CD2-CE2 3.47Å; L15-F17 HydrophobicContact CD2-CZ 3.18Å; L15-F17 HydrophobicContact CG-CE2 4.32Å; L15-F17 HydrophobicContact CG-CZ 4.42Å; L15-F17 PolarHBondContact O-N 3.16Å |
| 16 | K | 48 | Very low | 52.6 | Low | 203 Ų | 203 | 147.2 Ų | 147.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -70.4 | 92.1 | 155.8 | -82.1 | 177 | 170.9 | -179.3 | 0 | 105.6 | S14 S18 | S14-K16 PolarHBondContact O-N 3.29Å; K16-S18 VanDerWaalsContact C-N 3.28Å; K16-S18 PolarHBondContact O-N 3.43Å |
| 17 | F | 52.4 | Low | 52.8 | Low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | 97.6 | 162.4 | -71.6 | -83 | 0 | 0 | 0 | 106.4 | L15 S19 | L15-F17 HydrophobicContact CB-CD2 4.14Å; L15-F17 HydrophobicContact CB-CE2 3.89Å; L15-F17 HydrophobicContact CB-CZ 4.48Å; L15-F17 HydrophobicContact CD2-CD1 4.4Å; L15-F17 HydrophobicContact CD2-CD2 4.22Å; L15-F17 HydrophobicContact CD2-CE1 3.69Å; L15-F17 HydrophobicContact CD2-CE2 3.47Å; L15-F17 VanDerWaalsContact CD2-CE2 3.47Å; L15-F17 HydrophobicContact CD2-CZ 3.18Å; L15-F17 HydrophobicContact CG-CE2 4.32Å; L15-F17 HydrophobicContact CG-CZ 4.42Å; L15-F17 PolarHBondContact O-N 3.16Å; F17-S19 PolarHBondContact O-N 3.23Å |
| 18 | S | 44.2 | Very low | 52.3 | Low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -66.9 | 95.8 | 161.6 | -151.9 | 0 | 0 | 0 | 0 | 105.7 | K16 D20 | K16-S18 VanDerWaalsContact C-N 3.28Å; K16-S18 PolarHBondContact O-N 3.43Å; S18-D20 PolarHBondContact O-N 2.79Å |
| 19 | S | 50.8 | Low | 52.2 | Low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -76.6 | 70.2 | 166.9 | 57.2 | 0 | 0 | 0 | 0 | 107.7 | F17 S21 | F17-S19 PolarHBondContact O-N 3.23Å; S19-S21 PolarHBondContact O-N 2.73Å; S19-S21 VanDerWaalsContact O-N 3.12Å |
| 20 | D | 52.7 | Low | 52.3 | Low | 123 Ų | 123 | 138.8 Ų | 138.8 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | | | trans | -70.2 | 107 | 162.7 | -96.3 | -54 | 0 | 0 | 0 | 107.1 | S18 R22 | S18-D20 PolarHBondContact O-N 2.79Å; D20-R22 PolarHBondContact O-N 2.88Å |
| 21 | S | 52.5 | Low | 52.3 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -71.6 | 51.4 | -176.8 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | S19 | S19-S21 PolarHBondContact O-N 2.73Å; S19-S21 VanDerWaalsContact O-N 3.12Å |
| 22 | R | 54.1 | Low | 52.5 | Low | 214 Ų | 214 | 139.1 Ų | 139.1 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 118.5 | 164.8 | -67.8 | -173.1 | -155.2 | -171.2 | 6.2 | 108.6 | D20 | D20-R22 PolarHBondContact O-N 2.88Š|
| 23 | P | 58.9 | Low | 52.2 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.8 | 172.4 | 24.2 | -30.2 | 0 | 0 | 0 | 108.3 | | |
| 24 | P | 54.2 | Low | 52.2 | Low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.9 | 178.5 | 24.6 | -32.3 | 0 | 0 | 0 | 109.5 | S26 | P24-S26 PolarHBondContact O-N 3.18Š|
| 25 | P | 52.8 | Low | 52.4 | Low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.2 | 175 | 25.4 | -32.6 | 0 | 0 | 0 | 109.2 | G27 | P25-G27 PolarHBondContact O-N 2.82Š|
| 26 | S | 51.6 | Low | 52.5 | Low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.2 | 115 | -179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | P24 | P24-S26 PolarHBondContact O-N 3.18Š|
| 27 | G | 52.9 | Low | 52.6 | Low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.2 | -25.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P25 V29 | P25-G27 PolarHBondContact O-N 2.82Å; G27-V29 PolarHBondContact O-N 3.4Å; G27-V29 VanDerWaalsContact O-N 3.17Å |
| 28 | E | 46.1 | Very low | 52.8 | Low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -91 | 87.8 | -178.2 | -67.8 | -169.2 | -178.1 | 0 | 0 | 111.3 | S30 | E28-S30 PolarHBondContact O-N 2.86Š|
| 29 | V | 50.8 | Low | 53.3 | Low | 134 Ų | 134 | 147.4 Ų | 147.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -55.3 | 106.9 | 167.7 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | G27 K31 | G27-V29 PolarHBondContact O-N 3.4Å; G27-V29 VanDerWaalsContact O-N 3.17Å; V29-K31 PolarHBondContact O-N 3.13Å |
| 30 | S | 53.7 | Low | 53.3 | Low | 81 Ų | 81 | 154 Ų | 154 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | | | trans | -48.1 | 124 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | E28 F32 S33 | E28-S30 PolarHBondContact O-N 2.86Å; S30-F32 PolarHBondContact O-N 3.25Å; S30-S33 PolarHBondContact O-N 3.46Å |
| 31 | K | 59.7 | Low | 53.5 | Low | 187 Ų | 187 | 157 Ų | 157 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -5.1 | 178.3 | -71.5 | 175.2 | 178.7 | 172.6 | 0 | 114.2 | V29 S33 | V29-K31 PolarHBondContact O-N 3.13Å; K31-S33 VanDerWaalsContact C-N 3.28Å |
| 32 | F | 53.9 | Low | 53.4 | Low | 190 Ų | 190 | 160.7 Ų | 160.7 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -3.5 | 171.4 | -74.1 | -81 | 0 | 0 | 0 | 114.5 | S30 L34 | S30-F32 PolarHBondContact O-N 3.25Å; F32-L34 PolarHBondContact O-N 3.05Å; F32-L34 VanDerWaalsContact O-N 3.1Å |
| 33 | S | 48.7 | Very low | 53.3 | Low | 100 Ų | 100 | 156.8 Ų | 156.8 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -78.8 | 27.6 | 168.2 | -168.7 | 0 | 0 | 0 | 0 | 113.8 | S30 K31 R35 | S30-S33 PolarHBondContact O-N 3.46Å; K31-S33 VanDerWaalsContact C-N 3.28Å; S33-R35 PolarHBondContact O-N 3.29Å; S33-R35 VanDerWaalsContact O-N 3.14Å |
| 34 | L | 52.2 | Low | 53.3 | Low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -74.8 | 13.3 | 171.4 | -81.4 | 169.1 | 0 | 0 | 0 | 113.6 | F32 | F32-L34 PolarHBondContact O-N 3.05Å; F32-L34 VanDerWaalsContact O-N 3.1Å |
| 35 | R | 57.1 | Low | 53.4 | Low | 223 Ų | 223 | 157.8 Ų | 157.8 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -111.5 | 119.8 | 171.8 | -77.9 | 179.7 | 142.9 | -147.1 | -4.9 | 109.3 | S33 | S33-R35 PolarHBondContact O-N 3.29Å; S33-R35 VanDerWaalsContact O-N 3.14Å |
| 36 | R | 54.5 | Low | 53.5 | Low | 233 Ų | 233 | 161.8 Ų | 161.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 97.1 | 67 | 154.2 | -156.3 | -165.8 | -52.1 | -174.5 | 3.1 | 117.1 | | |
| 37 | R | 50.2 | Low | 53.3 | Low | 242 Ų | 242 | 162.2 Ų | 162.2 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -149.1 | 55.5 | 140.1 | -70.8 | -160.1 | 132.9 | 176.7 | -5.5 | 112.1 | S39 | R37-S39 PolarHBondContact O-N 2.86Š|
| 38 | L | 57.7 | Low | 53.5 | Low | 179 Ų | 179 | 165.3 Ų | 165.3 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | | | trans | -75.6 | 75.2 | 147.8 | -69.2 | 173.6 | 0 | 0 | 0 | 105.8 | R40 | L38-R40 PolarHBondContact O-N 3.34Š|
