| 1 | M | 46.1 | Very low | 44.8 | Very low | 235 Ų | 235 | 137 Ų | 137 | 100% | 1.158 | 84% | 0.84 | S | S | * | * | | | | 0 | 171.8 | 0 | -67.2 | -164.3 | -71.3 | 0 | 0 | 108.9 | | |
| 2 | S | 42.2 | Very low | 44.4 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | | | trans | 68.3 | 97.4 | -174.3 | -55.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 3 | I | 48.3 | Very low | 44.2 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | trans | -111.5 | 132.2 | 155.1 | -61.1 | 171.5 | 0 | 0 | 0 | 105.4 | | |
| 4 | A | 51.1 | Low | 44.2 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -133.2 | 99.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 5 | G | 40.3 | Very low | 44 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | | | trans | -82.8 | 136.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A7 | G5-A7 PolarHBondContact O-N 3.35Š|
| 6 | V | 44.5 | Very low | 44.1 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 93% | 0.933 | 83% | 0.831 | S | S | * | * | | | trans | -86.8 | 108.7 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 7 | A | 47.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | | | trans | -90.9 | 146.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G5 | G5-A7 PolarHBondContact O-N 3.35Š|
| 8 | A | 43.2 | Very low | 43.3 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | | | trans | -81.1 | 143.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E10 | A8-E10 PolarHBondContact O-N 3.43Š|
| 9 | Q | 44.2 | Very low | 43.2 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | | | trans | -84.5 | 99.6 | 177.3 | -172.3 | 72.7 | 65.2 | 0 | 0 | 110.6 | I11 | Q9-I11 HydrophobicContact CG-CG1 4.37Š|
| 10 | E | 38.4 | Very low | 43.1 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 61% | 0.612 | 82% | 0.824 | S | S | * | * | | | trans | -74 | 127.7 | 168.9 | -166.8 | -171.5 | -121.3 | 0 | 0 | 109.8 | A8 R12 | A8-E10 PolarHBondContact O-N 3.43Å; E10-R12 IonicContact OE1-NH2 3.77Å; E10-R12 PolarHBondContact OE1-NH2 3.25Å; E10-R12 IonicContact OE2-CZ 3.3Å; E10-R12 IonicContact OE2-NE 2.69Å; E10-R12 PolarHBondContact OE2-NE 3.35Å; E10-R12 IonicContact OE2-NH2 3.77Å; E10-R12 PolarHBondContact OE2-NH2 2.97Å |
| 11 | I | 47 | Very low | 42.9 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | | | trans | -108 | 107.1 | 178.2 | -58.8 | 179.6 | 0 | 0 | 0 | 109.2 | Q9 V13 | Q9-I11 HydrophobicContact CG-CG1 4.37Å; I11-V13 HydrophobicContact CG2-CG2 4.14Å |
| 12 | R | 40.1 | Very low | 42.4 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 75% | 0.751 | 80% | 0.804 | S | S | * | * | | | trans | -99.7 | 127.9 | 169.5 | -57.3 | -176.6 | -169.7 | -157.5 | -3.9 | 109.3 | E10 | E10-R12 IonicContact OE1-NH2 3.77Å; E10-R12 PolarHBondContact OE1-NH2 3.25Å; E10-R12 IonicContact OE2-CZ 3.3Å; E10-R12 IonicContact OE2-NE 2.69Å; E10-R12 PolarHBondContact OE2-NE 3.35Å; E10-R12 IonicContact OE2-NH2 3.77Å; E10-R12 PolarHBondContact OE2-NH2 2.97Å |
| 13 | V | 42.2 | Very low | 42 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -115.9 | 121.9 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 109 | I11 | I11-V13 HydrophobicContact CG2-CG2 4.14Š|
| 14 | P | 43.8 | Very low | 41.2 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -84.5 | 132.9 | 177.7 | 20.9 | -12.4 | 0 | 0 | 0 | 111.8 | | |
| 15 | L | 41.9 | Very low | 40.4 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -74.3 | 134.3 | 167.7 | -65 | 173.9 | 0 | 0 | 0 | 109.8 | | |
| 16 | K | 44.7 | Very low | 40.2 | Very low | 205 Ų | 205 | 146 Ų | 146 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -118.3 | 106.2 | 178.7 | -167.1 | 175.1 | -175.7 | 179.2 | 0 | 111.4 | | |
| 17 | T | 37.8 | Very low | 39.6 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | -63.5 | 140.6 | 174.8 | -51 | 0 | 0 | 0 | 0 | 111.5 | F19 | T17-F19 HydrophobicContact CG2-CD2 3.83Å; T17-F19 HydrophobicContact CG2-CE2 3.91Å |
| 18 | G | 36.8 | Very low | 39 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -134.6 | 103.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 19 | F | 40.8 | Very low | 38.7 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | | | trans | -86.7 | 137.8 | 168.3 | -85.3 | -94.9 | 0 | 0 | 0 | 110.1 | T17 | T17-F19 HydrophobicContact CG2-CD2 3.83Å; T17-F19 HydrophobicContact CG2-CE2 3.91Å |
| 20 | L | 42.4 | Very low | 38.1 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | | | trans | -137.6 | 143.5 | 158.8 | -74.3 | 177.9 | 0 | 0 | 0 | 109.2 | | |
| 21 | H | 38.7 | Very low | 38 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | | | trans | -118.4 | 163.8 | -174.9 | -91.6 | -97.1 | 0 | 0 | 0 | 112 | | |
| 22 | N | 34.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | 81.1 | 130.1 | 164.2 | -49.9 | -37.8 | 0 | 0 | 0 | 117.3 | | |
| 23 | G | 34.3 | Very low | 37 | Very low | 77 Ų | 77 | 148.4 Ų | 148.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | 166.4 | 39.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 24 | R | 32 | Very low | 36.8 | Very low | 242 Ų | 242 | 154.2 Ų | 154.2 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | 63 | 91.7 | 146.2 | -159.7 | 179.2 | -149.6 | -110.1 | 4.1 | 121.3 | | |
| 25 | A | 33.3 | Very low | 36.1 | Very low | 89 Ų | 89 | 154.5 Ų | 154.5 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | | | | 60.1 | 163 | 129.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 26 | M | 36.9 | Very low | 35.6 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | | | trans | 74.1 | 130 | -174.6 | -51.4 | -68.2 | -80.9 | 0 | 0 | 114.8 | | |
| 27 | G | 31.1 | Very low | 35.1 | Very low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | cis | -174.4 | 140.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 28 | N | 34.7 | Very low | 35 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | 11.7 | 101.4 | 164.6 | -59.7 | -15.9 | 0 | 0 | 0 | 120.4 | | |
| 29 | M | 37.2 | Very low | 35.1 | Very low | 153 Ų | 153 | 156.1 Ų | 156.1 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | | | trans | -164.4 | 103.9 | 130.8 | -113.4 | -59 | 160.4 | 0 | 0 | 113 | | |
| 30 | R | 31.1 | Very low | 35.1 | Very low | 248 Ų | 248 | 158.6 Ų | 158.6 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | | | trans | -144 | 106.1 | 161.8 | -77.9 | -168.3 | 175.5 | -178.3 | -1.4 | 109.7 | | |
| 31 | K | 36.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 159 Ų | 159 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | -113.7 | 105.3 | 164.9 | -79.2 | -173.1 | 175.5 | -175.6 | 0 | 107 | | |
| 32 | T | 35.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 158 Ų | 158 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | | 66.8 | 59.9 | 88.5 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 33 | C | 31.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 157.4 Ų | 157.4 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | | | trans | -160.3 | 142.5 | 148.5 | -145.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 34 | W | 37.1 | Very low | 34.6 | Very low | 243 Ų | 243 | 160.9 Ų | 160.9 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | | | cis | -117.1 | 138.2 | 9.5 | -70.2 | 32 | 0 | 0 | 0 | 111.5 | | |
| 35 | S | 29.6 | Very low | 35.1 | Very low | 123 Ų | 123 | 156.7 Ų | 156.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -155.6 | 101.5 | 155.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 36 | S | 32.3 | Very low | 35.3 | Very low | 130 Ų | 130 | 158.8 Ų | 158.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -129.6 | 146.6 | 173.1 | -80.7 | 0 | 0 | 0 | 0 | 109 | | |
| 37 | R | 33 | Very low | 35.8 | Very low | 221 Ų | 221 | 156.5 Ų | 156.5 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -99.2 | 154.1 | -156.9 | -173.2 | 171.6 | 177.7 | -119.7 | 8.4 | 112.3 | E39 | R37-E39 PolarHBondContact O-N 3.49Š|
| 38 | S | 36.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -30.8 | 129.2 | 161 | 152.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 39 | E | 38.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -169.2 | 102.7 | 132.5 | -106.3 | 160.3 | -124.2 | 0 | 0 | 110.2 | R37 | R37-E39 PolarHBondContact O-N 3.49Š|
| 40 | F | 40.4 | Very low | 37.4 | Very low | 219 Ų | 219 | 155.6 Ų | 155.6 | 96% | 0.961 | 78% | 0.782 | S | S | * | * | | | trans | -136.1 | 147.1 | 158.9 | -108 | -83.2 | 0 | 0 | 0 | 110.3 | | |
| 41 | K | 32.8 | Very low | 38 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -94.4 | 137.4 | -150.6 | -164.5 | 173.7 | -178.1 | 178.8 | 0 | 112.3 | N43 | K41-N43 PolarHBondContact O-N 3.5Å; K41-N43 VanDerWaalsContact O-N 3.13Å |
| 42 | N | 36 | Very low | 38.6 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -61.1 | 111.9 | 175.5 | -66.6 | -38.4 | 0 | 0 | 0 | 111.4 | F44 | N42-F44 HydrophobicContact CB-CD2 3.86Å; N42-F44 HydrophobicContact CB-CE2 3.73Å |
| 43 | N | 35.3 | Very low | 39.2 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -106.9 | 82.7 | 163.4 | -76.2 | -16.1 | 0 | 0 | 0 | 108.3 | K41 L45 | K41-N43 PolarHBondContact O-N 3.5Å; K41-N43 VanDerWaalsContact O-N 3.13Å; N43-L45 PolarHBondContact O-N 3.07Å |
| 44 | F | 35 | Very low | 39.6 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 116.5 | 173.1 | -76.2 | -86.5 | 0 | 0 | 0 | 110.2 | N42 | N42-F44 HydrophobicContact CB-CD2 3.86Å; N42-F44 HydrophobicContact CB-CE2 3.73Å |
| 45 | L | 43.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -100.5 | 80.3 | 153.4 | -70.5 | 179.2 | 0 | 0 | 0 | 108 | N43 I47 | N43-L45 PolarHBondContact O-N 3.07Å; L45-I47 PolarHBondContact O-N 3.34Å |
| 46 | N | 37.9 | Very low | 40.5 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 110.2 | 163.8 | -73.3 | -25.1 | 0 | 0 | 0 | 107.4 | | |
| 47 | I | 47.2 | Very low | 40.7 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -105.1 | 105.6 | 172.2 | -63.5 | 171.1 | 0 | 0 | 0 | 105.8 | L45 | L45-I47 PolarHBondContact O-N 3.34Š|
| 48 | D | 40.5 | Very low | 40.7 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | trans | -65.1 | 134.3 | -176.4 | -80.6 | -45.9 | 0 | 0 | 0 | 111.4 | I50 T51 | D48-I50 PolarHBondContact O-N 2.76Å; D48-T51 PolarHBondContact O-N 2.76Å |
| 49 | P | 47.1 | Very low | 40.8 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 2.4 | -173.4 | 29.7 | -36.6 | 0 | 0 | 0 | 114.3 | | |
| 50 | I | 48.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -25.1 | -175 | -58.1 | 177.8 | 0 | 0 | 0 | 111.5 | D48 M52 | D48-I50 PolarHBondContact O-N 2.76Å; I50-M52 VanDerWaalsContact C-N 3.26Å; I50-M52 PolarHBondContact O-N 2.96Å |
| 51 | T | 44.5 | Very low | 40.3 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -73.7 | -12.5 | -174.7 | -43 | 0 | 0 | 0 | 0 | 113.9 | D48 A53 | D48-T51 PolarHBondContact O-N 2.76Å; T51-A53 VanDerWaalsContact C-N 3.27Å; T51-A53 PolarHBondContact O-N 3.39Å |
| 52 | M | 49.2 | Very low | 40.2 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -83 | 9.2 | 179.6 | -80.7 | -63.4 | -58.9 | 0 | 0 | 114.6 | I50 | I50-M52 VanDerWaalsContact C-N 3.26Å; I50-M52 PolarHBondContact O-N 2.96Å |
| 53 | A | 46.3 | Very low | 39.8 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -114.8 | 17.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T51 | T51-A53 VanDerWaalsContact C-N 3.27Å; T51-A53 PolarHBondContact O-N 3.39Å |
| 54 | Y | 41.7 | Very low | 39.5 | Very low | 231 Ų | 231 | 144.1 Ų | 144.1 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -154.3 | 67.9 | 179 | -120.7 | -75.6 | 0 | 0 | 0 | 115.2 | | |
| 55 | S | 42.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -158.1 | 37.3 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 116 | | |
| 56 | L | 41 | Very low | 39 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -124.2 | 138.9 | 162.3 | -70.6 | 175.4 | 0 | 0 | 0 | 110 | | |
| 57 | N | 38.5 | Very low | 38.8 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | 72.4 | 86.7 | 178.5 | -49.5 | -35.6 | 0 | 0 | 0 | 117.4 | | |
| 58 | S | 32.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -149.5 | 105.3 | 135.4 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 59 | S | 37.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -94.6 | 86.6 | 168.5 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 60 | A | 33.3 | Very low | 36.6 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -141.9 | 150.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | Q | 36.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -122.1 | 112.9 | -163.4 | 172.4 | -166.9 | 13.8 | 0 | 0 | 110.5 | | |
| 62 | E | 29.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | 177 | 151.8 | 159.8 | -102.6 | -167.3 | 134.1 | 0 | 0 | 109 | | |
| 63 | R | 27.6 | Very low | 34.3 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | cis | -163.6 | 162.8 | -20.1 | -141.8 | -179.2 | -165.4 | 149.2 | -7 | 109.3 | | |
| 64 | L | 29.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | 74.4 | 139.7 | 162.4 | -57.1 | 171.8 | 0 | 0 | 0 | 119.4 | | |
| 65 | I | 30.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | | | trans | -109.1 | 162.5 | 171 | -20.3 | 175.4 | 0 | 0 | 0 | 107.1 | | |