| 39 | S | 54.3 | Low | 53.9 | Low | 97 Ų | 97 | 162.8 Ų | 162.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -65.6 | 132 | 169.4 | 67.8 | 0 | 0 | 0 | 0 | 106.9 | R37 K41 | R37-S39 PolarHBondContact O-N 2.86Å; S39-K41 VanDerWaalsContact C-N 3.28Å; S39-K41 PolarHBondContact O-N 3.43Å |
| 40 | R | 51.7 | Low | 53.8 | Low | 248 Ų | 248 | 163.5 Ų | 163.5 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -57.8 | 85.2 | 179.5 | -63.2 | 170.2 | 168.6 | -179.6 | -5.7 | 109.8 | L38 K42 | L38-R40 PolarHBondContact O-N 3.34Å; R40-K42 PolarHBondContact O-N 2.88Å |
| 41 | K | 56.5 | Low | 53.6 | Low | 186 Ų | 186 | 168.9 Ų | 168.9 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | | | trans | -89.9 | 98.8 | 163.4 | -154.8 | 169.6 | -177.8 | -177.6 | 0 | 106.2 | S39 N43 | S39-K41 VanDerWaalsContact C-N 3.28Å; S39-K41 PolarHBondContact O-N 3.43Å; K41-N43 PolarHBondContact O-N 3.4Å |
| 42 | K | 49.6 | Very low | 53.1 | Low | 195 Ų | 195 | 166 Ų | 166 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -50.9 | 119.2 | 171.3 | -66.1 | -178 | 175.5 | -174 | 0 | 107.4 | R40 P44 | R40-K42 PolarHBondContact O-N 2.88Å; K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 3.36Å |
| 43 | N | 52.8 | Low | 52.8 | Low | 131 Ų | 131 | 160.5 Ų | 160.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -84.4 | 112.1 | 165.4 | -81.1 | -47 | 0 | 0 | 0 | 106.7 | K41 D45 | K41-N43 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact O-N 2.75Å |
| 44 | P | 57.4 | Low | 52.8 | Low | 104 Ų | 104 | 164.2 Ų | 164.2 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -76.3 | -3.1 | 177.4 | 30.2 | -33.6 | 0 | 0 | 0 | 114.1 | K42 F46 | K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 3.36Å; P44-F46 PolarHBondContact O-N 3.44Å; P44-F46 VanDerWaalsContact O-N 3.1Å |
| 45 | D | 57.4 | Low | 52.7 | Low | 136 Ų | 136 | 164.4 Ų | 164.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -74.1 | 2.8 | -177.6 | -63.8 | -34.8 | 0 | 0 | 0 | 115.1 | N43 | N43-D45 PolarHBondContact O-N 2.75Š|
| 46 | F | 53.9 | Low | 52 | Low | 199 Ų | 199 | 162 Ų | 162 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -114.2 | 22 | 179.6 | -91.9 | -83.1 | 0 | 0 | 0 | 113.5 | P44 | P44-F46 PolarHBondContact O-N 3.44Å; P44-F46 VanDerWaalsContact O-N 3.1Å |
| 47 | D | 47.9 | Very low | 51.3 | Low | 135 Ų | 135 | 153.9 Ų | 153.9 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -100.5 | 65.4 | 169.8 | -151.8 | 0.4 | 0 | 0 | 0 | 110.2 | D49 | D47-D49 VanDerWaalsContact C-N 3.33Š|
| 48 | V | 56.8 | Low | 51 | Low | 135 Ų | 135 | 152.3 Ų | 152.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -102.1 | 66.5 | 165.6 | -171 | 0 | 0 | 0 | 0 | 107.4 | K50 | V48-K50 PolarHBondContact O-N 3.36Š|
| 49 | D | 55.5 | Low | 50.2 | Low | 122 Ų | 122 | 153.5 Ų | 153.5 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 116.3 | 168.3 | -146.2 | 8.7 | 0 | 0 | 0 | 108 | D47 | D47-D49 VanDerWaalsContact C-N 3.33Š|
| 50 | K | 49.2 | Very low | 49.5 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | | | trans | 106.1 | 103.4 | 149.9 | -49.2 | -155.9 | -175.9 | 179.9 | 0 | 120.9 | V48 | V48-K50 PolarHBondContact O-N 3.36Š|
| 51 | K | 48.8 | Very low | 49.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | | 60.6 | 119 | 127.3 | -54.7 | -172.1 | -177.5 | -174.7 | 0 | 117.2 | | |
| 52 | S | 49.5 | Very low | 48.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | | -163 | 132.6 | 68.7 | 51 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | G | 46.9 | Very low | 48.6 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -166.3 | 67.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | D55 | G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 2.99Å |
| 54 | K | 48 | Very low | 48.6 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | -95.3 | 52.4 | -172.6 | -149.3 | -165 | -165.7 | -168.9 | 0 | 109.8 | Q56 | K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.04Å; K54-Q56 VanDerWaalsContact O-N 3.09Å |
| 55 | D | 50.6 | Low | 48.4 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | -86.2 | 78.3 | 170.3 | -70.7 | -36 | 0 | 0 | 0 | 109.2 | G53 G57 | G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 2.99Å; D55-G57 PolarHBondContact O-N 3.39Å |
| 56 | Q | 42.5 | Very low | 48.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -72.1 | 103.9 | 159.2 | -72.5 | -177 | -15 | 0 | 0 | 107.9 | K54 | K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.04Å; K54-Q56 VanDerWaalsContact O-N 3.09Å |
| 57 | G | 40.8 | Very low | 48.3 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | | | trans | -161 | 79.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D55 | D55-G57 PolarHBondContact O-N 3.39Š|
| 58 | K | 42.3 | Very low | 48.8 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | 61.5 | 92.9 | 148.3 | -52.2 | -176.7 | -178.4 | -177.2 | 0 | 117.4 | | |
| 59 | Q | 42.5 | Very low | 49 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | | | trans | -139.8 | 100.5 | 141.6 | -104.7 | 171.5 | -0.1 | 0 | 0 | 109 | | |
| 60 | G | 39.3 | Very low | 49.2 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -83.2 | 176.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 61 | A | 44.5 | Very low | 49.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | 77.7 | 79.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G63 | A61-G63 PolarHBondContact O-N 3.03Š|
| 62 | A | 49.7 | Very low | 50.6 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | | | | 36.9 | 73.8 | 119.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 63 | G | 45 | Very low | 51.4 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -111.6 | 106.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109 | A61 S65 | A61-G63 PolarHBondContact O-N 3.03Å; G63-S65 PolarHBondContact O-N 2.78Å |
| 64 | A | 52.5 | Low | 52.3 | Low | 80 Ų | 80 | 141.5 Ų | 141.5 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | -50.2 | 123 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H66 | A64-H66 PolarHBondContact O-N 3.28Å; A64-H66 PolarHBondContact O-ND1 3.21Å |
| 65 | S | 52.9 | Low | 53.5 | Low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | -30.6 | 92.9 | 159.7 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | G63 Y67 | G63-S65 PolarHBondContact O-N 2.78Å; S65-Y67 VanDerWaalsContact C-N 3.27Å |
| 66 | H | 56.8 | Low | 54.3 | Low | 148 Ų | 148 | 142.3 Ų | 142.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -98.3 | 34.1 | 165.5 | -84.8 | 66 | 0 | 0 | 0 | 110.8 | A64 R68 | A64-H66 PolarHBondContact O-N 3.28Å; A64-H66 PolarHBondContact O-ND1 3.21Å; H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 3.09Å |