| 66 | P | 37.3 | Very low | 33.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | | -153.3 | 144.8 | 87.1 | 37.3 | -18.6 | 0 | 0 | 0 | 116.5 | | |
| 67 | L | 33.8 | Very low | 32.7 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -150.7 | 107 | 151.9 | -169.1 | 60.5 | 0 | 0 | 0 | 113.2 | | |
| 68 | G | 27.6 | Very low | 32.3 | Very low | 50 Ų | 50 | 137 Ų | 137 | 52% | 0.515 | 79% | 0.791 | S | S | . | * | | | trans | 58.7 | 113 | 141.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 69 | H | 30.3 | Very low | 32.4 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | | | | 37.3 | 121.1 | 121.3 | -51.6 | -62 | 0 | 0 | 0 | 118.4 | | |
| 70 | T | 29.6 | Very low | 32.1 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | cis | -149.7 | -160.7 | 21.7 | 61 | 0 | 0 | 0 | 0 | 109.6 | | |
| 71 | S | 30.9 | Very low | 32.2 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | cis | -158.7 | 156.2 | 8.4 | 136.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 72 | K | 32.7 | Very low | 32.1 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | 29 | 110.7 | 155.5 | -62.7 | -177.8 | 176.5 | -178.9 | 0 | 119.5 | | |
| 73 | S | 31.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -87.4 | 166.8 | 153.7 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 74 | A | 31.1 | Very low | 32.5 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | -137.5 | 125.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 75 | P | 45.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -108.6 | 154.8 | -170.1 | 38.9 | -33.9 | 0 | 0 | 0 | 114.9 | | |
| 76 | M | 32.2 | Very low | 33.3 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | trans | -154.2 | 104.7 | 156.7 | -162.7 | 67.3 | 75.6 | 0 | 0 | 105.5 | | |
| 77 | N | 29 | Very low | 33.3 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | | 53.5 | 118.5 | 93.9 | -156.4 | 36.1 | 0 | 0 | 0 | 112.8 | | |
| 78 | G | 30.1 | Very low | 33.3 | Very low | 55 Ų | 55 | 130.5 Ų | 130.5 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | cis | 136.2 | 125.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 79 | H | 34.8 | Very low | 33.7 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | | | trans | -159.8 | 147.3 | 163 | -121.5 | -84.6 | 0 | 0 | 0 | 110.8 | | |
| 80 | C | 31.5 | Very low | 33.9 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | trans | -126 | -175.6 | -177 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 81 | F | 35.8 | Very low | 34.2 | Very low | 203 Ų | 203 | 133 Ų | 133 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | 75.1 | 136.9 | 173.9 | -39.7 | -68 | 0 | 0 | 0 | 114.3 | | |
| 82 | A | 33.6 | Very low | 34.6 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -147.8 | 180 | -15.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 83 | E | 31.6 | Very low | 35.8 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | cis | -167.4 | 155.7 | 31.9 | -173 | 167.1 | 171.6 | 0 | 0 | 110.4 | | |
| 84 | N | 33.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 9.1 | 129.8 | 160.8 | -46.9 | -31.4 | 0 | 0 | 0 | 119 | | |
| 85 | G | 33.3 | Very low | 37 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | cis | 100.5 | 155.6 | 23.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 86 | P | 45.3 | Very low | 36.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | cis | -144.9 | 151.9 | -22.1 | 39.7 | -21 | 0 | 0 | 0 | 117.2 | | |
| 87 | S | 36.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | 66.7 | 173.2 | 144.5 | 78.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 88 | Q | 32.9 | Very low | 37.3 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | cis | -131.8 | -167.4 | 3.5 | -77.3 | -161 | 15.7 | 0 | 0 | 113 | | |
| 89 | K | 36.5 | Very low | 38 | Very low | 195 Ų | 195 | 138.4 Ų | 138.4 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -116.6 | -173.2 | -173.7 | -58 | 178.8 | 176.8 | 179.7 | 0 | 113.2 | | |
| 90 | S | 35.5 | Very low | 37.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | 83.5 | 157.2 | 160.8 | 83.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 91 | S | 35.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -164.5 | 165 | -22 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 92 | L | 40 | Very low | 37.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -90.9 | 177 | 167.8 | -56.1 | 177.1 | 0 | 0 | 0 | 110.9 | | |
| 93 | P | 56.9 | Low | 37.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | cis | -127.2 | -142.8 | 7.1 | 39.8 | -16.4 | 0 | 0 | 0 | 111.7 | | |
| 94 | P | 50.3 | Low | 37.2 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | cis | -134.5 | -98.9 | -3.8 | 37.6 | -12.3 | 0 | 0 | 0 | 118.7 | | |
| 95 | L | 38.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -153 | 154.5 | -153.5 | -68.4 | 168.7 | 0 | 0 | 0 | 114.9 | | |
| 96 | L | 30.6 | Very low | 37.4 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | | 166.4 | 160 | 129.4 | -89.7 | 169.3 | 0 | 0 | 0 | 114.4 | | |
| 97 | I | 35.1 | Very low | 36.9 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -148.2 | 127.5 | -168.2 | -56.4 | 163.3 | 0 | 0 | 0 | 113.3 | | |
| 98 | P | 47 | Very low | 36.8 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -152.3 | -166.8 | 135 | 43 | -26.9 | 0 | 0 | 0 | 112.8 | | |
| 99 | P | 43.9 | Very low | 36.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | cis | -128.4 | 168.1 | -19.1 | 40.6 | -25.1 | 0 | 0 | 0 | 116.4 | | |
| 100 | S | 29.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | 40 | 169 | 150.1 | 78.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 101 | E | 31.6 | Very low | 36.7 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | cis | -150.5 | -171.3 | 12 | -146.4 | 140.6 | -79.1 | 0 | 0 | 113.9 | | |
| 102 | N | 29.8 | Very low | 36.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | trans | -95.1 | 163.6 | -164.1 | -77.9 | -86 | 0 | 0 | 0 | 116.9 | | |
| 103 | L | 32.1 | Very low | 36.1 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | 132.7 | 143.4 | 140.8 | -73.6 | 160.4 | 0 | 0 | 0 | 116.6 | | |
| 104 | G | 27.4 | Very low | 34.9 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -105.8 | -151.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 105 | P | 41.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | cis | -142.6 | -168.3 | 8.6 | 41.5 | -20.4 | 0 | 0 | 0 | 116.1 | | |
| 106 | H | 28.6 | Very low | 34.5 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | | | trans | 73.1 | 117 | 145.4 | -127.4 | -102.3 | 0 | 0 | 0 | 123.8 | | |
| 107 | E | 35 | Very low | 35.1 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 37.8 | 123.9 | 132 | -160.3 | 173.4 | -116.1 | 0 | 0 | 124.3 | | |
| 108 | E | 34.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -171.1 | 107.3 | 139.2 | -104.3 | 173.4 | -169.5 | 0 | 0 | 106.4 | | |
| 109 | D | 36.1 | Very low | 34.6 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | | 79.6 | 153.8 | 85.9 | -164.7 | 36.4 | 0 | 0 | 0 | 116.6 | | |
| 110 | Q | 33.8 | Very low | 34.4 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | 99.5 | 118.9 | 161.5 | -61 | -155.3 | 9 | 0 | 0 | 123.3 | | |
| 111 | V | 33.6 | Very low | 34.8 | Very low | 116 Ų | 116 | 145 Ų | 145 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | | 85.3 | 86.6 | 128.3 | 176.1 | 0 | 0 | 0 | 0 | 121 | | |
| 112 | V | 31.7 | Very low | 35 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | | 55.9 | 124.7 | 107.8 | 174.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 113 | C | 30.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | | | trans | 65.3 | 154.8 | 156.9 | -76.3 | 0 | 0 | 0 | 0 | 120 | | |
| 114 | G | 32.6 | Very low | 35.2 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | cis | 171.9 | 163.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 115 | F | 40.4 | Very low | 35.4 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | | | trans | -53.5 | 157 | 169.5 | -30.7 | -84.2 | 0 | 0 | 0 | 110.7 | | |
| 116 | K | 39.6 | Very low | 35.1 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | | -167.8 | -172.9 | 66.8 | -26.6 | -175.4 | -178 | 172.2 | 0 | 107.5 | | |
| 117 | K | 42.4 | Very low | 35.4 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 67% | 0.665 | 78% | 0.784 | S | S | * | * | | | cis | -168.6 | 143.3 | -0.1 | 158 | -166.8 | 169.1 | -167.2 | 0 | 107.7 | T119 | K117-T119 HydrophobicContact CD-CG2 4.25Å; K117-T119 VanDerWaalsContact CE-CG2 3.44Å; K117-T119 WeakPolarHBondContact CE-OG1 3.01Å; K117-T119 HydrophobicContact CG-CG2 3.97Å |
| 118 | L | 37.7 | Very low | 36.3 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | | | trans | -139.9 | 156.6 | 141.8 | -82.9 | -172.1 | 0 | 0 | 0 | 110.3 | | |
| 119 | T | 34.2 | Very low | 37.4 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 54% | 0.54 | 78% | 0.775 | S | S | . | * | | | trans | -152 | 152.2 | -160.9 | 41.8 | 0 | 0 | 0 | 0 | 114.5 | K117 | K117-T119 HydrophobicContact CD-CG2 4.25Å; K117-T119 VanDerWaalsContact CE-CG2 3.44Å; K117-T119 WeakPolarHBondContact CE-OG1 3.01Å; K117-T119 HydrophobicContact CG-CG2 3.97Å |
| 120 | V | 39 | Very low | 37.5 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -127.4 | 151.6 | 154.9 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 121 | N | 39.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -84.6 | 163.4 | -171.5 | -56.7 | -23 | 0 | 0 | 0 | 112.1 | | |
| 122 | G | 35.3 | Very low | 38.9 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | cis | 165.3 | -159.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 123 | V | 31.5 | Very low | 39 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | 81.3 | 106.1 | 176 | -169.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 124 | C | 34.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | 23 | 142 | 135.6 | -60.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 125 | A | 33.2 | Very low | 39.3 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | cis | -167.5 | 170.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 126 | S | 34.9 | Very low | 38.8 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | 74.6 | 120.2 | 158.6 | -141 | 0 | 0 | 0 | 0 | 120.6 | | |
| 127 | T | 34.2 | Very low | 39.5 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -122.7 | -176.6 | 165 | 42.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 128 | P | 54.5 | Low | 39.1 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | cis | -122.3 | -124.4 | -35.4 | 24 | 0.2 | 0 | 0 | 0 | 111.6 | | |
| 129 | P | 56.7 | Low | 39 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | | -122.8 | -169.8 | -106.9 | 40.3 | -22.4 | 0 | 0 | 0 | 114.3 | | |
| 130 | L | 38.1 | Very low | 39.2 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 163.3 | 172.9 | 131.4 | -85.2 | 166.1 | 0 | 0 | 0 | 112.8 | | |
| 131 | T | 42.2 | Very low | 39.4 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -123.1 | -141.2 | -164 | 46.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 132 | P | 54.9 | Low | 39.1 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | | -130.2 | 143.8 | -103.5 | 39.5 | -21.8 | 0 | 0 | 0 | 118 | | |
| 133 | I | 32.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | trans | -146.3 | 117.4 | 170 | -59.2 | 93.7 | 0 | 0 | 0 | 106.8 | | |
| 134 | K | 37.5 | Very low | 39.7 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | | 78.7 | 108 | 55.5 | -172 | -159.5 | 171.6 | -178.2 | 0 | 114.5 | | |
| 135 | N | 32.1 | Very low | 39.8 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | 170.8 | 158.2 | 136.6 | -87.8 | -10.3 | 0 | 0 | 0 | 113.5 | | |
| 136 | S | 31.4 | Very low | 40.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -147.1 | -177.5 | 169.9 | 65.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 137 | P | 54.1 | Low | 40.9 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | cis | -127.2 | -175.3 | -8 | 42.1 | -26.9 | 0 | 0 | 0 | 113.5 | | |
| 138 | S | 34.1 | Very low | 41.8 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -156.7 | 168.8 | 161.6 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 139 | L | 35.6 | Very low | 41.3 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | -128.9 | 122.7 | -156.2 | -69.9 | 165.1 | 0 | 0 | 0 | 115.7 | | |
| 140 | F | 37.3 | Very low | 41.3 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | 59.8 | 178.7 | 154.4 | -55.9 | -59.8 | 0 | 0 | 0 | 117.5 | | |
| 141 | P | 44.4 | Very low | 42.8 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | | -132.8 | 143.3 | -84.1 | 38.4 | -21.7 | 0 | 0 | 0 | 115.2 | | |
| 142 | C | 32.9 | Very low | 44.1 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | | | trans | -144.5 | 142.4 | 163.7 | -85.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 143 | A | 34.8 | Very low | 44.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -153.8 | 161.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 144 | P | 44 | Very low | 46.4 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | cis | -120 | 161.7 | -13.3 | 37.7 | -25.3 | 0 | 0 | 0 | 113 | | |
| 145 | L | 36.6 | Very low | 47.9 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -118.6 | 124.5 | 153.6 | -173.2 | 65.1 | 0 | 0 | 0 | 108.8 | E147 | L145-E147 PolarHBondContact O-N 3.3Å; L145-E147 VanDerWaalsContact O-N 3.12Å |
| 146 | C | 49.2 | Very low | 49.3 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 77.2 | -173.8 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 147 | E | 41 | Very low | 50.7 | Low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -82.9 | 151 | 157.9 | -72.1 | -157.1 | 118 | 0 | 0 | 111.6 | L145 G149 | L145-E147 PolarHBondContact O-N 3.3Å; L145-E147 VanDerWaalsContact O-N 3.12Å; E147-G149 PolarHBondContact O-N 2.91Å |
| 148 | R | 53.7 | Low | 50.3 | Low | 251 Ų | 251 | 141.6 Ų | 141.6 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | | | trans | -76.2 | 69.4 | -179.7 | -74.7 | -178.3 | 168.2 | -172.2 | -2.8 | 111.6 | S150 | R148-S150 PolarHBondContact O-N 3.24Š|
| 149 | G | 43.2 | Very low | 51 | Low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -65.3 | 98.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | E147 R151 | E147-G149 PolarHBondContact O-N 2.91Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.83Å |
| 150 | S | 57.9 | Low | 51.7 | Low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -65.9 | 92.8 | 166.9 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | R148 | R148-S150 PolarHBondContact O-N 3.24Š|
| 151 | R | 68.9 | Low | 52.4 | Low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.5 | 172.1 | -67.9 | -178.4 | 177.7 | 179.5 | -1.6 | 108.2 | G149 | G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.83Å |
| 152 | P | 68.6 | Low | 52.5 | Low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 146.9 | 167.6 | 27.4 | -33.5 | 0 | 0 | 0 | 108.7 | | |
| 153 | L | 66.1 | Low | 53.4 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 149.9 | 169.6 | -66.3 | 174.2 | 0 | 0 | 0 | 109.2 | | |
| 154 | P | 70.8 | Confident | 54.1 | Low | 106 Ų | 106 | 142.3 Ų | 142.3 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 143.4 | 168.5 | 26.6 | -34.5 | 0 | 0 | 0 | 109 | L156 | P154-L156 PolarHBondContact O-N 2.93Š|
| 155 | P | 69.1 | Low | 54.2 | Low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.5 | 174.5 | 25.5 | -33.5 | 0 | 0 | 0 | 108.7 | | |
| 156 | L | 61.6 | Low | 55.1 | Low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 145.1 | 172.8 | -64 | 177.8 | 0 | 0 | 0 | 108.8 | P154 I158 | P154-L156 PolarHBondContact O-N 2.93Å; L156-I158 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact O-N 3.08Å |
| 157 | P | 62 | Low | 55.3 | Low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 121 | 173.9 | 24.9 | -33.2 | 0 | 0 | 0 | 108.6 | S159 | P157-S159 PolarHBondContact O-N 3.31Å; P157-S159 VanDerWaalsContact O-N 3.11Å |
| 158 | I | 44.8 | Very low | 56.1 | Low | 160 Ų | 160 | 140.1 Ų | 140.1 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | | | trans | -63.1 | 111.9 | 168.9 | 35.9 | 171.6 | 0 | 0 | 0 | 107.5 | L156 E160 | L156-I158 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact O-N 3.08Å; I158-E160 PolarHBondContact O-N 3.22Å |
| 159 | S | 48.4 | Very low | 56.2 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -62.1 | 106 | 168.2 | -55.9 | 0 | 0 | 0 | 0 | 108 | P157 | P157-S159 PolarHBondContact O-N 3.31Å; P157-S159 VanDerWaalsContact O-N 3.11Å |
| 160 | E | 50 | Low | 57 | Low | 165 Ų | 165 | 138.5 Ų | 138.5 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | -55.7 | 142.3 | 158.5 | -67.7 | -174.7 | 128.9 | 0 | 0 | 108 | I158 L162 | I158-E160 PolarHBondContact O-N 3.22Å; E160-L162 PolarHBondContact O-N 3Å |
| 161 | A | 53.1 | Low | 56.9 | Low | 109 Ų | 109 | 138.3 Ų | 138.3 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | -73.9 | 73.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S163 | A161-S163 PolarHBondContact O-N 3.11Š|
| 162 | L | 46.4 | Very low | 56.1 | Low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -57.5 | 135.8 | 166 | -61.7 | -179.5 | 0 | 0 | 0 | 108.2 | E160 L164 | E160-L162 PolarHBondContact O-N 3Å; L162-L164 PolarHBondContact O-N 3.08Å |
| 163 | S | 51.6 | Low | 54.9 | Low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -54.8 | 129.4 | 179 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | A161 D165 | A161-S163 PolarHBondContact O-N 3.11Å; S163-D165 PolarHBondContact O-N 3.44Å |
| 164 | L | 48.3 | Very low | 54 | Low | 148 Ų | 148 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -56.9 | 110.7 | 169 | -179.1 | 68.4 | 0 | 0 | 0 | 108.8 | L162 | L162-L164 PolarHBondContact O-N 3.08Š|
| 165 | D | 47.2 | Very low | 52.9 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -90.4 | 119.7 | 167.2 | -164.4 | 15.2 | 0 | 0 | 0 | 107.4 | S163 T167 | S163-D165 PolarHBondContact O-N 3.44Å; D165-T167 PolarHBondContact O-N 3.08Å |
| 166 | D | 54.7 | Low | 51.6 | Low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -90.7 | 42.5 | -149.8 | -141.1 | 16.2 | 0 | 0 | 0 | 112 | | |
| 167 | T | 55.1 | Low | 51.2 | Low | 106 Ų | 106 | 137.9 Ų | 137.9 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -134.8 | 21.5 | -159.8 | 75 | 0 | 0 | 0 | 0 | 116.9 | D165 | D165-T167 PolarHBondContact O-N 3.08Š|
| 168 | D | 57.7 | Low | 50.4 | Low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -152.9 | 46.5 | 176 | -127.4 | -12.7 | 0 | 0 | 0 | 114.3 | | |
| 169 | C | 55 | Low | 50.7 | Low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | | | trans | -106 | 57.2 | -174.2 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 170 | E | 59.3 | Low | 50.7 | Low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -125.6 | 42.9 | -174.6 | -69 | -82 | -164.6 | 0 | 0 | 113 | | |
| 171 | V | 56.3 | Low | 50.6 | Low | 111 Ų | 111 | 138 Ų | 138 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | | | trans | -136.4 | 68.1 | 175.6 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | F173 | V171-F173 HydrophobicContact CG1-CD2 4.41Å; V171-F173 HydrophobicContact CG1-CE2 3.8Å; V171-F173 HydrophobicContact CG1-CZ 4.03Å; V171-F173 WeakPolarHBondContact O-CD2 3.48Å; V171-F173 PolarHBondContact O-N 3.33Å |
| 172 | E | 52.3 | Low | 50.3 | Low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -74.7 | 116.9 | 171.6 | -66.6 | -164.3 | 151.8 | 0 | 0 | 111.6 | L174 | E172-L174 PolarHBondContact O-N 3.38Š|
| 173 | F | 43.6 | Very low | 50.5 | Low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -79.4 | 106.1 | 173 | -69.7 | -93.6 | 0 | 0 | 0 | 109.9 | V171 T175 | V171-F173 HydrophobicContact CG1-CD2 4.41Å; V171-F173 HydrophobicContact CG1-CE2 3.8Å; V171-F173 HydrophobicContact CG1-CZ 4.03Å; V171-F173 WeakPolarHBondContact O-CD2 3.48Å; V171-F173 PolarHBondContact O-N 3.33Å; F173-T175 VanDerWaalsContact C-N 3.29Å; F173-T175 PolarHBondContact O-N 3.13Å |
| 174 | L | 47.8 | Very low | 49.9 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | -62.6 | 78.4 | 176.8 | -77.7 | 166.4 | 0 | 0 | 0 | 112.9 | E172 | E172-L174 PolarHBondContact O-N 3.38Š|
| 175 | T | 46 | Very low | 49.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -154 | 67.2 | 173.9 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | F173 | F173-T175 VanDerWaalsContact C-N 3.29Å; F173-T175 PolarHBondContact O-N 3.13Å |
| 176 | S | 42.5 | Very low | 48.8 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -172.6 | 156.9 | 137 | -84.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 177 | S | 53.2 | Low | 47.9 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -37.4 | 124.4 | 172.9 | 49.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 178 | D | 45.9 | Very low | 47 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -125 | 120 | 137.8 | -171.1 | 14.5 | 0 | 0 | 0 | 107.7 | | |
| 179 | T | 50.5 | Low | 46.1 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 52% | 0.521 | 81% | 0.806 | S | S | . | * | | | trans | -139.5 | 163.5 | -178.4 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 180 | D | 47.5 | Very low | 45.3 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 83.9 | 7 | 157.7 | -45 | -51 | 0 | 0 | 0 | 119.8 | | |
| 181 | F | 47.6 | Very low | 44.1 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | trans | -124.5 | 29.3 | 179.4 | -71.1 | -67.4 | 0 | 0 | 0 | 118.1 | | |
| 182 | L | 46.9 | Very low | 43.3 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | | | trans | -130 | 56.3 | 170.2 | -71.5 | 177.1 | 0 | 0 | 0 | 112.4 | | |
| 183 | L | 50.5 | Low | 42.5 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -145.3 | 55.5 | -178.7 | -137.1 | 179.2 | 0 | 0 | 0 | 113.9 | | |
| 184 | E | 40.2 | Very low | 42.1 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -146.4 | 140.4 | 159.6 | -137.5 | 161.4 | -162.5 | 0 | 0 | 112.2 | | |
| 185 | D | 38.3 | Very low | 41.7 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | trans | 39.8 | 92.3 | 167.4 | -69.2 | -3.4 | 0 | 0 | 0 | 121.5 | | |
| 186 | S | 34.2 | Very low | 41.7 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | -142.5 | 123.9 | 133.5 | -79.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 187 | T | 35.7 | Very low | 41.9 | Very low | 133 Ų | 133 | 148 Ų | 148 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | trans | -77.1 | 131.4 | -159.3 | 53 | 0 | 0 | 0 | 0 | 114.7 | | |
| 188 | L | 36.3 | Very low | 41.2 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | | | trans | 8.4 | 120.5 | 153.3 | -70.8 | 169.8 | 0 | 0 | 0 | 118.2 | | |
| 189 | S | 38.9 | Very low | 41.1 | Very low | 117 Ų | 117 | 158.5 Ų | 158.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -122.7 | 135.1 | 152.8 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | F191 | S189-F191 PolarHBondContact O-N 3.03Š|
| 190 | D | 38.3 | Very low | 41 | Very low | 130 Ų | 130 | 159.8 Ų | 159.8 | 70% | 0.695 | 83% | 0.83 | S | S | * | * | | | trans | -63.4 | 122.1 | -169.3 | -99.9 | -69.8 | 0 | 0 | 0 | 113.1 | K192 | D190-K192 IonicContact OD1-NZ 3.57Š|
| 191 | F | 32.7 | Very low | 40.8 | Very low | 199 Ų | 199 | 162.7 Ų | 162.7 | 87% | 0.873 | 84% | 0.837 | S | S | * | * | | | trans | -135.2 | 117.8 | 153 | -117.5 | -89.6 | 0 | 0 | 0 | 110.5 | S189 Y193 | S189-F191 PolarHBondContact O-N 3.03Å; F191-Y193 PolarHBondContact O-N 2.93Å |
| 192 | K | 40.5 | Very low | 41.2 | Very low | 175 Ų | 175 | 165.8 Ų | 165.8 | 76% | 0.761 | 84% | 0.843 | S | S | * | * | | | trans | -69.5 | 125.8 | -179.4 | -63.1 | -60.9 | -174.4 | -157 | 0 | 110.3 | D190 | D190-K192 IonicContact OD1-NZ 3.57Š|
| 193 | Y | 34.3 | Very low | 41.5 | Very low | 231 Ų | 231 | 159.7 Ų | 159.7 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | | | trans | -80.9 | 122.7 | 160.2 | -93.5 | -99.1 | 0 | 0 | 0 | 109.7 | F191 | F191-Y193 PolarHBondContact O-N 2.93Š|
| 194 | D | 37 | Very low | 41.8 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | | | trans | -140.8 | 161.4 | 152.9 | -158.1 | 1.7 | 0 | 0 | 0 | 109.5 | | |
| 195 | V | 39.3 | Very low | 42.7 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | | | trans | -106 | 161.5 | -158.2 | 166.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 196 | P | 45.1 | Very low | 44.2 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | | | cis | -121.7 | 166.6 | 4.5 | 18 | 6.6 | 0 | 0 | 0 | 115.8 | | |
| 197 | G | 46.8 | Very low | 45.9 | Very low | 80 Ų | 80 | 154.4 Ų | 154.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -64.6 | 147.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 198 | R | 39.4 | Very low | 47.2 | Very low | 247 Ų | 247 | 153.5 Ų | 153.5 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | | | trans | -129.2 | 157.2 | 167.2 | -73.8 | -169 | 175.4 | -85.3 | -2.7 | 111.7 | | |
| 199 | R | 43.5 | Very low | 48.4 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -57.7 | 151.5 | -172.1 | -65.9 | 174.1 | 169.4 | -144.9 | -3.7 | 113.3 | F201 | R199-F201 PolarHBondContact O-N 3.28Š|
| 200 | S | 47.6 | Very low | 49.5 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -52.7 | 120.6 | 175.3 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | R202 | S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.25Å |
| 201 | F | 42.9 | Very low | 50 | Low | 202 Ų | 202 | 155.8 Ų | 155.8 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | | | trans | -85.5 | 65.8 | -177.4 | -144.8 | -88.6 | 0 | 0 | 0 | 111.8 | R199 G203 | R199-F201 PolarHBondContact O-N 3.28Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.86Å |
| 202 | R | 57 | Low | 51.2 | Low | 251 Ų | 251 | 153.3 Ų | 153.3 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | | | trans | -66.7 | 92.6 | 166.2 | -82.1 | -171.6 | 175.8 | -112.9 | 3.5 | 108.6 | S200 | S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.25Å |
| 203 | G | 52.6 | Low | 51.6 | Low | 53 Ų | 53 | 152.2 Ų | 152.2 | 55% | 0.546 | 78% | 0.781 | S | S | . | * | | | trans | -132.4 | -29 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | F201 | F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.86Å |