| 67 | Y | 51.9 | Low | 55.6 | Low | 184 Ų | 184 | 139.4 Ų | 139.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | -77.6 | 76.4 | 168.2 | -59.4 | -77.8 | 0 | 0 | 0 | 109.4 | S65 R69 | S65-Y67 VanDerWaalsContact C-N 3.27Å; Y67-R69 PolarHBondContact O-N 3.35Å |
| 68 | R | 59.7 | Low | 56.7 | Low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -65.7 | 107.3 | 154.9 | -81.2 | -169.6 | 178.8 | -133.8 | 1.2 | 106.2 | H66 G70 S71 | H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 3.09Å; R68-G70 PolarHBondContact O-N 3.02Å; R68-S71 PolarHBondContact O-N 2.94Å; R68-S71 PolarHBondContact O-OG 3.49Å |
| 69 | R | 60.9 | Low | 57.8 | Low | 260 Ų | 260 | 138.9 Ų | 138.9 | 98% | 0.981 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | 96.3 | 176 | -170.5 | 176.6 | -178.6 | 173.1 | 0.4 | 109.2 | Y67 | Y67-R69 PolarHBondContact O-N 3.35Š|
| 70 | G | 58.5 | Low | 58.7 | Low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.1 | -21.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R68 F72 | R68-G70 PolarHBondContact O-N 3.02Å; G70-F72 PolarHBondContact O-N 2.92Å |
| 71 | S | 62.1 | Low | 59.5 | Low | 71 Ų | 71 | 137 Ų | 137 | 50% | 0.497 | 74% | 0.741 | S | S | . | * | | | trans | -95.7 | 97 | 172.1 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | R68 L73 | R68-S71 PolarHBondContact O-N 2.94Å; R68-S71 PolarHBondContact O-OG 3.49Å; S71-L73 PolarHBondContact O-N 2.97Å |
| 72 | F | 65.2 | Low | 60.2 | Low | 170 Ų | 170 | 139 Ų | 139 | 75% | 0.746 | 74% | 0.737 | S | S | * | * | | | trans | -71 | -1.5 | 170.2 | 58.7 | -90.3 | 0 | 0 | 0 | 113.2 | G70 Y74 | G70-F72 PolarHBondContact O-N 2.92Å; F72-Y74 PolarHBondContact O-N 3.46Å |
| 73 | L | 66.2 | Low | 60.6 | Low | 128 Ų | 128 | 138.3 Ų | 138.3 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | | | trans | -81.5 | 100.9 | -178.2 | -64.8 | 174.6 | 0 | 0 | 0 | 109.2 | S71 R75 | S71-L73 PolarHBondContact O-N 2.97Å; L73-R75 PolarHBondContact O-N 3.18Å |
| 74 | Y | 67.5 | Low | 60.9 | Low | 193 Ų | 193 | 144.1 Ų | 144.1 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | | | trans | -59.5 | 127.8 | 161 | -71.6 | -90.5 | 0 | 0 | 0 | 108.1 | F72 I76 | F72-Y74 PolarHBondContact O-N 3.46Å; Y74-I76 PolarHBondContact O-N 3.35Å |
| 75 | R | 71.4 | Confident | 60.7 | Low | 215 Ų | 215 | 143.2 Ų | 143.2 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | -71.6 | 119 | 164 | -61.6 | -174 | -162.9 | -172.5 | 5.9 | 105.6 | L73 D77 | L73-R75 PolarHBondContact O-N 3.18Å; R75-D77 PolarHBondContact O-N 3.33Å |
| 76 | I | 67.7 | Low | 60.5 | Low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | | | trans | -81.8 | 111.7 | 171.9 | -58.6 | 172.5 | 0 | 0 | 0 | 105.1 | Y74 S78 | Y74-I76 PolarHBondContact O-N 3.35Å; I76-S78 PolarHBondContact O-N 3.3Å; I76-S78 VanDerWaalsContact O-N 3.16Å |
| 77 | D | 69.9 | Low | 60.1 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 60% | 0.599 | 72% | 0.723 | S | S | * | * | | | trans | -60.8 | 116.6 | 169.9 | -66.1 | -32.4 | 0 | 0 | 0 | 107.1 | R75 D79 A80 | R75-D77 PolarHBondContact O-N 3.33Å; D77-D79 WeakPolarHBondContact CB-OD1 3.34Å; D77-D79 PolarHBondContact O-N 3.45Å; D77-A80 WeakPolarHBondContact O-CB 3.45Å; D77-A80 PolarHBondContact O-N 3.36Å |
| 78 | S | 64.9 | Low | 60 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -16.9 | -169 | -37.7 | 0 | 0 | 0 | 0 | 112.5 | I76 | I76-S78 PolarHBondContact O-N 3.3Å; I76-S78 VanDerWaalsContact O-N 3.16Å |
| 79 | D | 65.8 | Low | 59.5 | Low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -3.1 | 179.1 | 63.6 | -28.4 | 0 | 0 | 0 | 112.8 | D77 E81 | D77-D79 WeakPolarHBondContact CB-OD1 3.34Å; D77-D79 PolarHBondContact O-N 3.45Å; D79-E81 PolarHBondContact O-N 3.28Å |
| 80 | A | 60.6 | Low | 59 | Low | 64 Ų | 64 | 127.3 Ų | 127.3 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -65.4 | 91.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | D77 L82 | D77-A80 WeakPolarHBondContact O-CB 3.45Å; D77-A80 PolarHBondContact O-N 3.36Å; A80-L82 PolarHBondContact O-N 3.41Å |
| 81 | E | 56.1 | Low | 58.6 | Low | 177 Ų | 177 | 127.8 Ų | 127.8 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | | | trans | -50.4 | 96.5 | 166.5 | -68.8 | -176.1 | 175.4 | 0 | 0 | 107.2 | D79 P83 | D79-E81 PolarHBondContact O-N 3.28Å; E81-P83 WeakPolarHBondContact O-CD 3.35Å; E81-P83 VanDerWaalsContact O-N 3.07Å |
| 82 | L | 58.9 | Low | 58 | Low | 141 Ų | 141 | 133 Ų | 133 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | | | trans | -54.2 | 118.6 | 168.1 | -83.9 | 157 | 0 | 0 | 0 | 104.9 | A80 H84 | A80-L82 PolarHBondContact O-N 3.41Å; L82-H84 PolarHBondContact O-N 3.17Å |
| 83 | P | 57.2 | Low | 57.3 | Low | 99 Ų | 99 | 132.5 Ų | 132.5 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | trans | -58.1 | 108.7 | -177.1 | 21 | -31.5 | 0 | 0 | 0 | 107.8 | E81 G85 A86 | E81-P83 WeakPolarHBondContact O-CD 3.35Å; E81-P83 VanDerWaalsContact O-N 3.07Å; P83-G85 PolarHBondContact O-N 3.38Å; P83-A86 HydrophobicContact CG-CB 4.5Å; P83-A86 PolarHBondContact O-N 3.31Å |
| 84 | H | 52.8 | Low | 56.4 | Low | 194 Ų | 194 | 134.9 Ų | 134.9 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 1.3 | 177.4 | -68.7 | -63.2 | 0 | 0 | 0 | 112.6 | L82 | L82-H84 PolarHBondContact O-N 3.17Š|
| 85 | G | 47.1 | Very low | 55.5 | Low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P83 T87 | P83-G85 PolarHBondContact O-N 3.38Å; G85-T87 PolarHBondContact O-N 3.45Å; G85-T87 PolarHBondContact O-OG1 2.91Å |
| 86 | A | 49.1 | Very low | 54.5 | Low | 67 Ų | 67 | 130.4 Ų | 130.4 | 55% | 0.554 | 69% | 0.692 | S | S | * | * | | | trans | -75 | 78 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P83 R88 | P83-A86 HydrophobicContact CG-CB 4.5Å; P83-A86 PolarHBondContact O-N 3.31Å; A86-R88 PolarHBondContact O-N 3.16Å |
| 87 | T | 47.8 | Very low | 53.7 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -46.1 | 107 | 167.2 | -27.6 | 0 | 0 | 0 | 0 | 106.8 | G85 H89 | G85-T87 PolarHBondContact O-N 3.45Å; G85-T87 PolarHBondContact O-OG1 2.91Å; T87-H89 PolarHBondContact O-CD2 2.94Å; T87-H89 PolarHBondContact O-N 3.42Å |
| 88 | R | 49.9 | Very low | 52.6 | Low | 173 Ų | 173 | 126.8 Ų | 126.8 | 65% | 0.653 | 69% | 0.685 | S | S | * | * | | | trans | -68.9 | 85 | -176.2 | -68.7 | 178.7 | 171.2 | -163.7 | 1.4 | 108 | A86 S90 D91 | A86-R88 PolarHBondContact O-N 3.16Å; R88-S90 PolarHBondContact O-N 2.88Å; R88-D91 HydrophobicContact CB-CB 4.28Å; R88-D91 WeakPolarHBondContact CB-OD2 3.35Å; R88-D91 WeakPolarHBondContact CD-OD2 3.19Å; R88-D91 PolarHBondContact O-N 3.45Å |