| 204 | C | 57.5 | Low | 52.1 | Low | 126 Ų | 126 | 146.7 Ų | 146.7 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -161.8 | 112.6 | 178.6 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 205 | G | 59.4 | Low | 52.7 | Low | 74 Ų | 74 | 144.8 Ų | 144.8 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 135.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I207 | G205-I207 PolarHBondContact O-N 3.14Š|
| 206 | Q | 68.6 | Low | 52.7 | Low | 202 Ų | 202 | 143.8 Ų | 143.8 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.8 | 170.1 | -73.2 | 176.7 | -24.7 | 0 | 0 | 109.5 | | |
| 207 | I | 70 | Confident | 52.4 | Low | 107 Ų | 107 | 145.1 Ų | 145.1 | 55% | 0.549 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -84.5 | 139 | 175 | 46.5 | 160.3 | 0 | 0 | 0 | 110.2 | G205 F212 | G205-I207 PolarHBondContact O-N 3.14Å; I207-F212 HydrophobicContact CD1-CD2 4.47Å; I207-F212 HydrophobicContact CD1-CE2 3.66Å; I207-F212 HydrophobicContact CD1-CZ 4.36Å |
| 208 | N | 63.2 | Low | 51.9 | Low | 113 Ų | 113 | 145.9 Ų | 145.9 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 116.7 | 175 | -172.6 | -17.8 | 0 | 0 | 0 | 109.8 | A210 Y211 | N208-A210 PolarHBondContact O-N 2.98Å; N208-A210 VanDerWaalsContact O-N 3.1Å; N208-A210 WeakPolarHBondContact OD1-CB 3.45Å; N208-A210 PolarHBondContact OD1-N 3.33Å; N208-A210 VanDerWaalsContact OD1-N 3.07Å; N208-Y211 PolarHBondContact O-N 2.92Å |
| 209 | Y | 61.3 | Low | 51.8 | Low | 186 Ų | 186 | 139.7 Ų | 139.7 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -60.9 | -17.5 | -178.7 | -68.1 | -81.1 | 0 | 0 | 0 | 114.2 | Y211 F212 | Y209-Y211 PolarHBondContact O-N 3.38Å; Y209-F212 PolarHBondContact O-N 2.91Å |
| 210 | A | 62.5 | Low | 51.9 | Low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -61.7 | -11.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N208 | N208-A210 PolarHBondContact O-N 2.98Å; N208-A210 VanDerWaalsContact O-N 3.1Å; N208-A210 WeakPolarHBondContact OD1-CB 3.45Å; N208-A210 PolarHBondContact OD1-N 3.33Å; N208-A210 VanDerWaalsContact OD1-N 3.07Å |
| 211 | Y | 49.5 | Very low | 51.4 | Low | 206 Ų | 206 | 133.8 Ų | 133.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -110.9 | 13.3 | 178.5 | -83.5 | -84.7 | 0 | 0 | 0 | 114.4 | N208 Y209 D213 | N208-Y211 PolarHBondContact O-N 2.92Å; Y209-Y211 PolarHBondContact O-N 3.38Å; Y211-D213 PolarHBondContact O-N 2.92Å |
| 212 | F | 57.1 | Low | 51.1 | Low | 146 Ų | 146 | 132.9 Ų | 132.9 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | | | trans | -82.7 | 92.2 | 173.4 | -108.6 | -102.5 | 0 | 0 | 0 | 111.6 | I207 Y209 T214 | I207-F212 HydrophobicContact CD1-CD2 4.47Å; I207-F212 HydrophobicContact CD1-CE2 3.66Å; I207-F212 HydrophobicContact CD1-CZ 4.36Å; Y209-F212 PolarHBondContact O-N 2.91Å; F212-T214 PolarHBondContact O-N 2.85Å |
| 213 | D | 49.7 | Very low | 50.2 | Low | 153 Ų | 153 | 125.6 Ų | 125.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -75.3 | 104.7 | 173.5 | -164.8 | 16.4 | 0 | 0 | 0 | 109.9 | Y211 P215 | Y211-D213 PolarHBondContact O-N 2.92Å; D213-P215 WeakPolarHBondContact O-CD 3.26Å |
| 214 | T | 45 | Very low | 49.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -71.1 | 119.6 | -178.7 | 39.6 | 0 | 0 | 0 | 0 | 110.9 | F212 A216 | F212-T214 PolarHBondContact O-N 2.85Å; T214-A216 PolarHBondContact O-N 2.96Å; T214-A216 VanDerWaalsContact O-N 3.14Å |
| 215 | P | 48.1 | Very low | 48 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -64.8 | 118.7 | 174.2 | 27.2 | -33.3 | 0 | 0 | 0 | 109.4 | D213 V217 | D213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-V217 PolarHBondContact O-N 3.07Å |
| 216 | A | 39.3 | Very low | 46.7 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 105.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T214 S218 | T214-A216 PolarHBondContact O-N 2.96Å; T214-A216 VanDerWaalsContact O-N 3.14Å; A216-S218 PolarHBondContact O-N 3.44Å |
| 217 | V | 39.2 | Very low | 44.9 | Very low | 141 Ų | 141 | 133 Ų | 133 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | trans | -65.7 | 113.6 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | P215 A219 | P215-V217 PolarHBondContact O-N 3.07Å; V217-A219 PolarHBondContact O-N 3.48Å |
| 218 | S | 35.6 | Very low | 43.5 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | -63.6 | 128.1 | 176.2 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | A216 A220 | A216-S218 PolarHBondContact O-N 3.44Å; S218-A220 PolarHBondContact O-N 2.93Å |
| 219 | A | 39.1 | Very low | 41.9 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 97% | 0.967 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -72.6 | 77.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V217 | V217-A219 PolarHBondContact O-N 3.48Š|
| 220 | A | 45.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 58% | 0.579 | 79% | 0.789 | S | S | * | * | | | trans | -139.4 | 156.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S218 | S218-A220 PolarHBondContact O-N 2.93Š|
| 221 | D | 36.6 | Very low | 39.1 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 59.1 | 53.1 | 176.8 | -59.5 | -7.4 | 0 | 0 | 0 | 116.7 | | |
| 222 | L | 36.4 | Very low | 39 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | | | trans | -124.9 | 79 | 149.7 | -77.9 | -179.1 | 0 | 0 | 0 | 110.3 | | |
| 223 | S | 37.1 | Very low | 38.3 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | | | trans | -135.5 | 55.3 | 177.8 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 224 | Y | 35.7 | Very low | 37.9 | Very low | 229 Ų | 229 | 128.4 Ų | 128.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -127.8 | 137 | 165.4 | -91.3 | -75.8 | 0 | 0 | 0 | 112.9 | | |
| 225 | V | 28.9 | Very low | 38 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -54.4 | 138.6 | -172.4 | 177 | 0 | 0 | 0 | 0 | 112.5 | | |
| 226 | S | 32.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -92 | 105.5 | 163.2 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 227 | D | 30.9 | Very low | 38.5 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -96.6 | 141.3 | 166.7 | -101.2 | -48.4 | 0 | 0 | 0 | 110.9 | | |
| 228 | Q | 39.9 | Very low | 39 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -88.9 | 138 | -178.3 | -62.9 | 174.5 | 81.4 | 0 | 0 | 110.7 | | |
| 229 | N | 31.2 | Very low | 39.8 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 94% | 0.941 | 79% | 0.789 | S | S | * | * | | | trans | -170 | 163.8 | 132.9 | -106.1 | -63.4 | 0 | 0 | 0 | 112.7 | | |
| 230 | G | 34 | Very low | 40.2 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 156.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 231 | G | 30.1 | Very low | 40.3 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 172.1 | 123.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 232 | V | 47.2 | Very low | 40.9 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -93.4 | 127.4 | 170.1 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 233 | P | 43.6 | Very low | 41.4 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -145.3 | 138.6 | 138.4 | 34.2 | -17.7 | 0 | 0 | 0 | 115.7 | | |
| 234 | D | 40.6 | Very low | 42 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | 53.5 | 129.7 | 138.6 | -140.9 | 39.8 | 0 | 0 | 0 | 122.4 | N236 | D234-N236 PolarHBondContact O-N 2.99Š|
| 235 | P | 46.6 | Very low | 42.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -93.7 | 67.6 | -177.4 | 38.5 | -35.1 | 0 | 0 | 0 | 113.6 | | |
| 236 | N | 45.5 | Very low | 43.6 | Very low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | | | trans | -140.9 | 105.9 | 175.1 | -79.8 | -69 | 0 | 0 | 0 | 113.2 | D234 | D234-N236 PolarHBondContact O-N 2.99Š|
| 237 | P | 53.6 | Low | 44.8 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 134.7 | 166.5 | 30.5 | -32.2 | 0 | 0 | 0 | 110.6 | | |
| 238 | P | 48.6 | Very low | 45.6 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 152.3 | -180 | 29.3 | -35.2 | 0 | 0 | 0 | 112 | | |
| 239 | P | 51.8 | Low | 46.2 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137 | 176.1 | 27.2 | -34.4 | 0 | 0 | 0 | 110.9 | Q241 | P239-Q241 PolarHBondContact O-N 3.12Š|
| 240 | P | 48.7 | Very low | 47.6 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.9 | -178.3 | 25.2 | -33.8 | 0 | 0 | 0 | 111.4 | | |
| 241 | Q | 47.2 | Very low | 48.7 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.1 | -174.1 | -66.8 | 178.6 | -55.6 | 0 | 0 | 112 | P239 H243 | P239-Q241 PolarHBondContact O-N 3.12Å; Q241-H243 PolarHBondContact O-CD2 2.68Å; Q241-H243 PolarHBondContact O-N 3.16Å |
| 242 | T | 50.3 | Low | 50.2 | Low | 144 Ų | 144 | 148.9 Ų | 148.9 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -73.5 | 85.7 | 177.9 | 53.7 | 0 | 0 | 0 | 0 | 111 | R244 | T242-R244 PolarHBondContact O-N 2.82Š|
| 243 | H | 45.5 | Very low | 50.5 | Low | 160 Ų | 160 | 148.3 Ų | 148.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -61.4 | 121.5 | -176.8 | -76.1 | -89.4 | 0 | 0 | 0 | 112.8 | Q241 | Q241-H243 PolarHBondContact O-CD2 2.68Å; Q241-H243 PolarHBondContact O-N 3.16Å |
| 244 | R | 50.6 | Low | 50.8 | Low | 225 Ų | 225 | 148.1 Ų | 148.1 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | | | trans | 55.5 | 91.7 | 149.6 | -161.3 | 176.2 | -167.7 | 169.2 | 3 | 116.1 | T242 L246 | T242-R244 PolarHBondContact O-N 2.82Å; R244-L246 PolarHBondContact O-N 3.3Å |
| 245 | R | 54.1 | Low | 51.3 | Low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | trans | -51.8 | 97.7 | 161.2 | -79.4 | 178.4 | 168.9 | 164.8 | -4 | 110.7 | R247 | R245-R247 PolarHBondContact O-N 3.16Š|
| 246 | L | 44.3 | Very low | 51.3 | Low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | | | trans | -65.3 | 116.3 | 173.3 | -172 | 69.7 | 0 | 0 | 0 | 108.8 | R244 R248 | R244-L246 PolarHBondContact O-N 3.3Å; L246-R248 PolarHBondContact O-N 2.94Å |
| 247 | R | 55.7 | Low | 51.4 | Low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 123.1 | 172.2 | -57.4 | -145.7 | 82.7 | -162 | 4.6 | 107.7 | R245 S249 | R245-R247 PolarHBondContact O-N 3.16Å; R247-S249 PolarHBondContact O-N 3.29Å |
| 248 | R | 49.1 | Very low | 50.9 | Low | 235 Ų | 235 | 149.6 Ų | 149.6 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | -64.9 | 104.3 | 174.4 | -67.4 | -175.1 | 177.5 | -150 | -1.5 | 108.6 | L246 | L246-R248 PolarHBondContact O-N 2.94Š|
| 249 | S | 53 | Low | 51.3 | Low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | -61.1 | 133.6 | 165 | 37.5 | 0 | 0 | 0 | 0 | 108.8 | R247 S251 | R247-S249 PolarHBondContact O-N 3.29Å; S249-S251 PolarHBondContact O-N 2.92Å |
| 250 | H | 59.8 | Low | 51.2 | Low | 199 Ų | 199 | 152.7 Ų | 152.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -78.8 | 89 | -177.3 | -71.6 | -107 | 0 | 0 | 0 | 110.2 | | |
| 251 | S | 57.1 | Low | 50.8 | Low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -130.4 | 66 | 172.9 | 63.3 | 0 | 0 | 0 | 0 | 111 | S249 | S249-S251 PolarHBondContact O-N 2.92Š|
| 252 | G | 60.7 | Low | 50.6 | Low | 63 Ų | 63 | 150.8 Ų | 150.8 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | -76.7 | 164.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A254 | G252-A254 PolarHBondContact O-N 3.38Š|
| 253 | P | 54.6 | Low | 50.3 | Low | 137 Ų | 137 | 155 Ų | 155 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -60.6 | 118.3 | 179.9 | -23 | 34.2 | 0 | 0 | 0 | 112.1 | G255 | P253-G255 PolarHBondContact O-N 3.14Š|
| 254 | A | 48.8 | Very low | 50 | Low | 110 Ų | 110 | 154.8 Ų | 154.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | -81.1 | 109.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G252 | G252-A254 PolarHBondContact O-N 3.38Š|
| 255 | G | 52.6 | Low | 49.3 | Very low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 159.3 | 30 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | P253 | P253-G255 PolarHBondContact O-N 3.14Š|
| 256 | S | 45.5 | Very low | 48.6 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | -118.2 | 69.3 | 174.5 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | N258 | S256-N258 PolarHBondContact O-N 3.35Š|
| 257 | F | 47.5 | Very low | 47.9 | Very low | 193 Ų | 193 | 143 Ų | 143 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 63.9 | 174.8 | -97.5 | -76.6 | 0 | 0 | 0 | 112.7 | K259 | F257-K259 PolarHBondContact O-N 3.04Š|
| 258 | N | 43.1 | Very low | 46.9 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -69.8 | 93.5 | 168.6 | -75.4 | -14.1 | 0 | 0 | 0 | 109.6 | S256 | S256-N258 PolarHBondContact O-N 3.35Š|
| 259 | K | 57.2 | Low | 46.1 | Very low | 175 Ų | 175 | 133 Ų | 133 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | -76.7 | 126.1 | 171.6 | -64.9 | -178.5 | -178.9 | 179.6 | 0 | 109.6 | F257 A261 | F257-K259 PolarHBondContact O-N 3.04Å; K259-A261 PolarHBondContact O-N 2.97Å |
| 260 | P | 49.9 | Very low | 45.3 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -67.9 | 118 | 167.6 | 28.1 | -32.2 | 0 | 0 | 0 | 109.2 | I262 | P260-I262 PolarHBondContact O-N 2.91Å; P260-I262 VanDerWaalsContact O-N 3.14Å |