| 89 | H | 49.1 | Very low | 52 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -10 | 170.9 | -76 | -74.9 | 0 | 0 | 0 | 112.4 | T87 | T87-H89 PolarHBondContact O-CD2 2.94Å; T87-H89 PolarHBondContact O-N 3.42Å |
| 90 | S | 51.4 | Low | 51.4 | Low | 57 Ų | 57 | 126.7 Ų | 126.7 | 40% | 0.399 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -11.6 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | R88 Q92 Q93 R94 | R88-S90 PolarHBondContact O-N 2.88Å; S90-Q92 PolarHBondContact O-N 3.13Å; S90-Q93 PolarHBondContact O-N 3.43Å; S90-R94 PolarHBondContact O-N 3.18Å |
| 91 | D | 50.3 | Low | 51.3 | Low | 82 Ų | 82 | 127 Ų | 127 | 44% | 0.439 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | -17.2 | 179 | -72.7 | -11.6 | 0 | 0 | 0 | 111.7 | R88 | R88-D91 HydrophobicContact CB-CB 4.28Å; R88-D91 WeakPolarHBondContact CB-OD2 3.35Å; R88-D91 WeakPolarHBondContact CD-OD2 3.19Å; R88-D91 PolarHBondContact O-N 3.45Å |
| 92 | Q | 49.2 | Very low | 51.3 | Low | 182 Ų | 182 | 124.9 Ų | 124.9 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -13.3 | 171.7 | -76.7 | -177 | -19.6 | 0 | 0 | 114.5 | S90 | S90-Q92 PolarHBondContact O-N 3.13Š|
| 93 | Q | 51.1 | Low | 51.1 | Low | 159 Ų | 159 | 120 Ų | 120 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 0 | 177.5 | -71.6 | -168 | -17.7 | 0 | 0 | 114.5 | S90 | S90-Q93 PolarHBondContact O-N 3.43Š|
| 94 | R | 46.6 | Very low | 51.2 | Low | 177 Ų | 177 | 123.3 Ų | 123.3 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -6.4 | -172.4 | -101.2 | -176.6 | 167.2 | -170.9 | -2.6 | 116.8 | S90 | S90-R94 PolarHBondContact O-N 3.18Š|
| 95 | N | 48.8 | Very low | 51.5 | Low | 154 Ų | 154 | 118 Ų | 118 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -7.2 | -176.9 | -73.1 | -12 | 0 | 0 | 0 | 115.6 | | |
| 96 | E | 50.1 | Low | 52.1 | Low | 161 Ų | 161 | 120.3 Ų | 120.3 | 75% | 0.752 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -20.6 | -179.9 | -65.2 | -167.7 | 176.7 | 0 | 0 | 115.7 | | |
| 97 | L | 50.5 | Low | 52.2 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -101.3 | -8.7 | -173 | -78.3 | 162 | 0 | 0 | 0 | 116.2 | T101 | L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-OG1 3.1Å |
| 98 | G | 47.4 | Very low | 52.7 | Low | 51 Ų | 51 | 117 Ų | 117 | 53% | 0.526 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -92.5 | -54.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F102 | G98-F102 PolarHBondContact O-N 3.3Š|
| 99 | L | 52.1 | Low | 53.1 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -80.8 | -38.8 | -173.2 | -75.7 | 165.6 | 0 | 0 | 0 | 112.1 | F102 C103 | L99-F102 PolarHBondContact O-N 3.5Å; L99-C103 VanDerWaalsContact O-CB 3.26Å; L99-C103 WeakPolarHBondContact O-CB 3.18Å; L99-C103 PolarHBondContact O-N 3.17Å; L99-C103 PolarHBondContact O-SG 3.08Å |
| 100 | D | 54.1 | Low | 53.3 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 178.8 | -77.7 | -11.6 | 0 | 0 | 0 | 111.4 | F102 C103 R104 | D100-F102 PolarHBondContact O-N 3.08Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-R104 WeakPolarHBondContact O-CB 3.2Å; D100-R104 PolarHBondContact O-N 3.28Å |
| 101 | T | 57.2 | Low | 53.4 | Low | 70 Ų | 70 | 119.3 Ų | 119.3 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -42.9 | 178.4 | -38.3 | 0 | 0 | 0 | 0 | 111.6 | L97 R104 L105 | L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-OG1 3.1Å; T101-R104 PolarHBondContact O-N 3.19Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 PolarHBondContact O-N 3.47Å |
| 102 | F | 56.2 | Low | 53.4 | Low | 134 Ų | 134 | 117.3 Ų | 117.3 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.8 | -43 | 178.1 | -175.8 | -99.2 | 0 | 0 | 0 | 112.4 | G98 L99 D100 R106 | G98-F102 PolarHBondContact O-N 3.3Å; L99-F102 PolarHBondContact O-N 3.5Å; D100-F102 PolarHBondContact O-N 3.08Å; F102-R106 VanDerWaalsContact O-CB 3.25Å; F102-R106 WeakPolarHBondContact O-CB 3.13Å; F102-R106 PolarHBondContact O-N 3.37Å |
| 103 | C | 55.3 | Low | 53.8 | Low | 37 Ų | 37 | 116.2 Ų | 116.2 | 25% | 0.25 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -66 | -40.9 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | L99 D100 R106 N107 | L99-C103 VanDerWaalsContact O-CB 3.26Å; L99-C103 WeakPolarHBondContact O-CB 3.18Å; L99-C103 PolarHBondContact O-N 3.17Å; L99-C103 PolarHBondContact O-SG 3.08Å; D100-C103 PolarHBondContact O-N 2.98Å; C103-R106 PolarHBondContact O-N 3.48Å; C103-N107 WeakPolarHBondContact O-CB 3.03Å; C103-N107 PolarHBondContact O-N 2.64Å; C103-N107 PolarHBondContact O-ND2 3.45Å |
| 104 | R | 58.7 | Low | 53.8 | Low | 170 Ų | 170 | 117.5 Ų | 117.5 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.3 | -51.3 | 175.3 | -176.7 | 175.6 | 175.9 | 164.4 | 1.5 | 111.6 | D100 T101 R106 N107 E108 | D100-R104 WeakPolarHBondContact O-CB 3.2Å; D100-R104 PolarHBondContact O-N 3.28Å; T101-R104 PolarHBondContact O-N 3.19Å; R104-R106 PolarHBondContact O-N 3.36Å; R104-N107 PolarHBondContact O-N 3.4Å; R104-N107 VanDerWaalsContact O-N 3.16Å; R104-E108 HydrophobicContact CG-CG 4.46Å; R104-E108 WeakPolarHBondContact CG-OE1 3.33Å; R104-E108 IonicContact CZ-OE1 3.95Å; R104-E108 IonicContact NE-OE1 3.05Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 3.95Å; R104-E108 WeakPolarHBondContact O-CB 3.45Å; R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.91Å |
| 105 | L | 59.4 | Low | 54.2 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.9 | -36.7 | 178.9 | -141.7 | 92.3 | 0 | 0 | 0 | 111.8 | T101 R109 | T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 PolarHBondContact O-N 3.47Å; L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 WeakPolarHBondContact O-CG 3.45Å; L105-R109 PolarHBondContact O-N 3.01Å |
| 106 | R | 59.5 | Low | 54.6 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.2 | -38.1 | 177.7 | -170.6 | 176.9 | -177.4 | 167.5 | 2.9 | 112.3 | F102 C103 R104 R110 I120 | F102-R106 VanDerWaalsContact O-CB 3.25Å; F102-R106 WeakPolarHBondContact O-CB 3.13Å; F102-R106 PolarHBondContact O-N 3.37Å; C103-R106 PolarHBondContact O-N 3.48Å; R104-R106 PolarHBondContact O-N 3.36Å; R106-R110 PolarHBondContact O-N 3.5Å; R106-I120 HydrophobicContact CG-CD1 4.03Å |
| 107 | N | 51.2 | Low | 54.6 | Low | 25 Ų | 25 | 108.7 Ų | 108.7 | 13% | 0.134 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 174.6 | -74.4 | -22.3 | 0 | 0 | 0 | 110.6 | C103 R104 R109 R110 F111 I120 | C103-N107 WeakPolarHBondContact O-CB 3.03Å; C103-N107 PolarHBondContact O-N 2.64Å; C103-N107 PolarHBondContact O-ND2 3.45Å; R104-N107 PolarHBondContact O-N 3.4Å; R104-N107 VanDerWaalsContact O-N 3.16Å; N107-R109 VanDerWaalsContact C-N 3.34Å; N107-R109 PolarHBondContact O-N 3.42Å; N107-R110 PolarHBondContact O-N 3.07Å; N107-F111 PolarHBondContact O-N 3.37Å; N107-I120 VanDerWaalsContact OD1-CD1 3.24Å; N107-I120 WeakPolarHBondContact OD1-CD1 3.38Å; N107-I120 WeakPolarHBondContact OD1-CG1 3.34Å; N107-I120 PolarHBondContact OD1-N 2.96Å |
| 108 | E | 58.2 | Low | 54.9 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 39% | 0.393 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 176.7 | -73.7 | 174.7 | -172.8 | 0 | 0 | 111.6 | R104 R110 G112 | R104-E108 HydrophobicContact CG-CG 4.46Å; R104-E108 WeakPolarHBondContact CG-OE1 3.33Å; R104-E108 IonicContact CZ-OE1 3.95Å; R104-E108 IonicContact NE-OE1 3.05Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 3.95Å; R104-E108 WeakPolarHBondContact O-CB 3.45Å; R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.91Å; E108-R110 PolarHBondContact O-N 3.46Å; E108-G112 VanDerWaalsContact O-CA 3.3Å; E108-G112 WeakPolarHBondContact O-CA 3.25Å; E108-G112 PolarHBondContact O-N 3.2Å |
| 109 | R | 58.9 | Low | 55.3 | Low | 207 Ų | 207 | 107 Ų | 107 | 78% | 0.781 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.1 | -31.4 | 177.2 | -78.3 | -174.3 | -168.8 | -160.6 | 5.1 | 114.4 | L105 N107 | L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 WeakPolarHBondContact O-CG 3.45Å; L105-R109 PolarHBondContact O-N 3.01Å; N107-R109 VanDerWaalsContact C-N 3.34Å; N107-R109 PolarHBondContact O-N 3.42Å |
| 110 | R | 53.7 | Low | 55.5 | Low | 160 Ų | 160 | 101.9 Ų | 101.9 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -90.5 | -36.4 | -176.3 | -79.9 | -169.6 | 174.2 | -163.2 | -3.7 | 113.2 | R106 N107 E108 | R106-R110 PolarHBondContact O-N 3.5Å; N107-R110 PolarHBondContact O-N 3.07Å; E108-R110 PolarHBondContact O-N 3.46Å |
| 111 | F | 53.3 | Low | 55.6 | Low | 73 Ų | 73 | 99.5 Ų | 99.5 | 32% | 0.32 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -112.4 | -9.4 | -171.6 | -60.4 | -73.1 | 0 | 0 | 0 | 113.5 | N107 R114 A117 | N107-F111 PolarHBondContact O-N 3.37Å; F111-R114 WeakPolarHBondContact O-CB 3.43Å; F111-R114 WeakPolarHBondContact O-CD 3.18Å; F111-R114 WeakPolarHBondContact O-CG 3.24Å; F111-A117 HydrophobicContact CB-CB 3.41Å; F111-A117 VanDerWaalsContact CB-CB 3.41Å; F111-A117 HydrophobicContact CD1-CB 4.38Å; F111-A117 HydrophobicContact CD2-CB 4.12Å; F111-A117 HydrophobicContact CG-CB 3.73Å |
| 112 | G | 50.8 | Low | 55.5 | Low | 40 Ų | 40 | 98.1 Ų | 98.1 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | | | trans | 57.6 | -172.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E108 R114 | E108-G112 VanDerWaalsContact O-CA 3.3Å; E108-G112 WeakPolarHBondContact O-CA 3.25Å; E108-G112 PolarHBondContact O-N 3.2Å; G112-R114 PolarHBondContact O-N 2.8Å |
| 113 | N | 56.3 | Low | 55.4 | Low | 160 Ų | 160 | 96.3 Ų | 96.3 | 86% | 0.856 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -70.9 | 47.9 | 172.9 | -68 | -24.2 | 0 | 0 | 0 | 111.8 | P115 | N113-P115 WeakPolarHBondContact O-CD 3.34Š|
| 114 | R | 51.9 | Low | 55.5 | Low | 186 Ų | 186 | 98.8 Ų | 98.8 | 70% | 0.702 | 50% | 0.495 | S | S | * | . | | | trans | -81.9 | 116.8 | 169.7 | -75.2 | -177 | 179.4 | -156.8 | -1.4 | 107.7 | F111 G112 D116 A117 | F111-R114 WeakPolarHBondContact O-CB 3.43Å; F111-R114 WeakPolarHBondContact O-CD 3.18Å; F111-R114 WeakPolarHBondContact O-CG 3.24Å; G112-R114 PolarHBondContact O-N 2.8Å; R114-D116 PolarHBondContact O-N 2.95Å; R114-D116 VanDerWaalsContact O-N 3.13Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 3.32Å; R114-A117 VanDerWaalsContact O-N 3.15Å |
| 115 | P | 55.4 | Low | 55.3 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.1 | -179.9 | 24.3 | -33 | 0 | 0 | 0 | 113 | N113 A117 | N113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-A117 VanDerWaalsContact C-N 3.32Å; P115-A117 PolarHBondContact O-N 3.47Å |
| 116 | D | 56.9 | Low | 55.1 | Low | 148 Ų | 148 | 103.1 Ų | 103.1 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.7 | 179.5 | -55.8 | -33.6 | 0 | 0 | 0 | 114.1 | R114 V118 | R114-D116 PolarHBondContact O-N 2.95Å; R114-D116 VanDerWaalsContact O-N 3.13Å; D116-V118 PolarHBondContact O-N 2.96Å |
| 117 | A | 48.8 | Very low | 54.6 | Low | 32 Ų | 32 | 106.3 Ų | 106.3 | 26% | 0.264 | 52% | 0.519 | S | S | . | . | | | trans | -73.1 | 95 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F111 R114 P115 P119 | F111-A117 HydrophobicContact CB-CB 3.41Å; F111-A117 VanDerWaalsContact CB-CB 3.41Å; F111-A117 HydrophobicContact CD1-CB 4.38Å; F111-A117 HydrophobicContact CD2-CB 4.12Å; F111-A117 HydrophobicContact CG-CB 3.73Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 3.32Å; R114-A117 VanDerWaalsContact O-N 3.15Å; P115-A117 VanDerWaalsContact C-N 3.32Å; P115-A117 PolarHBondContact O-N 3.47Å; A117-P119 WeakPolarHBondContact O-CD 3.46Å; A117-P119 VanDerWaalsContact O-N 3.09Å |
| 118 | V | 57.5 | Low | 54.8 | Low | 84 Ų | 84 | 109.4 Ų | 109.4 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | | | trans | -53.5 | 117.4 | 169.7 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | D116 I120 A122 M123 | D116-V118 PolarHBondContact O-N 2.96Å; V118-I120 PolarHBondContact O-N 3.1Å; V118-A122 HydrophobicContact CG1-CB 3.54Å; V118-M123 HydrophobicContact CG1-CG 4.37Å |
| 119 | P | 56.2 | Low | 54.6 | Low | 61 Ų | 61 | 111.9 Ų | 111.9 | 40% | 0.396 | 55% | 0.55 | S | S | . | * | | | trans | -58.4 | 140.6 | -179 | 22 | -31.4 | 0 | 0 | 0 | 109 | A117 T121 A122 M123 | A117-P119 WeakPolarHBondContact O-CD 3.46Å; A117-P119 VanDerWaalsContact O-N 3.09Å; P119-T121 PolarHBondContact O-N 3.35Å; P119-A122 HydrophobicContact CG-CB 4.18Å; P119-A122 WeakPolarHBondContact O-CB 3.38Å; P119-A122 PolarHBondContact O-N 3.18Å; P119-M123 PolarHBondContact O-N 3.32Å |
| 120 | I | 57 | Low | 54.3 | Low | 34 Ų | 34 | 107 Ų | 107 | 17% | 0.174 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -48.3 | -33.5 | 178.6 | -72.5 | 163.8 | 0 | 0 | 0 | 111.7 | R106 N107 V118 A122 M123 V124 | R106-I120 HydrophobicContact CG-CD1 4.03Å; N107-I120 VanDerWaalsContact OD1-CD1 3.24Å; N107-I120 WeakPolarHBondContact OD1-CD1 3.38Å; N107-I120 WeakPolarHBondContact OD1-CG1 3.34Å; N107-I120 PolarHBondContact OD1-N 2.96Å; V118-I120 PolarHBondContact O-N 3.1Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.04Å; I120-M123 HydrophobicContact CB-CE 4.35Å; I120-M123 HydrophobicContact CG1-CE 3.86Å; I120-M123 WeakPolarHBondContact O-CB 3.33Å; I120-M123 PolarHBondContact O-N 3.16Å; I120-M123 VanDerWaalsContact O-N 3.07Å; I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 PolarHBondContact O-N 3.27Å |