| 261 | A | 39.4 | Very low | 44 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | trans | -73.4 | 102.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K259 R263 | K259-A261 PolarHBondContact O-N 2.97Å; A261-R263 PolarHBondContact O-N 3.47Å; A261-R263 VanDerWaalsContact O-N 3.11Å |
| 262 | I | 44.8 | Very low | 42.9 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -66.6 | 110.6 | 173.2 | -60.8 | 178.2 | 0 | 0 | 0 | 108 | P260 I264 | P260-I262 PolarHBondContact O-N 2.91Å; P260-I262 VanDerWaalsContact O-N 3.14Å; I262-I264 PolarHBondContact O-N 3.04Å |
| 263 | R | 44 | Very low | 41.8 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 112.9 | 173.3 | -73.5 | -171.6 | -78.2 | -148.4 | -2.4 | 109.2 | A261 | A261-R263 PolarHBondContact O-N 3.47Å; A261-R263 VanDerWaalsContact O-N 3.11Å |
| 264 | I | 38.3 | Very low | 41.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -91.9 | 108.9 | 163.3 | -57.9 | 177.7 | 0 | 0 | 0 | 106.7 | I262 | I262-I264 PolarHBondContact O-N 3.04Š|
| 265 | S | 35.1 | Very low | 41.2 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -117.4 | 126.4 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 266 | N | 41.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -63.5 | 134.2 | -167.3 | -63.5 | 2.6 | 0 | 0 | 0 | 114.5 | | |
| 267 | C | 28.1 | Very low | 41.1 | Very low | 122 Ų | 122 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -172.8 | 136.5 | 154.7 | -102.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 268 | C | 34.9 | Very low | 41.3 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | | | cis | -143.6 | 145.1 | 10.8 | -72.6 | 0 | 0 | 0 | 0 | 113 | | |
| 269 | I | 33.6 | Very low | 41.9 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | | 39.2 | 113.6 | 128.1 | -57.7 | 177 | 0 | 0 | 0 | 120.1 | | |
| 270 | H | 34.8 | Very low | 42 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | 24.5 | 119.4 | 141.8 | -56.7 | -99.1 | 0 | 0 | 0 | 121.9 | | |
| 271 | R | 33.3 | Very low | 42.1 | Very low | 259 Ų | 259 | 145.6 Ų | 145.6 | 98% | 0.977 | 80% | 0.795 | S | S | * | * | | | | -167.8 | -177.7 | 116.3 | -105.9 | 174.3 | -176.8 | -168.4 | 0.8 | 111.4 | | |
| 272 | A | 34.5 | Very low | 43.1 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -137.4 | -179.2 | -158 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 273 | S | 36.1 | Very low | 44 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 92.9 | 159.3 | 167.9 | 81.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 274 | P | 53.3 | Low | 44.6 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | | | trans | -120.9 | -175.2 | -149.5 | 44.6 | -35.1 | 0 | 0 | 0 | 116.8 | | |
| 275 | N | 37.1 | Very low | 45.9 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | 118.2 | 159.5 | 159.6 | -60.9 | -40.8 | 0 | 0 | 0 | 115.7 | | |
| 276 | S | 42.1 | Very low | 47.3 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 64.2 | 116.9 | -160.9 | -130.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 277 | D | 55.2 | Low | 48.2 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | cis | 65.1 | 150.6 | 16.3 | -142.2 | 3.3 | 0 | 0 | 0 | 116 | | |
| 278 | E | 51.5 | Low | 50 | Low | 187 Ų | 187 | 143.4 Ų | 143.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 67.4 | 46.3 | -171 | -58 | -160.9 | 143.6 | 0 | 0 | 117.8 | | |
| 279 | D | 56 | Low | 51.2 | Low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -155 | 117.6 | 133.4 | -173.9 | 17.7 | 0 | 0 | 0 | 111.5 | | |
| 280 | K | 58.4 | Low | 52.6 | Low | 185 Ų | 185 | 143.5 Ų | 143.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -147.4 | 120.9 | 166.6 | -86.5 | -179.1 | -177.1 | 157.5 | 0 | 109.4 | | |
| 281 | P | 53.3 | Low | 54.3 | Low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -64.7 | 138.5 | 169.5 | 27.4 | -33.8 | 0 | 0 | 0 | 110.2 | I283 | P281-I283 PolarHBondContact O-N 3.15Å; P281-I283 VanDerWaalsContact O-N 3.11Å |
| 282 | E | 59.8 | Low | 55.5 | Low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -61.7 | 112.6 | 179.2 | -170.2 | -179.6 | 164.7 | 0 | 0 | 110.4 | P284 | E282-P284 WeakPolarHBondContact O-CD 3.43Š|
| 283 | I | 62.5 | Low | 56.7 | Low | 109 Ų | 109 | 141.2 Ų | 141.2 | 56% | 0.559 | 77% | 0.771 | S | S | * | * | | | trans | -86.1 | 114.5 | 178.2 | -55.3 | 178.6 | 0 | 0 | 0 | 107.6 | P281 | P281-I283 PolarHBondContact O-N 3.15Å; P281-I283 VanDerWaalsContact O-N 3.11Å |
| 284 | P | 57.8 | Low | 57.8 | Low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -59.5 | 144 | 177.2 | 24.7 | -33.9 | 0 | 0 | 0 | 110.3 | E282 R286 | E282-P284 WeakPolarHBondContact O-CD 3.43Å; P284-R286 PolarHBondContact O-N 3.47Å |
| 285 | P | 64.8 | Low | 58.1 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -58.8 | 115.2 | -168.6 | 21.6 | -33.2 | 0 | 0 | 0 | 111.3 | V287 | P285-V287 PolarHBondContact O-N 3.3Å; P285-V287 VanDerWaalsContact O-N 3.16Å |
| 286 | R | 65 | Low | 59 | Low | 204 Ų | 204 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.4 | 178.9 | -70.5 | -174.9 | 173.5 | 107.3 | -0.1 | 109.3 | P284 | P284-R286 PolarHBondContact O-N 3.47Š|
| 287 | V | 59.7 | Low | 59.5 | Low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 132.5 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | P285 I289 | P285-V287 PolarHBondContact O-N 3.3Å; P285-V287 VanDerWaalsContact O-N 3.16Å; V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.16Å |
| 288 | P | 65.9 | Low | 59.3 | Low | 117 Ų | 117 | 147.1 Ų | 147.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121 | 178.4 | -27 | 35.4 | 0 | 0 | 0 | 111.5 | P290 | P288-P290 WeakPolarHBondContact O-CD 3.46Š|
| 289 | I | 61.5 | Low | 59.4 | Low | 153 Ų | 153 | 149.1 Ų | 149.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 120.6 | 178.2 | -57.3 | 174.6 | 0 | 0 | 0 | 107.7 | V287 | V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.16Å |
| 290 | P | 61.4 | Low | 59.2 | Low | 103 Ų | 103 | 153.3 Ų | 153.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.8 | 177.1 | 26.1 | -33.7 | 0 | 0 | 0 | 110.4 | P288 R292 | P288-P290 WeakPolarHBondContact O-CD 3.46Å; P290-R292 PolarHBondContact O-N 3.14Å |
| 291 | P | 70.3 | Confident | 58.6 | Low | 126 Ų | 126 | 155.9 Ų | 155.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.8 | -177.8 | 24.7 | -33.6 | 0 | 0 | 0 | 110.5 | | |
| 292 | R | 60.2 | Low | 58.5 | Low | 232 Ų | 232 | 156.5 Ų | 156.5 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.5 | 177.3 | -75.8 | 177.6 | -77.9 | 156.1 | -3.7 | 109.1 | P290 V294 | P290-R292 PolarHBondContact O-N 3.14Å; R292-V294 PolarHBondContact O-N 3.13Å |
| 293 | P | 59.3 | Low | 57.9 | Low | 119 Ų | 119 | 151.3 Ų | 151.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135 | 175.4 | 25.2 | -33.4 | 0 | 0 | 0 | 109.8 | K295 | P293-K295 PolarHBondContact O-N 3.05Š|
| 294 | V | 59.5 | Low | 57 | Low | 140 Ų | 140 | 156 Ų | 156 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 126.1 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | R292 | R292-V294 PolarHBondContact O-N 3.13Š|
| 295 | K | 58.3 | Low | 56.4 | Low | 181 Ų | 181 | 157.1 Ų | 157.1 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.8 | 175.1 | -77.5 | -175.4 | 173.1 | -176.7 | 0 | 109.1 | P293 D297 | P293-K295 PolarHBondContact O-N 3.05Å; K295-D297 PolarHBondContact O-N 3.4Å |
| 296 | P | 56.9 | Low | 55.5 | Low | 96 Ų | 96 | 157.4 Ų | 157.4 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129.3 | 161.6 | -21.4 | 33.2 | 0 | 0 | 0 | 109.3 | Y298 | P296-Y298 HydrophobicContact CB-CE2 4.4Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 PolarHBondContact O-N 3.4Å |
| 297 | D | 51.5 | Low | 54.5 | Low | 137 Ų | 137 | 153.7 Ų | 153.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -72.1 | 97.9 | 177 | -88.9 | -50.4 | 0 | 0 | 0 | 110.6 | K295 R299 | K295-D297 PolarHBondContact O-N 3.4Å; D297-R299 PolarHBondContact O-N 2.7Å |
| 298 | Y | 50.9 | Low | 53.8 | Low | 208 Ų | 208 | 153.3 Ų | 153.3 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 33.3 | 166.8 | -75 | -89.5 | 0 | 0 | 0 | 112.7 | P296 | P296-Y298 HydrophobicContact CB-CE2 4.4Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 PolarHBondContact O-N 3.4Å |
| 299 | R | 54.6 | Low | 53.3 | Low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 8.1 | 174 | -71.9 | -77.3 | -107.7 | -151.7 | -6.2 | 112.3 | D297 W301 | D297-R299 PolarHBondContact O-N 2.7Å; R299-W301 PolarHBondContact O-N 3.44Å |
| 300 | R | 51.7 | Low | 52.4 | Low | 237 Ų | 237 | 157.1 Ų | 157.1 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | -94.3 | 69.8 | 167.9 | -88 | -176.1 | 161.1 | -115.4 | -0.6 | 111.9 | | |
| 301 | W | 46.1 | Very low | 52.2 | Low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -111.9 | 82.5 | 158.4 | -81 | -14.6 | 0 | 0 | 0 | 109.5 | R299 | R299-W301 PolarHBondContact O-N 3.44Š|
| 302 | S | 51.5 | Low | 51.5 | Low | 118 Ų | 118 | 155.5 Ų | 155.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -162.2 | 118.6 | 163.1 | -79.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 303 | A | 46.3 | Very low | 51.4 | Low | 82 Ų | 82 | 153.4 Ų | 153.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | 38.8 | 89.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | V305 | A303-V305 HydrophobicContact CB-CB 4.24Å; A303-V305 HydrophobicContact CB-CG2 3.79Å; A303-V305 PolarHBondContact O-N 3.5Å |
| 304 | E | 44 | Very low | 51.6 | Low | 209 Ų | 209 | 155.2 Ų | 155.2 | 98% | 0.977 | 80% | 0.798 | S | S | * | * | | | trans | -71.9 | 88.2 | 133.5 | -74.2 | 178 | -130 | 0 | 0 | 107.8 | | |
| 305 | V | 45.4 | Very low | 51.8 | Low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -118.9 | 125.3 | 169.6 | 172 | 0 | 0 | 0 | 0 | 107.1 | A303 | A303-V305 HydrophobicContact CB-CB 4.24Å; A303-V305 HydrophobicContact CB-CG2 3.79Å; A303-V305 PolarHBondContact O-N 3.5Å |
| 306 | T | 44.7 | Very low | 52.3 | Low | 131 Ų | 131 | 152.4 Ų | 152.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -65.2 | 136.6 | -176.1 | 38.5 | 0 | 0 | 0 | 0 | 111.5 | S308 | T306-S308 PolarHBondContact O-N 2.84Å; T306-S308 VanDerWaalsContact O-N 3.17Å |
| 307 | S | 45.5 | Very low | 52.8 | Low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -62.1 | 113.8 | 172.3 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 308 | S | 44.1 | Very low | 53.3 | Low | 115 Ų | 115 | 154.2 Ų | 154.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -128.1 | 120.5 | 166.4 | -171 | 0 | 0 | 0 | 0 | 109.1 | T306 | T306-S308 PolarHBondContact O-N 2.84Å; T306-S308 VanDerWaalsContact O-N 3.17Å |
| 309 | T | 55.8 | Low | 54 | Low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -76.5 | 123.2 | -179.4 | 48.6 | 0 | 0 | 0 | 0 | 111 | | |
| 310 | Y | 43.1 | Very low | 54.7 | Low | 223 Ų | 223 | 142 Ų | 142 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | | -173.8 | 157.8 | 127.5 | -120.6 | -103.2 | 0 | 0 | 0 | 111.6 | | |
| 311 | S | 56.7 | Low | 55.4 | Low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | -64.6 | 124.6 | -172.5 | 165.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 312 | D | 55.7 | Low | 56.6 | Low | 89 Ų | 89 | 135 Ų | 135 | 48% | 0.476 | 75% | 0.748 | S | S | . | * | | | trans | -151.1 | 41.3 | 155.4 | -158.2 | 29.9 | 0 | 0 | 0 | 112.7 | D314 R315 | D312-D314 VanDerWaalsContact C-N 3.29Å; D312-D314 PolarHBondContact O-N 2.9Å; D312-R315 VanDerWaalsContact OD1-CD 3.22Å; D312-R315 WeakPolarHBondContact OD1-CD 3.45Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NE 3.6Å; D312-R315 IonicContact OD1-NH1 2.79Å; D312-R315 PolarHBondContact OD1-NH1 3.35Å; D312-R315 IonicContact OD2-NH1 2.8Å |
| 313 | E | 58.3 | Low | 57.3 | Low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 6.7 | -168.8 | -60.8 | -60.8 | 152 | 0 | 0 | 116.3 | | |
| 314 | D | 62.9 | Low | 58.2 | Low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 40.7 | 176.7 | -166.6 | 28.3 | 0 | 0 | 0 | 112.4 | D312 | D312-D314 VanDerWaalsContact C-N 3.29Å; D312-D314 PolarHBondContact O-N 2.9Å |
| 315 | R | 63.6 | Low | 58.8 | Low | 156 Ų | 156 | 137.3 Ų | 137.3 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -130.6 | 119 | 169.8 | -69.6 | -170 | 173.9 | 150 | -7.8 | 110.1 | D312 | D312-R315 VanDerWaalsContact OD1-CD 3.22Å; D312-R315 WeakPolarHBondContact OD1-CD 3.45Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NE 3.6Å; D312-R315 IonicContact OD1-NH1 2.79Å; D312-R315 PolarHBondContact OD1-NH1 3.35Å; D312-R315 IonicContact OD2-NH1 2.8Å |
| 316 | P | 68.6 | Low | 59.4 | Low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | trans | -58 | 140.1 | 170.9 | 25.2 | -33.1 | 0 | 0 | 0 | 108.8 | K318 | P316-K318 PolarHBondContact O-N 3.48Š|
| 317 | P | 67.5 | Low | 59.9 | Low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | trans | -56.8 | 140.8 | -174.3 | 22.3 | -33.4 | 0 | 0 | 0 | 110 | V319 | P317-V319 PolarHBondContact O-N 3.22Š|
| 318 | K | 63.3 | Low | 60.3 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | | | trans | -70.7 | 80 | 175.8 | -87.7 | 62.4 | 175.6 | 179.6 | 0 | 108.9 | P316 P320 | P316-K318 PolarHBondContact O-N 3.48Å; K318-P320 WeakPolarHBondContact O-CD 3.49Å |
| 319 | V | 64.6 | Low | 61 | Low | 78 Ų | 78 | 137.7 Ų | 137.7 | 47% | 0.473 | 74% | 0.744 | S | S | . | * | | | trans | -58.2 | 125.6 | 164.9 | -169.2 | 0 | 0 | 0 | 0 | 106.2 | P317 | P317-V319 PolarHBondContact O-N 3.22Š|
| 320 | P | 69.7 | Low | 61.1 | Low | 101 Ų | 101 | 134.5 Ų | 134.5 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | | | trans | -51.5 | 144.4 | 171.2 | -26.1 | 34.9 | 0 | 0 | 0 | 109.7 | K318 R322 | K318-P320 WeakPolarHBondContact O-CD 3.49Å; P320-R322 PolarHBondContact O-N 3.06Å |
| 321 | P | 67.1 | Low | 62.1 | Low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | | | trans | -54.5 | 114.6 | 177.8 | 23.5 | -33.1 | 0 | 0 | 0 | 108.1 | E323 | P321-E323 PolarHBondContact O-N 3.1Š|
| 322 | R | 69.3 | Low | 62.1 | Low | 207 Ų | 207 | 135.4 Ų | 135.4 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | -67.1 | 106 | 175.8 | -70.4 | -173.7 | 177.6 | 100.7 | -1.2 | 106.3 | P320 | P320-R322 PolarHBondContact O-N 3.06Š|
| 323 | E | 68.3 | Low | 62.1 | Low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | -46.2 | 134.9 | 166.7 | -64.1 | 179.4 | 164.4 | 0 | 0 | 108.2 | P321 L325 | P321-E323 PolarHBondContact O-N 3.1Å; E323-L325 PolarHBondContact O-N 3.13Å |
| 324 | P | 63.8 | Low | 62 | Low | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | | | trans | -59.3 | 109.6 | -178.8 | 24.4 | -33 | 0 | 0 | 0 | 108 | S326 | P324-S326 PolarHBondContact O-N 3.19Š|
| 325 | L | 56.3 | Low | 62.1 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | | | trans | -54.6 | 116.4 | -169.9 | -68.7 | 174.9 | 0 | 0 | 0 | 109.4 | E323 | E323-L325 PolarHBondContact O-N 3.13Š|
| 326 | S | 57.7 | Low | 62.4 | Low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | -55 | 139.7 | 177.6 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | P324 S328 | P324-S326 PolarHBondContact O-N 3.19Å; S326-S328 PolarHBondContact O-N 2.87Å |
| 327 | P | 56.7 | Low | 63.1 | Low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -62 | 97.5 | -159.3 | 20.4 | -33 | 0 | 0 | 0 | 113.2 | N329 | P327-N329 PolarHBondContact O-N 2.88Š|
| 328 | S | 52.8 | Low | 64.2 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | trans | 21.7 | 77.1 | 167.1 | -162.2 | 0 | 0 | 0 | 0 | 116.5 | S326 S330 | S326-S328 PolarHBondContact O-N 2.87Å; S328-S330 PolarHBondContact O-N 2.86Å |
| 329 | N | 59.1 | Low | 65.5 | Low | 164 Ų | 164 | 130 Ų | 130 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | | | trans | -74 | 73.3 | 159.4 | -116.4 | -43.3 | 0 | 0 | 0 | 109.3 | P327 R331 | P327-N329 PolarHBondContact O-N 2.88Å; N329-R331 PolarHBondContact O-N 3.43Å |
| 330 | S | 57.5 | Low | 66.8 | Low | 60 Ų | 60 | 132.2 Ų | 132.2 | 42% | 0.42 | 75% | 0.75 | S | S | . | * | | | trans | -60.2 | 106.8 | -174.5 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | S328 T332 | S328-S330 PolarHBondContact O-N 2.86Å; S330-T332 PolarHBondContact O-N 2.88Å; S330-T332 PolarHBondContact OG-O 3.07Å; S330-T332 PolarHBondContact OG-OG1 3.23Å |
| 331 | R | 64.4 | Low | 68 | Low | 254 Ų | 254 | 131 Ų | 131 | 96% | 0.958 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -72.3 | 0.6 | 176.3 | -75.9 | -175 | 171 | 178.8 | -2.2 | 114.6 | N329 | N329-R331 PolarHBondContact O-N 3.43Š|
| 332 | T | 57.5 | Low | 69.2 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -106.3 | 134.5 | 163.4 | 52.6 | 0 | 0 | 0 | 0 | 110 | S330 S334 | S330-T332 PolarHBondContact O-N 2.88Å; S330-T332 PolarHBondContact OG-O 3.07Å; S330-T332 PolarHBondContact OG-OG1 3.23Å; T332-S334 VanDerWaalsContact C-N 3.31Å; T332-S334 PolarHBondContact O-N 2.73Å |
| 333 | P | 55.4 | Low | 70.4 | Confident | 130 Ų | 130 | 129.4 Ų | 129.4 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | | | trans | -71 | 90 | 172.8 | 30.1 | -33.4 | 0 | 0 | 0 | 108.9 | | |
| 334 | S | 56.8 | Low | 71.6 | Confident | 63 Ų | 63 | 124.3 Ų | 124.3 | 44% | 0.441 | 72% | 0.724 | S | S | . | * | | | trans | -62.4 | 139.4 | 174.6 | -73 | 0 | 0 | 0 | 0 | 109.7 | T332 K336 S337 | T332-S334 VanDerWaalsContact C-N 3.31Å; T332-S334 PolarHBondContact O-N 2.73Å; S334-K336 PolarHBondContact O-N 3.4Å; S334-S337 PolarHBondContact O-N 2.8Å |
| 335 | P | 63.4 | Low | 73.1 | Confident | 135 Ų | 135 | 123.3 Ų | 123.3 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -73.4 | 29.4 | -176.1 | 32.2 | -37.9 | 0 | 0 | 0 | 113.7 | | |
| 336 | K | 70.9 | Confident | 75.1 | Confident | 182 Ų | 182 | 121.9 Ų | 121.9 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | trans | -143.3 | 43.9 | -179.1 | -63.3 | -172.2 | 178 | -175.5 | 0 | 109.9 | S334 L338 | S334-K336 PolarHBondContact O-N 3.4Å; K336-L338 PolarHBondContact O-N 2.8Å |
| 337 | S | 82.9 | Confident | 76.9 | Confident | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -74.2 | 68.1 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | S334 | S334-S337 PolarHBondContact O-N 2.8Š|
| 338 | L | 90.6 | Very high | 78.8 | Confident | 147 Ų | 147 | 120.1 Ų | 120.1 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | | | trans | -72.1 | 150.7 | 166.7 | -61.4 | 179 | 0 | 0 | 0 | 109.6 | K336 | K336-L338 PolarHBondContact O-N 2.8Š|
| 339 | P | 90.9 | Very high | 80.9 | Confident | 82 Ų | 82 | 120.8 Ų | 120.8 | 53% | 0.532 | 69% | 0.692 | S | S | . | * | | | trans | -68.4 | 132.4 | 175.5 | 28.9 | -34.4 | 0 | 0 | 0 | 111.1 | Y341 | P339-Y341 HydrophobicContact CB-CD2 4.38Å; P339-Y341 HydrophobicContact CB-CE1 4.2Å; P339-Y341 HydrophobicContact CB-CE2 3.72Å; P339-Y341 HydrophobicContact CG-CD2 4.35Å; P339-Y341 HydrophobicContact CG-CE2 3.62Å; P339-Y341 PolarHBondContact O-N 3.38Å |
| 340 | S | 91.8 | Very high | 82.6 | Confident | 124 Ų | 124 | 119 Ų | 119 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | | | trans | -88.6 | 103.5 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 341 | Y | 94.8 | Very high | 84.4 | Confident | 77 Ų | 77 | 120.7 Ų | 120.7 | 30% | 0.302 | 69% | 0.69 | S | S | . | * | | | trans | -108.4 | 142.5 | 175.1 | -60.5 | -51.2 | 0 | 0 | 0 | 111.8 | P339 N343 G344 V345 M346 P347 | P339-Y341 HydrophobicContact CB-CD2 4.38Å; P339-Y341 HydrophobicContact CB-CE1 4.2Å; P339-Y341 HydrophobicContact CB-CE2 3.72Å; P339-Y341 HydrophobicContact CG-CD2 4.35Å; P339-Y341 HydrophobicContact CG-CE2 3.62Å; P339-Y341 PolarHBondContact O-N 3.38Å; Y341-N343 PolarHBondContact O-N 2.87Å; Y341-G344 PolarHBondContact O-N 3.2Å; Y341-V345 WeakPolarHBondContact CB-O 3.12Å; Y341-M346 HydrophobicContact CD2-CB 4.44Å; Y341-M346 HydrophobicContact CE1-CG 4.49Å; Y341-M346 HydrophobicContact CE2-CB 4.13Å; Y341-M346 HydrophobicContact CE2-CG 4.09Å; Y341-P347 HydrophobicContact CE1-CG 4.36Å |
| 342 | L | 93.1 | Very high | 85.9 | Confident | 147 Ų | 147 | 114 Ų | 114 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -62.8 | 125 | 171.2 | -179.7 | 62 | 0 | 0 | 0 | 109.1 | G344 V345 | L342-G344 PolarHBondContact O-N 2.77Å; L342-V345 PolarHBondContact O-N 2.73Å |
| 343 | N | 93.6 | Very high | 87.6 | Confident | 150 Ų | 150 | 112.4 Ų | 112.4 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | 52.4 | 20.6 | -175.9 | -56.5 | -8.3 | 0 | 0 | 0 | 114.4 | Y341 V345 | Y341-N343 PolarHBondContact O-N 2.87Å; N343-V345 VanDerWaalsContact C-N 3.26Å; N343-V345 HydrophobicContact CB-CG2 4.46Å; N343-V345 PolarHBondContact O-N 3.33Å |
| 344 | G | 93.6 | Very high | 89.4 | Confident | 58 Ų | 58 | 112 Ų | 112 | 60% | 0.598 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | 76.7 | 0.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y341 L342 M346 | Y341-G344 PolarHBondContact O-N 3.2Å; L342-G344 PolarHBondContact O-N 2.77Å; G344-M346 PolarHBondContact O-N 3.27Å |
| 345 | V | 95.9 | Very high | 91.2 | Very high | 108 Ų | 108 | 111.3 Ų | 111.3 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | | | trans | -78.6 | 115.7 | -174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | Y341 L342 N343 | Y341-V345 WeakPolarHBondContact CB-O 3.12Å; L342-V345 PolarHBondContact O-N 2.73Å; N343-V345 VanDerWaalsContact C-N 3.26Å; N343-V345 HydrophobicContact CB-CG2 4.46Å; N343-V345 PolarHBondContact O-N 3.33Å |
| 346 | M | 96.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 109.6 Ų | 109.6 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | | | trans | -73.1 | 135.3 | 176.1 | -171.4 | -177.9 | 72.1 | 0 | 0 | 111 | Y341 G344 | Y341-M346 HydrophobicContact CD2-CB 4.44Å; Y341-M346 HydrophobicContact CE1-CG 4.49Å; Y341-M346 HydrophobicContact CE2-CB 4.13Å; Y341-M346 HydrophobicContact CE2-CG 4.09Å; G344-M346 PolarHBondContact O-N 3.27Å |
| 347 | P | 96.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 108.7 Ų | 108.7 | 38% | 0.377 | 64% | 0.639 | S | S | . | * | | | trans | -70.6 | 155.2 | 173.3 | 30.6 | -35.7 | 0 | 0 | 0 | 111.6 | Y341 T349 | Y341-P347 HydrophobicContact CE1-CG 4.36Å; P347-T349 PolarHBondContact O-N 2.83Å; P347-T349 VanDerWaalsContact O-N 3.13Å |
| 348 | P | 97.1 | Very high | 94.2 | Very high | 137 Ų | 137 | 110.4 Ų | 110.4 | 89% | 0.89 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -60.4 | -24.4 | 179.7 | -25.7 | 34.9 | 0 | 0 | 0 | 114.8 | | |
| 349 | T | 95.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 106.1 Ų | 106.1 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | | | trans | -144.5 | 156.4 | 174.9 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | P347 | P347-T349 PolarHBondContact O-N 2.83Å; P347-T349 VanDerWaalsContact O-N 3.13Å |
| 350 | Q | 95.7 | Very high | 94.2 | Very high | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | | | trans | -123.9 | 126.6 | 167.2 | 178.4 | 176.3 | -30.6 | 0 | 0 | 108.4 | | |
| 351 | S | 95.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 104 Ų | 104 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | | | trans | -79.3 | 138.3 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | A353 | S351-A353 WeakPolarHBondContact OG-CB 3.18Å; S351-A353 PolarHBondContact OG-N 3.24Å; S351-A353 VanDerWaalsContact OG-N 3.16Å |
| 352 | F | 95.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 108.1 Ų | 108.1 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | | | trans | -107.3 | 7.5 | 168.6 | -67.2 | -92 | 0 | 0 | 0 | 112.1 | D355 Y358 | F352-D355 WeakPolarHBondContact O-CB 3.48Å; F352-D355 PolarHBondContact O-N 3.12Å; F352-Y358 HydrophobicContact CB-CD2 3.69Å; F352-Y358 HydrophobicContact CB-CE2 4.49Å; F352-Y358 HydrophobicContact CB-CG 3.81Å; F352-Y358 HydrophobicContact CD1-CD2 4.19Å; F352-Y358 HydrophobicContact CD1-CE2 4.17Å; F352-Y358 HydrophobicContact CG-CD2 4.1Å; F352-Y358 HydrophobicContact CG-CG 4.18Å |
| 353 | A | 93.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 103.6 Ų | 103.6 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | 141.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S351 V359 | S351-A353 WeakPolarHBondContact OG-CB 3.18Å; S351-A353 PolarHBondContact OG-N 3.24Å; S351-A353 VanDerWaalsContact OG-N 3.16Å; A353-V359 HydrophobicContact CB-CG2 3.65Å |
| 354 | P | 93.2 | Very high | 89.7 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 79% | 0.792 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -98.1 | 24 | 9.1 | 39.2 | -36.7 | 0 | 0 | 0 | 115.3 | P356 | P354-P356 WeakPolarHBondContact O-CD 3.29Å; P354-P356 VanDerWaalsContact O-N 3.17Å |
| 355 | D | 94.9 | Very high | 88.1 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 25% | 0.251 | 60% | 0.597 | S | S | . | * | | | trans | -62 | 117.5 | -177 | -175.3 | -18.6 | 0 | 0 | 0 | 111.1 | F352 K357 Y358 V359 | F352-D355 WeakPolarHBondContact O-CB 3.48Å; F352-D355 PolarHBondContact O-N 3.12Å; D355-K357 PolarHBondContact O-N 3.28Å; D355-K357 VanDerWaalsContact O-N 3.08Å; D355-K357 WeakPolarHBondContact OD1-CB 3.43Å; D355-K357 VanDerWaalsContact OD1-CG 3.25Å; D355-K357 WeakPolarHBondContact OD1-CG 3.45Å; D355-K357 PolarHBondContact OD1-N 3.08Å; D355-K357 IonicContact OD1-NZ 2.73Å; D355-K357 IonicContact OD2-NZ 2.77Å; D355-K357 PolarHBondContact OD2-NZ 3.3Å; D355-Y358 HydrophobicContact CB-CD2 4.06Å; D355-Y358 PolarHBondContact O-N 3Å; D355-V359 PolarHBondContact O-N 2.98Å |
| 356 | P | 91 | Very high | 86.3 | Confident | 100 Ų | 100 | 107 Ų | 107 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -6.3 | -176.5 | 29.6 | -37.2 | 0 | 0 | 0 | 114.4 | P354 Y358 | P354-P356 WeakPolarHBondContact O-CD 3.29Å; P354-P356 VanDerWaalsContact O-N 3.17Å; P356-Y358 VanDerWaalsContact C-N 3.29Å |
| 357 | K | 94.5 | Very high | 84.5 | Confident | 163 Ų | 163 | 108.3 Ų | 108.3 | 71% | 0.709 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -30.5 | 167.5 | -62.7 | 174.8 | -149.6 | 118.7 | 0 | 112.6 | D355 | D355-K357 PolarHBondContact O-N 3.28Å; D355-K357 VanDerWaalsContact O-N 3.08Å; D355-K357 WeakPolarHBondContact OD1-CB 3.43Å; D355-K357 VanDerWaalsContact OD1-CG 3.25Å; D355-K357 WeakPolarHBondContact OD1-CG 3.45Å; D355-K357 PolarHBondContact OD1-N 3.08Å; D355-K357 IonicContact OD1-NZ 2.73Å; D355-K357 IonicContact OD2-NZ 2.77Å; D355-K357 PolarHBondContact OD2-NZ 3.3Å |