| 121 | T | 54.5 | Low | 54 | Low | 66 Ų | 66 | 106 Ų | 106 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -52 | -47.7 | 173.3 | -24.6 | 0 | 0 | 0 | 0 | 112.2 | P119 M123 V124 Y125 | P119-T121 PolarHBondContact O-N 3.35Å; T121-M123 VanDerWaalsContact C-N 3.34Å; T121-M123 PolarHBondContact O-N 2.86Å; T121-V124 PolarHBondContact O-N 3.41Å; T121-Y125 HydrophobicContact CG2-CD2 4.33Å; T121-Y125 HydrophobicContact CG2-CE2 3.92Å; T121-Y125 WeakPolarHBondContact O-CD2 3.3Å; T121-Y125 PolarHBondContact O-N 2.85Å; T121-Y125 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 56.7 | Low | 53.6 | Low | 41 Ų | 41 | 107 Ų | 107 | 34% | 0.339 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -29.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V118 P119 I120 R126 | V118-A122 HydrophobicContact CG1-CB 3.54Å; P119-A122 HydrophobicContact CG-CB 4.18Å; P119-A122 WeakPolarHBondContact O-CB 3.38Å; P119-A122 PolarHBondContact O-N 3.18Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.04Å; A122-R126 WeakPolarHBondContact O-CB 3.29Å; A122-R126 PolarHBondContact O-N 2.8Å |
| 123 | M | 54 | Low | 53.4 | Low | 97 Ų | 97 | 110 Ų | 110 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -37.8 | 171.7 | -69.5 | -163.3 | -63.6 | 0 | 0 | 112.5 | V118 P119 I120 T121 R126 R127 | V118-M123 HydrophobicContact CG1-CG 4.37Å; P119-M123 PolarHBondContact O-N 3.32Å; I120-M123 HydrophobicContact CB-CE 4.35Å; I120-M123 HydrophobicContact CG1-CE 3.86Å; I120-M123 WeakPolarHBondContact O-CB 3.33Å; I120-M123 PolarHBondContact O-N 3.16Å; I120-M123 VanDerWaalsContact O-N 3.07Å; T121-M123 VanDerWaalsContact C-N 3.34Å; T121-M123 PolarHBondContact O-N 2.86Å; M123-R126 PolarHBondContact O-N 3.5Å; M123-R127 PolarHBondContact O-N 3.27Å |
| 124 | V | 57.4 | Low | 52.5 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | I120 T121 R126 R127 V128 | I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 PolarHBondContact O-N 3.27Å; T121-V124 PolarHBondContact O-N 3.41Å; V124-R126 PolarHBondContact O-N 2.87Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-R127 VanDerWaalsContact O-N 3.17Å; V124-V128 PolarHBondContact O-N 3.28Å; V124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | Y | 54.5 | Low | 51.9 | Low | 165 Ų | 165 | 108.3 Ų | 108.3 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.2 | -42.9 | 174.4 | -78.7 | -69.8 | 0 | 0 | 0 | 112.7 | T121 R127 V128 Q129 | T121-Y125 HydrophobicContact CG2-CD2 4.33Å; T121-Y125 HydrophobicContact CG2-CE2 3.92Å; T121-Y125 WeakPolarHBondContact O-CD2 3.3Å; T121-Y125 PolarHBondContact O-N 2.85Å; T121-Y125 VanDerWaalsContact O-N 3.08Å; Y125-R127 VanDerWaalsContact C-N 3.28Å; Y125-R127 PolarHBondContact O-N 2.91Å; Y125-V128 PolarHBondContact O-N 3.06Å; Y125-Q129 PolarHBondContact O-N 3.43Å; Y125-Q129 VanDerWaalsContact O-N 3.1Å |
| 126 | R | 54.7 | Low | 51.1 | Low | 179 Ų | 179 | 109.3 Ų | 109.3 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.2 | -34.4 | 176.1 | -164.3 | 177.2 | -173.1 | -164.3 | 2.2 | 112.5 | A122 M123 V124 Q129 L130 | A122-R126 WeakPolarHBondContact O-CB 3.29Å; A122-R126 PolarHBondContact O-N 2.8Å; M123-R126 PolarHBondContact O-N 3.5Å; V124-R126 PolarHBondContact O-N 2.87Å; R126-Q129 PolarHBondContact O-N 3.1Å; R126-L130 PolarHBondContact O-N 3.18Å |
| 127 | R | 48 | Very low | 50.2 | Low | 176 Ų | 176 | 109.6 Ų | 109.6 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.3 | -38.6 | 177.7 | -165.2 | 174.7 | -168.7 | 174.1 | 2 | 112 | M123 V124 Y125 L130 F131 | M123-R127 PolarHBondContact O-N 3.27Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-R127 VanDerWaalsContact O-N 3.17Å; Y125-R127 VanDerWaalsContact C-N 3.28Å; Y125-R127 PolarHBondContact O-N 2.91Å; R127-L130 PolarHBondContact O-N 3.44Å; R127-F131 HydrophobicContact CG-CD2 4.22Å; R127-F131 HydrophobicContact CG-CE2 3.86Å; R127-F131 WeakPolarHBondContact O-CD2 3.39Å; R127-F131 PolarHBondContact O-N 2.98Å |
| 128 | V | 55.4 | Low | 49.5 | Very low | 90 Ų | 90 | 114 Ų | 114 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 175 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V124 Y125 L130 F131 S132 | V124-V128 PolarHBondContact O-N 3.28Å; V124-V128 VanDerWaalsContact O-N 3.08Å; Y125-V128 PolarHBondContact O-N 3.06Å; V128-L130 PolarHBondContact O-N 3.26Å; V128-F131 PolarHBondContact O-N 3.05Å; V128-S132 PolarHBondContact O-N 3.15Å |
| 129 | Q | 55 | Low | 48.4 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -39.1 | 176.3 | -75.7 | -179.9 | -16.2 | 0 | 0 | 113.5 | Y125 R126 F131 S132 T133 | Y125-Q129 PolarHBondContact O-N 3.43Å; Y125-Q129 VanDerWaalsContact O-N 3.1Å; R126-Q129 PolarHBondContact O-N 3.1Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; Q129-F131 PolarHBondContact O-N 2.98Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.47Å; Q129-T133 PolarHBondContact O-N 2.95Å |
| 130 | L | 53 | Low | 47.4 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 55% | 0.55 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69 | -28.4 | 179.4 | -76.7 | 166.4 | 0 | 0 | 0 | 113.6 | R126 R127 V128 S132 T133 | R126-L130 PolarHBondContact O-N 3.18Å; R127-L130 PolarHBondContact O-N 3.44Å; V128-L130 PolarHBondContact O-N 3.26Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-T133 PolarHBondContact O-N 3.39Å; L130-T133 PolarHBondContact O-OG1 2.89Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å |
| 131 | F | 45.8 | Very low | 46.4 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 61% | 0.605 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.7 | -23.2 | 172.9 | -77.4 | -67.5 | 0 | 0 | 0 | 112.6 | R127 V128 Q129 T133 | R127-F131 HydrophobicContact CG-CD2 4.22Å; R127-F131 HydrophobicContact CG-CE2 3.86Å; R127-F131 WeakPolarHBondContact O-CD2 3.39Å; R127-F131 PolarHBondContact O-N 2.98Å; V128-F131 PolarHBondContact O-N 3.05Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; Q129-F131 PolarHBondContact O-N 2.98Å; F131-T133 VanDerWaalsContact C-N 3.34Å |