| 358 | Y | 94.2 | Very high | 82.5 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -28.3 | -175 | -54.6 | -75.4 | 0 | 0 | 0 | 112 | F352 D355 P356 | F352-Y358 HydrophobicContact CB-CD2 3.69Å; F352-Y358 HydrophobicContact CB-CE2 4.49Å; F352-Y358 HydrophobicContact CB-CG 3.81Å; F352-Y358 HydrophobicContact CD1-CD2 4.19Å; F352-Y358 HydrophobicContact CD1-CE2 4.17Å; F352-Y358 HydrophobicContact CG-CD2 4.1Å; F352-Y358 HydrophobicContact CG-CG 4.18Å; D355-Y358 HydrophobicContact CB-CD2 4.06Å; D355-Y358 PolarHBondContact O-N 3Å; P356-Y358 VanDerWaalsContact C-N 3.29Å |
| 359 | V | 93.3 | Very high | 80.5 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 35% | 0.352 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -89.6 | 110.8 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | A353 D355 S361 | A353-V359 HydrophobicContact CB-CG2 3.65Å; D355-V359 PolarHBondContact O-N 2.98Å; V359-S361 PolarHBondContact O-N 3.28Å; V359-S361 VanDerWaalsContact O-N 3.08Å |
| 360 | S | 87.7 | Confident | 78.4 | Confident | 74 Ų | 74 | 112.4 Ų | 112.4 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | | | trans | -68 | 104.8 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | K362 A363 | S360-K362 PolarHBondContact O-N 3.22Å; S360-A363 WeakPolarHBondContact O-CB 3.38Å; S360-A363 PolarHBondContact O-N 3.13Å |
| 361 | S | 79.7 | Confident | 76.4 | Confident | 87 Ų | 87 | 109.6 Ų | 109.6 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.5 | -27.3 | 176.9 | -33 | 0 | 0 | 0 | 0 | 112.9 | V359 A363 | V359-S361 PolarHBondContact O-N 3.28Å; V359-S361 VanDerWaalsContact O-N 3.08Å; S361-A363 VanDerWaalsContact C-N 3.3Å; S361-A363 PolarHBondContact O-N 3.03Å |
| 362 | K | 71.9 | Confident | 74.4 | Confident | 163 Ų | 163 | 106.2 Ų | 106.2 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.3 | -18 | 177.7 | -64.4 | 179.4 | -179.4 | 175.7 | 0 | 113.4 | S360 R366 | S360-K362 PolarHBondContact O-N 3.22Å; K362-R366 WeakPolarHBondContact O-CG 3.18Å |
| 363 | A | 67.1 | Low | 72.4 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.5 | -50.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S360 S361 Q365 R366 Q367 | S360-A363 WeakPolarHBondContact O-CB 3.38Å; S360-A363 PolarHBondContact O-N 3.13Å; S361-A363 VanDerWaalsContact C-N 3.3Å; S361-A363 PolarHBondContact O-N 3.03Å; A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.76Å; A363-R366 PolarHBondContact O-N 3.28Å; A363-Q367 PolarHBondContact O-N 3.11Å |
| 364 | L | 60.4 | Low | 70.6 | Confident | 120 Ų | 120 | 107.8 Ų | 107.8 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.1 | -37.3 | 179.1 | -174.7 | 65.6 | 0 | 0 | 0 | 112.4 | R366 N368 | L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.24Å; L364-N368 PolarHBondContact O-ND2 3.14Å |
| 365 | Q | 60.4 | Low | 69.3 | Low | 154 Ų | 154 | 108.3 Ų | 108.3 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.9 | -26.5 | 177.2 | -166.3 | 170.8 | 14.1 | 0 | 0 | 113.2 | A363 | A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.76Å |
| 366 | R | 58.6 | Low | 68.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 42% | 0.423 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.5 | -40.5 | 180 | -82.4 | 173.9 | 167.3 | -141.2 | 2.5 | 113 | K362 A363 L364 N368 S369 S372 K375 | K362-R366 WeakPolarHBondContact O-CG 3.18Å; A363-R366 PolarHBondContact O-N 3.28Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.24Å; R366-N368 PolarHBondContact O-N 2.84Å; R366-S369 PolarHBondContact O-N 3.14Å; R366-S369 PolarHBondContact O-OG 3.01Å; R366-S372 PolarHBondContact O-OG 3Å; R366-K375 PolarHBondContact NH1-O 2.76Å |
| 367 | Q | 57.9 | Low | 68.4 | Low | 161 Ų | 161 | 109.3 Ų | 109.3 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.6 | -25.9 | -179 | -67.1 | -173.7 | -75.9 | 0 | 0 | 113.3 | A363 S369 | A363-Q367 PolarHBondContact O-N 3.11Å; Q367-S369 VanDerWaalsContact C-N 3.31Å; Q367-S369 PolarHBondContact O-N 3.01Å |
| 368 | N | 54.6 | Low | 68.2 | Low | 139 Ų | 139 | 102 Ų | 102 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 18.3 | 178.1 | -61.5 | -74.5 | 0 | 0 | 0 | 113.4 | L364 R366 | L364-N368 PolarHBondContact O-ND2 3.14Å; R366-N368 PolarHBondContact O-N 2.84Å |
| 369 | S | 55.6 | Low | 68.2 | Low | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | | | trans | -132.5 | 110.4 | 179.8 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | R366 Q367 G371 S372 | R366-S369 PolarHBondContact O-N 3.14Å; R366-S369 PolarHBondContact O-OG 3.01Å; Q367-S369 VanDerWaalsContact C-N 3.31Å; Q367-S369 PolarHBondContact O-N 3.01Å; S369-G371 PolarHBondContact O-N 3.26Å; S369-G371 VanDerWaalsContact O-N 3.11Å; S369-S372 VanDerWaalsContact O-CB 3.31Å; S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.41Å; S369-S372 VanDerWaalsContact O-N 3.11Å; S369-S372 PolarHBondContact O-OG 3.07Å; S369-S372 WeakPolarHBondContact OG-CB 3.26Å |
| 370 | E | 51.5 | Low | 68.2 | Low | 208 Ų | 208 | 98.9 Ų | 98.9 | 97% | 0.972 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.1 | -171.7 | -63.7 | 176.8 | 117.1 | 0 | 0 | 113.8 | S372 | E370-S372 PolarHBondContact O-N 3.21Š|
| 371 | G | 52.8 | Low | 68.6 | Low | 68 Ų | 68 | 98.1 Ų | 98.1 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 13.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S369 | S369-G371 PolarHBondContact O-N 3.26Å; S369-G371 VanDerWaalsContact O-N 3.11Å |
| 372 | S | 53.1 | Low | 69.4 | Low | 25 Ų | 25 | 95.9 Ų | 95.9 | 18% | 0.175 | 52% | 0.522 | C | S | . | . | | | trans | -98.2 | -10.8 | -170.5 | 69.5 | 0 | 0 | 0 | 0 | 116.4 | R366 S369 E370 N374 K375 | R366-S372 PolarHBondContact O-OG 3Å; S369-S372 VanDerWaalsContact O-CB 3.31Å; S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.41Å; S369-S372 VanDerWaalsContact O-N 3.11Å; S369-S372 PolarHBondContact O-OG 3.07Å; S369-S372 WeakPolarHBondContact OG-CB 3.26Å; E370-S372 PolarHBondContact O-N 3.21Å; S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 2.86Å; S372-K375 WeakPolarHBondContact O-CB 3.37Å; S372-K375 PolarHBondContact O-N 3.47Å |
| 373 | A | 54.3 | Low | 70.5 | Confident | 73 Ų | 73 | 93 Ų | 93 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -54.3 | -43.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K375 V376 | A373-K375 PolarHBondContact O-N 3.48Å; A373-V376 PolarHBondContact O-N 3.46Å |
| 374 | N | 56.3 | Low | 71.9 | Confident | 136 Ų | 136 | 96.1 Ų | 96.1 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -70.8 | 16.9 | 178.4 | -56.3 | -3.7 | 0 | 0 | 0 | 113.9 | S372 | S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 2.86Å |
| 375 | K | 66.2 | Low | 73.5 | Confident | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -128.9 | 12.4 | -179.7 | -53.5 | -168.7 | -178.9 | -173 | 0 | 113.2 | R366 S372 A373 | R366-K375 PolarHBondContact NH1-O 2.76Å; S372-K375 WeakPolarHBondContact O-CB 3.37Å; S372-K375 PolarHBondContact O-N 3.47Å; A373-K375 PolarHBondContact O-N 3.48Å |
| 376 | V | 77.4 | Confident | 75.1 | Confident | 101 Ų | 101 | 94 Ų | 94 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -95.2 | 129.6 | 164.1 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | A373 | A373-V376 PolarHBondContact O-N 3.46Š|
| 377 | P | 88.6 | Confident | 76.8 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 44% | 0.435 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 143.4 | 180 | 30 | -35.9 | 0 | 0 | 0 | 110.5 | I379 L396 | P377-I379 PolarHBondContact O-N 3.02Å; P377-L396 HydrophobicContact CB-CD1 3.77Å; P377-L396 HydrophobicContact CG-CD1 4.12Å |
| 378 | C | 91.1 | Very high | 78.7 | Confident | 11 Ų | 11 | 94.1 Ų | 94.1 | 7% | 0.074 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116 | -179 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L397 R400 | C378-L397 HydrophobicContact CB-CB 4.2Å; C378-L397 PolarHBondContact N-O 3.16Å; C378-L397 PolarHBondContact O-N 3.29Å; C378-R400 HydrophobicContact CB-CB 3.99Å |
| 379 | I | 93.9 | Very high | 80.7 | Confident | 106 Ų | 106 | 91.3 Ų | 91.3 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.7 | 179.2 | -57.5 | 175.5 | 0 | 0 | 0 | 108.3 | P377 Y394 Y395 L396 | P377-I379 PolarHBondContact O-N 3.02Å; I379-Y394 HydrophobicContact CG2-CD1 3.97Å; I379-Y394 HydrophobicContact CG2-CG 3.95Å; I379-Y395 CarbonylContact C-O 3.6Å; I379-Y395 WeakPolarHBondContact CA-O 3.27Å; I379-L396 HydrophobicContact CD1-CD1 4.43Å; I379-L396 HydrophobicContact CG1-CD1 3.75Å |
| 380 | L | 93.7 | Very high | 82.7 | Confident | 35 Ų | 35 | 89.8 Ų | 89.8 | 18% | 0.183 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.9 | -178.3 | -57.5 | 175.4 | 0 | 0 | 0 | 111.5 | Y394 Y395 L397 L404 | L380-Y394 CarbonylContact O-C 3.5Å; L380-Y394 VanDerWaalsContact O-CA 3.26Å; L380-Y394 WeakPolarHBondContact O-CA 3.49Å; L380-Y394 WeakPolarHBondContact O-CB 3.27Å; L380-Y395 PolarHBondContact N-O 3.06Å; L380-Y395 PolarHBondContact O-N 3Å; L380-L397 HydrophobicContact CD1-CD1 3.74Å; L380-L404 HydrophobicContact CD1-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.69Å |
| 381 | P | 95.8 | Very high | 84.8 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 150.5 | 174.8 | 30.8 | -35.8 | 0 | 0 | 0 | 111.4 | I383 Y394 | P381-I383 HydrophobicContact CB-CD1 4.43Å; P381-I383 HydrophobicContact CB-CG1 4.25Å; P381-I383 HydrophobicContact CG-CD1 3.82Å; P381-I383 HydrophobicContact CG-CG1 4.14Å; P381-Y394 HydrophobicContact CB-CD1 4.3Å; P381-Y394 HydrophobicContact CB-CE1 4.27Å |
| 382 | I | 96 | Very high | 86.9 | Confident | 40 Ų | 40 | 85.7 Ų | 85.7 | 21% | 0.205 | 49% | 0.487 | C | S | . | . | | | trans | -83.6 | 117.6 | 170.9 | -48.9 | -179.4 | 0 | 0 | 0 | 108.2 | K388 V389 H393 Y395 | I382-K388 WeakPolarHBondContact O-CA 3.43Å; I382-V389 HydrophobicContact CB-CG2 4.27Å; I382-V389 HydrophobicContact CG2-CG2 3.64Å; I382-V389 PolarHBondContact O-N 2.81Å; I382-H393 HydrophobicContact CD1-CB 3.7Å; I382-Y395 HydrophobicContact CB-CE2 4.43Å; I382-Y395 HydrophobicContact CG1-CD2 4.11Å; I382-Y395 HydrophobicContact CG1-CE2 3.85Å; I382-Y395 HydrophobicContact CG2-CE2 4.27Å |
| 383 | I | 95.6 | Very high | 89 | Confident | 101 Ų | 101 | 90.3 Ų | 90.3 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.6 | -175.3 | -62.7 | 177.9 | 0 | 0 | 0 | 109.2 | P381 K387 | P381-I383 HydrophobicContact CB-CD1 4.43Å; P381-I383 HydrophobicContact CB-CG1 4.25Å; P381-I383 HydrophobicContact CG-CD1 3.82Å; P381-I383 HydrophobicContact CG-CG1 4.14Å; I383-K387 CarbonylContact C-O 3.56Å; I383-K387 VanDerWaalsContact CA-O 3.26Å; I383-K387 WeakPolarHBondContact CA-O 3.41Å; I383-K387 WeakPolarHBondContact CG2-O 3.49Å |
| 384 | E | 96.3 | Very high | 91.1 | Very high | 120 Ų | 120 | 91.9 Ų | 91.9 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.1 | 174.6 | -154.1 | 177.8 | 172.5 | 0 | 0 | 109 | G386 K387 V389 | E384-G386 PolarHBondContact O-N 3.41Å; E384-K387 PolarHBondContact N-O 2.93Å; E384-K387 PolarHBondContact O-N 3.06Å; E384-K387 VanDerWaalsContact O-O 3.05Å; E384-V389 HydrophobicContact CB-CB 4.45Å; E384-V389 HydrophobicContact CB-CG1 3.56Å; E384-V389 HydrophobicContact CB-CG2 4.04Å |
| 385 | N | 94.8 | Very high | 93 | Very high | 158 Ų | 158 | 92 Ų | 92 | 85% | 0.845 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 23.4 | -174.4 | -49.6 | 100.6 | 0 | 0 | 0 | 115.1 | K387 | N385-K387 VanDerWaalsContact C-N 3.34Š|
| 386 | G | 93.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 91.5 Ų | 91.5 | 73% | 0.732 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -0.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E384 | E384-G386 PolarHBondContact O-N 3.41Š|
| 387 | K | 94.2 | Very high | 95.1 | Very high | 164 Ų | 164 | 89.3 Ų | 89.3 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146.9 | 175.1 | -64.4 | -172.8 | 178.1 | -173.9 | 0 | 111.2 | I383 E384 N385 V389 | I383-K387 CarbonylContact C-O 3.56Å; I383-K387 VanDerWaalsContact CA-O 3.26Å; I383-K387 WeakPolarHBondContact CA-O 3.41Å; I383-K387 WeakPolarHBondContact CG2-O 3.49Å; E384-K387 PolarHBondContact N-O 2.93Å; E384-K387 PolarHBondContact O-N 3.06Å; E384-K387 VanDerWaalsContact O-O 3.05Å; N385-K387 VanDerWaalsContact C-N 3.34Å; K387-V389 PolarHBondContact O-N 2.76Å |
| 388 | K | 96.3 | Very high | 95.1 | Very high | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 106.8 | 175.3 | -174.4 | -175.2 | -175.3 | -174.6 | 0 | 109.5 | I382 S390 Y394 | I382-K388 WeakPolarHBondContact O-CA 3.43Å; K388-S390 WeakPolarHBondContact CE-O 3.41Å; K388-S390 WeakPolarHBondContact CG-O 3.34Å; K388-Y394 PolarHBondContact NZ-OH 2.98Å |
| 389 | V | 97.2 | Very high | 95 | Very high | 79 Ų | 79 | 98 Ų | 98 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | | | trans | -87.3 | -11.5 | -175.8 | -68.3 | 0 | 0 | 0 | 0 | 114.3 | I382 E384 K387 | I382-V389 HydrophobicContact CB-CG2 4.27Å; I382-V389 HydrophobicContact CG2-CG2 3.64Å; I382-V389 PolarHBondContact O-N 2.81Å; E384-V389 HydrophobicContact CB-CB 4.45Å; E384-V389 HydrophobicContact CB-CG1 3.56Å; E384-V389 HydrophobicContact CB-CG2 4.04Å; K387-V389 PolarHBondContact O-N 2.76Å |