| 132 | S | 46.2 | Very low | 45.6 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.8 | -25 | 170.9 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | V128 Q129 L130 | V128-S132 PolarHBondContact O-N 3.15Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.47Å; L130-S132 VanDerWaalsContact C-N 3.33Å |
| 133 | T | 46.7 | Very low | 44.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 4.5 | -177.6 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | Q129 L130 F131 | Q129-T133 PolarHBondContact O-N 2.95Å; L130-T133 PolarHBondContact O-N 3.39Å; L130-T133 PolarHBondContact O-OG1 2.89Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å; F131-T133 VanDerWaalsContact C-N 3.34Å |
| 134 | Q | 37.4 | Very low | 43.2 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 13.8 | 175.2 | -76.2 | -144.5 | -38.3 | 0 | 0 | 114.6 | | |
| 135 | N | 39.2 | Very low | 42.3 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114.7 | 30 | 175.5 | -95.9 | -19.4 | 0 | 0 | 0 | 113.3 | | |
| 136 | E | 39.3 | Very low | 41.3 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | -141.3 | 79.9 | 164.3 | -68.3 | -156.3 | -172.6 | 0 | 0 | 108.8 | | |
| 137 | D | 37.2 | Very low | 40.5 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | S | Bend | | -172.7 | 140.2 | 123.8 | -99.6 | -29.1 | 0 | 0 | 0 | 113.9 | | |
| 138 | S | 34.5 | Very low | 39.9 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 75.8 | 93.3 | 166.4 | 72.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 139 | G | 34.7 | Very low | 39 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | 174 | 56.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A141 | G139-A141 VanDerWaalsContact C-N 3.35Å; G139-A141 PolarHBondContact O-N 2.97Å |
| 140 | T | 34.3 | Very low | 38.2 | Very low | 152 Ų | 152 | 127 Ų | 127 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | | | trans | -50 | 93.6 | 170 | -46 | 0 | 0 | 0 | 0 | 110.6 | | |
| 141 | A | 36.6 | Very low | 37.3 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | -107 | 132.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G139 G143 | G139-A141 VanDerWaalsContact C-N 3.35Å; G139-A141 PolarHBondContact O-N 2.97Å; A141-G143 PolarHBondContact O-N 2.81Å |
| 142 | P | 37.6 | Very low | 36.6 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 128.6 | -162.7 | 31.5 | -33.1 | 0 | 0 | 0 | 110.5 | | |
| 143 | G | 29.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124 | 0.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A141 | A141-G143 PolarHBondContact O-N 2.81Š|
| 144 | G | 30.8 | Very low | 35.3 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | -83.2 | 116.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R146 | G144-R146 PolarHBondContact O-N 3.14Š|
| 145 | V | 37.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -25.5 | 120.7 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 114.7 | I147 | V145-I147 HydrophobicContact CG1-CG1 4.23Å; V145-I147 PolarHBondContact O-N 3.1Å; V145-I147 VanDerWaalsContact O-N 3.13Å |
| 146 | R | 33.5 | Very low | 34.8 | Very low | 248 Ų | 248 | 130.6 Ų | 130.6 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | | | trans | -69.7 | 100 | 171 | -65.6 | -174.4 | 176 | -153.1 | -0.8 | 109.8 | G144 | G144-R146 PolarHBondContact O-N 3.14Š|
| 147 | I | 37.6 | Very low | 34.7 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -90.7 | 109.9 | 161.2 | -56.1 | -179.2 | 0 | 0 | 0 | 106.6 | V145 K149 | V145-I147 HydrophobicContact CG1-CG1 4.23Å; V145-I147 PolarHBondContact O-N 3.1Å; V145-I147 VanDerWaalsContact O-N 3.13Å; I147-K149 PolarHBondContact O-N 3.42Å |
| 148 | A | 35.6 | Very low | 34.8 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P150 | A148-P150 WeakPolarHBondContact O-CD 3.38Š|
| 149 | K | 37.1 | Very low | 35 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.6 | 175.5 | -63.5 | 173.2 | 176.1 | -174.3 | 0 | 110 | I147 | I147-K149 PolarHBondContact O-N 3.42Š|
| 150 | P | 38.6 | Very low | 35.2 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.9 | 155.3 | 30.2 | -29.5 | 0 | 0 | 0 | 108 | A148 A152 | A148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-A152 PolarHBondContact O-N 2.78Å |
| 151 | F | 32.7 | Very low | 35.3 | Very low | 213 Ų | 213 | 126.7 Ų | 126.7 | 93% | 0.934 | 74% | 0.74 | S | S | * | * | | | trans | -36.8 | 130.7 | -179.6 | -101.7 | -110.7 | 0 | 0 | 0 | 114 | | |
| 152 | A | 32.4 | Very low | 35.6 | Very low | 65 Ų | 65 | 132 Ų | 132 | 54% | 0.537 | 75% | 0.751 | S | S | . | * | | | trans | -77.9 | 151.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P150 | P150-A152 PolarHBondContact O-N 2.78Š|
| 153 | H | 31.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 135 Ų | 135 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | | | trans | 77.4 | 92.9 | 154.5 | -49.1 | -63.8 | 0 | 0 | 0 | 119.7 | | |
| 154 | S | 33.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | | | | -148.5 | 81.7 | 129.2 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 155 | S | 34.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | -69.3 | 125.5 | 164.7 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 156 | L | 31.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | 89.3 | 143.9 | 156.8 | -54.3 | 171.1 | 0 | 0 | 0 | 117.4 | | |
| 157 | P | 37.3 | Very low | 36.8 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | | | cis | -125.2 | 132.2 | 20.2 | 35.2 | -17.5 | 0 | 0 | 0 | 115 | Q159 | P157-Q159 PolarHBondContact O-N 3.2Š|
| 158 | I | 38.4 | Very low | 37.1 | Very low | 126 Ų | 126 | 127 Ų | 127 | 65% | 0.646 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 24.3 | 169.2 | -61.9 | 169.3 | 0 | 0 | 0 | 111.3 | S160 L161 | I158-S160 VanDerWaalsContact C-N 3.35Å; I158-L161 HydrophobicContact CG1-CD1 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.24Å; I158-L161 HydrophobicContact CG2-CD1 4.32Å |
| 159 | Q | 40.1 | Very low | 37.4 | Very low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -7.8 | 167.2 | -80.3 | -171.2 | -3.4 | 0 | 0 | 113.2 | P157 | P157-Q159 PolarHBondContact O-N 3.2Š|
| 160 | S | 37.6 | Very low | 37.6 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -93.3 | -16.5 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | I158 K163 | I158-S160 VanDerWaalsContact C-N 3.35Å; S160-K163 PolarHBondContact O-N 3.04Å |
| 161 | L | 37.2 | Very low | 37.9 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 45% | 0.445 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -79.5 | -20 | -174 | -95.5 | 152 | 0 | 0 | 0 | 114.5 | I158 K163 A164 I166 | I158-L161 HydrophobicContact CG1-CD1 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.24Å; I158-L161 HydrophobicContact CG2-CD1 4.32Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.75Å; L161-A164 PolarHBondContact O-N 3.13Å; L161-I166 HydrophobicContact CD2-CD1 3.88Å; L161-I166 HydrophobicContact CD2-CG1 4.48Å |
| 162 | Q | 42.4 | Very low | 38.1 | Very low | 190 Ų | 190 | 124.2 Ų | 124.2 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -74.9 | -16.4 | 170.2 | -75 | -173.8 | -22.1 | 0 | 0 | 113 | A164 | Q162-A164 VanDerWaalsContact C-N 3.28Š|
| 163 | K | 44.6 | Very low | 38.2 | Very low | 201 Ų | 201 | 129.8 Ų | 129.8 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -82.4 | -8.1 | 172.8 | -138.8 | 175.3 | -174 | -178.4 | 0 | 113 | S160 L161 | S160-K163 PolarHBondContact O-N 3.04Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.75Å |
| 164 | A | 44.4 | Very low | 38.6 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 47% | 0.471 | 73% | 0.729 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.7 | 3.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | L161 Q162 I166 | L161-A164 PolarHBondContact O-N 3.13Å; Q162-A164 VanDerWaalsContact C-N 3.28Å; A164-I166 HydrophobicContact CB-CD1 4.12Å; A164-I166 HydrophobicContact CB-CG1 3.97Å; A164-I166 WeakPolarHBondContact O-CG1 3.43Å; A164-I166 PolarHBondContact O-N 3.12Å |
| 165 | G | 32.6 | Very low | 38.7 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.6 | 28 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S167 | G165-S167 PolarHBondContact O-N 2.99Š|
| 166 | I | 37.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | | | trans | -86.6 | 103.6 | -176 | -44.3 | -178 | 0 | 0 | 0 | 108.8 | L161 A164 | L161-I166 HydrophobicContact CD2-CD1 3.88Å; L161-I166 HydrophobicContact CD2-CG1 4.48Å; A164-I166 HydrophobicContact CB-CD1 4.12Å; A164-I166 HydrophobicContact CB-CG1 3.97Å; A164-I166 WeakPolarHBondContact O-CG1 3.43Å; A164-I166 PolarHBondContact O-N 3.12Å |
| 167 | S | 35.8 | Very low | 38.9 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | trans | -57.8 | 134.1 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111.9 | G165 A169 | G165-S167 PolarHBondContact O-N 2.99Å; S167-A169 PolarHBondContact O-N 3.05Å; S167-A169 VanDerWaalsContact O-N 3.16Å; S167-A169 PolarHBondContact OG-N 3.47Å |
| 168 | L | 44.3 | Very low | 39 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -75 | 9.4 | 178.5 | -117.4 | 93.7 | 0 | 0 | 0 | 114.2 | S170 | L168-S170 PolarHBondContact O-N 3.22Š|
| 169 | A | 40.9 | Very low | 39 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 26 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S167 | S167-A169 PolarHBondContact O-N 3.05Å; S167-A169 VanDerWaalsContact O-N 3.16Å; S167-A169 PolarHBondContact OG-N 3.47Å |
| 170 | S | 42.5 | Very low | 38.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 16.9 | -176.6 | -77.6 | 0 | 0 | 0 | 0 | 116.4 | L168 | L168-S170 PolarHBondContact O-N 3.22Š|
| 171 | I | 44.7 | Very low | 38.8 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -122.2 | 76.7 | 171.5 | -47.1 | 176.9 | 0 | 0 | 0 | 109.3 | | |
| 172 | H | 36.6 | Very low | 38.9 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | | | trans | -162.7 | 70.2 | 152.1 | -118.1 | -115.5 | 0 | 0 | 0 | 107.9 | | |
| 173 | Q | 35 | Very low | 38.6 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -78.8 | 135.2 | 155.9 | -74.2 | -156 | -10 | 0 | 0 | 108.5 | I175 | Q173-I175 PolarHBondContact O-N 2.97Š|
| 174 | P | 38.4 | Very low | 38.2 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -71.7 | 126 | -172.6 | 27.1 | -32.9 | 0 | 0 | 0 | 112.1 | G176 | P174-G176 PolarHBondContact O-N 2.83Š|
| 175 | I | 36.8 | Very low | 37.7 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 108.3 | 170.7 | -62.3 | 165.6 | 0 | 0 | 0 | 107.7 | Q173 | Q173-I175 PolarHBondContact O-N 2.97Š|
| 176 | G | 33.3 | Very low | 38 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 171.5 | 49.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117 | P174 | P174-G176 PolarHBondContact O-N 2.83Š|
| 177 | S | 35.8 | Very low | 38.3 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | | | trans | -154.4 | 88.3 | 156.7 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | Q179 | S177-Q179 PolarHBondContact O-N 3.17Š|
| 178 | V | 41 | Very low | 38.4 | Very low | 144 Ų | 144 | 146 Ų | 146 | 87% | 0.873 | 85% | 0.847 | S | S | * | * | | | trans | -90.1 | 93.1 | 164.2 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | R180 | V178-R180 PolarHBondContact O-N 3.4Š|
| 179 | Q | 36.7 | Very low | 38.1 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | | | trans | -67.7 | 113.4 | 163.9 | -82.9 | 172.9 | -27.9 | 0 | 0 | 108.3 | S177 A181 | S177-Q179 PolarHBondContact O-N 3.17Å; Q179-A181 PolarHBondContact O-N 3.19Å |
| 180 | R | 35.1 | Very low | 37.9 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 93% | 0.932 | 86% | 0.855 | S | S | * | * | | | trans | -74.4 | 105 | 163.6 | -102.7 | -178 | 175.6 | -167.2 | -1.5 | 107.6 | V178 | V178-R180 PolarHBondContact O-N 3.4Š|
| 181 | A | 38.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | | | trans | -97.3 | 129.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108 | Q179 | Q179-A181 PolarHBondContact O-N 3.19Š|
| 182 | G | 39.6 | Very low | 37.2 | Very low | 76 Ų | 76 | 150.9 Ų | 150.9 | 78% | 0.784 | 87% | 0.867 | S | S | * | * | | | trans | 158.4 | 66.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 183 | D | 35.7 | Very low | 37.3 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 95% | 0.947 | 87% | 0.866 | S | S | * | * | | | trans | -59.6 | 135.9 | 154.5 | -73.1 | -47 | 0 | 0 | 0 | 109.4 | | |
| 184 | G | 36.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 78% | 0.784 | 87% | 0.867 | S | S | * | * | | | trans | -164.5 | 69.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 185 | A | 34 | Very low | 37.4 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 69% | 0.686 | 87% | 0.871 | S | S | * | * | | | trans | -57.6 | 146.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 186 | Y | 39.3 | Very low | 37.4 | Very low | 223 Ų | 223 | 144.6 Ų | 144.6 | 88% | 0.875 | 87% | 0.866 | S | S | * | * | | | | -175.7 | 122.7 | 124.6 | -89.8 | -66.2 | 0 | 0 | 0 | 109.9 | | |
| 187 | N | 42.8 | Very low | 37.8 | Very low | 236 Ų | 236 | 151.2 Ų | 151.2 | 100% | 1.262 | 88% | 0.877 | S | S | * | * | | | trans | 79 | 0 | 173.5 | -61.4 | -34.8 | 0 | 0 | 0 | 118.4 | | |