| 390 | S | 97.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 97 Ų | 97 | 14% | 0.14 | 51% | 0.51 | C | S | . | . | | | trans | -133.3 | 122.3 | 167.8 | -164 | 0 | 0 | 0 | 0 | 111.1 | K388 T392 H393 | K388-S390 WeakPolarHBondContact CE-O 3.41Å; K388-S390 WeakPolarHBondContact CG-O 3.34Å; S390-T392 PolarHBondContact OG-OG1 3.11Å; S390-H393 WeakPolarHBondContact OG-CB 3.3Å; S390-H393 PolarHBondContact OG-N 3.46Å; S390-H393 VanDerWaalsContact OG-N 3.08Å; S390-H393 PolarHBondContact OG-ND1 3.11Å |
| 391 | S | 96.1 | Very high | 94.4 | Very high | 89 Ų | 89 | 96.7 Ų | 96.7 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -73.4 | -31 | 170.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | Y394 | S391-Y394 PolarHBondContact O-OH 2.91Š|
| 392 | T | 97.3 | Very high | 94 | Very high | 102 Ų | 102 | 98.8 Ų | 98.8 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -99.1 | -32.5 | -169.7 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | S390 | S390-T392 PolarHBondContact OG-OG1 3.11Š|
| 393 | H | 96.9 | Very high | 93.6 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | | | trans | -103.7 | 144.2 | -175.3 | -63.1 | 71.1 | 0 | 0 | 0 | 112.2 | I382 S390 | I382-H393 HydrophobicContact CD1-CB 3.7Å; S390-H393 WeakPolarHBondContact OG-CB 3.3Å; S390-H393 PolarHBondContact OG-N 3.46Å; S390-H393 VanDerWaalsContact OG-N 3.08Å; S390-H393 PolarHBondContact OG-ND1 3.11Å |
| 394 | Y | 97.7 | Very high | 93.3 | Very high | 105 Ų | 105 | 99 Ų | 99 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 146.9 | -178 | -60.9 | -98.9 | 0 | 0 | 0 | 109 | I379 L380 P381 K388 S391 | I379-Y394 HydrophobicContact CG2-CD1 3.97Å; I379-Y394 HydrophobicContact CG2-CG 3.95Å; L380-Y394 CarbonylContact O-C 3.5Å; L380-Y394 VanDerWaalsContact O-CA 3.26Å; L380-Y394 WeakPolarHBondContact O-CA 3.49Å; L380-Y394 WeakPolarHBondContact O-CB 3.27Å; P381-Y394 HydrophobicContact CB-CD1 4.3Å; P381-Y394 HydrophobicContact CB-CE1 4.27Å; K388-Y394 PolarHBondContact NZ-OH 2.98Å; S391-Y394 PolarHBondContact O-OH 2.91Å |
| 395 | Y | 95.7 | Very high | 92.8 | Very high | 138 Ų | 138 | 96.8 Ų | 96.8 | 54% | 0.541 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.4 | 168.1 | -66.1 | -73.5 | 0 | 0 | 0 | 109.8 | I379 L380 I382 | I379-Y395 CarbonylContact C-O 3.6Å; I379-Y395 WeakPolarHBondContact CA-O 3.27Å; L380-Y395 PolarHBondContact N-O 3.06Å; L380-Y395 PolarHBondContact O-N 3Å; I382-Y395 HydrophobicContact CB-CE2 4.43Å; I382-Y395 HydrophobicContact CG1-CD2 4.11Å; I382-Y395 HydrophobicContact CG1-CE2 3.85Å; I382-Y395 HydrophobicContact CG2-CE2 4.27Å |
| 396 | L | 96.1 | Very high | 92.5 | Very high | 122 Ų | 122 | 95 Ų | 95 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.5 | 176.7 | -175.4 | 70.5 | 0 | 0 | 0 | 109.2 | P377 I379 | P377-L396 HydrophobicContact CB-CD1 3.77Å; P377-L396 HydrophobicContact CG-CD1 4.12Å; I379-L396 HydrophobicContact CD1-CD1 4.43Å; I379-L396 HydrophobicContact CG1-CD1 3.75Å |
| 397 | L | 93 | Very high | 92.1 | Very high | 56 Ų | 56 | 96.6 Ų | 96.6 | 29% | 0.293 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.9 | -179.4 | -55 | 180 | 0 | 0 | 0 | 110.7 | C378 L380 E399 P401 | C378-L397 HydrophobicContact CB-CB 4.2Å; C378-L397 PolarHBondContact N-O 3.16Å; C378-L397 PolarHBondContact O-N 3.29Å; L380-L397 HydrophobicContact CD1-CD1 3.74Å; L397-E399 VanDerWaalsContact C-N 3.27Å; L397-E399 WeakPolarHBondContact CB-O 3.48Å; L397-E399 PolarHBondContact O-N 2.92Å; L397-P401 HydrophobicContact CD1-CG 3.6Å |
| 398 | P | 88.9 | Confident | 91.7 | Very high | 123 Ų | 123 | 92 Ų | 92 | 80% | 0.799 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -63.1 | -31.8 | 179.5 | -23.8 | 34.2 | 0 | 0 | 0 | 114.1 | | |
| 399 | E | 88 | Confident | 91.2 | Very high | 136 Ų | 136 | 92.5 Ų | 92.5 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -130.9 | 153.2 | 179.5 | -178.5 | 169.1 | -157.8 | 0 | 0 | 108.8 | L397 P401 | L397-E399 VanDerWaalsContact C-N 3.27Å; L397-E399 WeakPolarHBondContact CB-O 3.48Å; L397-E399 PolarHBondContact O-N 2.92Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å |
| 400 | R | 86.8 | Confident | 90.6 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 33% | 0.328 | 46% | 0.46 | S | S | . | . | | | trans | -80.6 | 121.6 | 176.4 | 178.7 | 170.1 | 165.4 | 98.1 | -6.7 | 109.7 | C378 P402 L404 D405 E408 | C378-R400 HydrophobicContact CB-CB 3.99Å; R400-P402 WeakPolarHBondContact O-CD 3.24Å; R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 PolarHBondContact NH2-O 3.17Å; R400-D405 IonicContact CZ-OD1 3.68Å; R400-D405 IonicContact NE-OD1 2.73Å; R400-D405 PolarHBondContact NE-OD1 2.84Å; R400-D405 IonicContact NH2-OD1 3.5Å; R400-D405 PolarHBondContact NH2-OD1 2.8Å; R400-E408 IonicContact NH2-OE2 3.14Å |
| 401 | P | 88.8 | Confident | 89.9 | Confident | 28 Ų | 28 | 99 Ų | 99 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | | | trans | -60.4 | 126.9 | 177.5 | -26.5 | 35 | 0 | 0 | 0 | 112.3 | L397 E399 Y403 L404 | L397-P401 HydrophobicContact CD1-CG 3.6Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å; P401-Y403 HydrophobicContact CB-CD1 3.5Å; P401-Y403 VanDerWaalsContact CB-CD1 3.5Å; P401-Y403 HydrophobicContact CB-CE1 3.31Å; P401-Y403 HydrophobicContact CB-CG 4.49Å; P401-Y403 HydrophobicContact CG-CE1 4.03Å; P401-Y403 PolarHBondContact O-N 3.45Å; P401-L404 HydrophobicContact CB-CG 4.49Å; P401-L404 HydrophobicContact CG-CD1 4.4Å; P401-L404 WeakPolarHBondContact O-CB 3.49Å; P401-L404 PolarHBondContact O-N 3.41Å |
| 402 | P | 87.5 | Confident | 89.3 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 66% | 0.662 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.9 | -175.9 | -28.5 | 35.6 | 0 | 0 | 0 | 115.2 | R400 L404 D405 | R400-P402 WeakPolarHBondContact O-CD 3.24Å; P402-L404 PolarHBondContact O-N 3.17Å; P402-D405 WeakPolarHBondContact CA-OD2 3.46Å; P402-D405 PolarHBondContact O-N 3Å |
| 403 | Y | 87.8 | Confident | 88.6 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.1 | 174.7 | 80.6 | -99.4 | 0 | 0 | 0 | 113.3 | P401 K406 Y407 | P401-Y403 HydrophobicContact CB-CD1 3.5Å; P401-Y403 VanDerWaalsContact CB-CD1 3.5Å; P401-Y403 HydrophobicContact CB-CE1 3.31Å; P401-Y403 HydrophobicContact CB-CG 4.49Å; P401-Y403 HydrophobicContact CG-CE1 4.03Å; P401-Y403 PolarHBondContact O-N 3.45Å; Y403-K406 WeakPolarHBondContact O-CD 3.33Å; Y403-K406 WeakPolarHBondContact O-CE 3.32Å; Y403-K406 VanDerWaalsContact O-CG 3.29Å; Y403-K406 WeakPolarHBondContact O-CG 3.3Å; Y403-Y407 HydrophobicContact CD2-CE2 4.32Å; Y403-Y407 WeakPolarHBondContact O-CD2 3.29Å; Y403-Y407 WeakPolarHBondContact O-CE2 3.45Å |
| 404 | L | 88.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 98 Ų | 98 | 9% | 0.094 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -26.5 | 175.8 | -65.4 | 178 | 0 | 0 | 0 | 112.5 | L380 R400 P401 P402 K406 Y407 E408 | L380-L404 HydrophobicContact CD1-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.69Å; R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 PolarHBondContact NH2-O 3.17Å; P401-L404 HydrophobicContact CB-CG 4.49Å; P401-L404 HydrophobicContact CG-CD1 4.4Å; P401-L404 WeakPolarHBondContact O-CB 3.49Å; P401-L404 PolarHBondContact O-N 3.41Å; P402-L404 PolarHBondContact O-N 3.17Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 2.88Å; L404-Y407 CarbonylContact O-C 3.56Å; L404-Y407 WeakPolarHBondContact O-CA 3.36Å; L404-Y407 WeakPolarHBondContact O-CB 3.42Å; L404-Y407 PolarHBondContact O-N 3.49Å; L404-E408 PolarHBondContact O-N 3.49Å; L404-E408 VanDerWaalsContact O-N 3.13Å |
| 405 | D | 86.3 | Confident | 86.5 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | -176.2 | -54.7 | -27.5 | 0 | 0 | 0 | 111.2 | R400 P402 Y407 E408 | R400-D405 IonicContact CZ-OD1 3.68Å; R400-D405 IonicContact NE-OD1 2.73Å; R400-D405 PolarHBondContact NE-OD1 2.84Å; R400-D405 IonicContact NH2-OD1 3.5Å; R400-D405 PolarHBondContact NH2-OD1 2.8Å; P402-D405 WeakPolarHBondContact CA-OD2 3.46Å; P402-D405 PolarHBondContact O-N 3Å; D405-Y407 PolarHBondContact O-N 2.99Å; D405-Y407 VanDerWaalsContact O-N 3.14Å; D405-E408 VanDerWaalsContact O-CB 3.24Å; D405-E408 WeakPolarHBondContact O-CB 3.45Å; D405-E408 PolarHBondContact O-N 2.99Å |
| 406 | K | 89 | Confident | 85.5 | Confident | 121 Ų | 121 | 98.8 Ų | 98.8 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -18 | 172.4 | 84.1 | -158.9 | 180 | -179.1 | 0 | 113.8 | Y403 L404 | Y403-K406 WeakPolarHBondContact O-CD 3.33Å; Y403-K406 WeakPolarHBondContact O-CE 3.32Å; Y403-K406 VanDerWaalsContact O-CG 3.29Å; Y403-K406 WeakPolarHBondContact O-CG 3.3Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 2.88Å |
| 407 | Y | 85.1 | Confident | 83.8 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -101.1 | -9.9 | 175.4 | -60.8 | -64.5 | 0 | 0 | 0 | 113.2 | Y403 L404 D405 K409 F410 F411 | Y403-Y407 HydrophobicContact CD2-CE2 4.32Å; Y403-Y407 WeakPolarHBondContact O-CD2 3.29Å; Y403-Y407 WeakPolarHBondContact O-CE2 3.45Å; L404-Y407 CarbonylContact O-C 3.56Å; L404-Y407 WeakPolarHBondContact O-CA 3.36Å; L404-Y407 WeakPolarHBondContact O-CB 3.42Å; L404-Y407 PolarHBondContact O-N 3.49Å; D405-Y407 PolarHBondContact O-N 2.99Å; D405-Y407 VanDerWaalsContact O-N 3.14Å; Y407-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact O-N 3.14Å; Y407-F410 AromaticContact CD1-CD2 3.93Å; Y407-F410 HydrophobicContact CD1-CD2 3.93Å; Y407-F410 AromaticContact CD1-CE2 3.91Å; Y407-F410 HydrophobicContact CD1-CE2 3.91Å; Y407-F410 WeakPolarHBondContact O-CB 3.43Å; Y407-F410 PolarHBondContact O-N 2.92Å; Y407-F411 WeakPolarHBondContact O-CD2 3.34Å; Y407-F411 PolarHBondContact O-N 3.08Å |
| 408 | E | 85.5 | Confident | 82.1 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.3 | -36.8 | -177.4 | -169.1 | -177.2 | 115.1 | 0 | 0 | 113 | R400 L404 D405 F410 F411 R412 | R400-E408 IonicContact NH2-OE2 3.14Å; L404-E408 PolarHBondContact O-N 3.49Å; L404-E408 VanDerWaalsContact O-N 3.13Å; D405-E408 VanDerWaalsContact O-CB 3.24Å; D405-E408 WeakPolarHBondContact O-CB 3.45Å; D405-E408 PolarHBondContact O-N 2.99Å; E408-F410 VanDerWaalsContact C-N 3.28Å; E408-F410 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 2.88Å; E408-F411 VanDerWaalsContact O-N 3.15Å; E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 3.47Å; E408-R412 IonicContact OE1-NH1 2.7Å; E408-R412 PolarHBondContact OE1-NH1 3.24Å; E408-R412 IonicContact OE1-NH2 3.4Å; E408-R412 PolarHBondContact OE1-NH2 2.87Å |
| 409 | K | 86.6 | Confident | 80.4 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -53.5 | -40.9 | 173.8 | 57.8 | 173.4 | -175.2 | 163.7 | 0 | 113.4 | Y407 R412 E413 | Y407-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact O-N 3.14Å; K409-R412 PolarHBondContact O-N 2.79Å; K409-E413 VanDerWaalsContact O-CB 3.27Å; K409-E413 WeakPolarHBondContact O-CB 3.31Å; K409-E413 PolarHBondContact O-N 3.42Å |
| 410 | F | 84.8 | Confident | 78.7 | Confident | 102 Ų | 102 | 92.3 Ų | 92.3 | 45% | 0.447 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.1 | -30 | -178.8 | -57.8 | -63.4 | 0 | 0 | 0 | 111.9 | Y407 E408 A414 | Y407-F410 AromaticContact CD1-CD2 3.93Å; Y407-F410 HydrophobicContact CD1-CD2 3.93Å; Y407-F410 AromaticContact CD1-CE2 3.91Å; Y407-F410 HydrophobicContact CD1-CE2 3.91Å; Y407-F410 WeakPolarHBondContact O-CB 3.43Å; Y407-F410 PolarHBondContact O-N 2.92Å; E408-F410 VanDerWaalsContact C-N 3.28Å; E408-F410 PolarHBondContact O-N 3.08Å; F410-A414 VanDerWaalsContact O-CB 3.27Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.86Å |
| 411 | F | 81.8 | Confident | 77 | Confident | 134 Ų | 134 | 91.9 Ų | 91.9 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.6 | -43.3 | 173.1 | -67.4 | -74.2 | 0 | 0 | 0 | 111.1 | Y407 E408 E415 | Y407-F411 WeakPolarHBondContact O-CD2 3.34Å; Y407-F411 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 2.88Å; E408-F411 VanDerWaalsContact O-N 3.15Å; F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.18Å |
| 412 | R | 83.6 | Confident | 75 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 46% | 0.464 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 171.4 | -96.7 | -164.7 | -69.1 | -78.3 | -2.9 | 112.5 | E408 K409 A414 E415 E416 | E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 3.47Å; E408-R412 IonicContact OE1-NH1 2.7Å; E408-R412 PolarHBondContact OE1-NH1 3.24Å; E408-R412 IonicContact OE1-NH2 3.4Å; E408-R412 PolarHBondContact OE1-NH2 2.87Å; K409-R412 PolarHBondContact O-N 2.79Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.07Å; R412-E415 PolarHBondContact O-N 2.91Å; R412-E415 VanDerWaalsContact O-N 3.14Å; R412-E416 WeakPolarHBondContact O-CB 3.36Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.45Å |
| 413 | E | 82 | Confident | 72.8 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 179.3 | -175.9 | 177.6 | -174.8 | 0 | 0 | 112.2 | K409 T417 | K409-E413 VanDerWaalsContact O-CB 3.27Å; K409-E413 WeakPolarHBondContact O-CB 3.31Å; K409-E413 PolarHBondContact O-N 3.42Å; E413-T417 VanDerWaalsContact O-CB 3.3Å; E413-T417 WeakPolarHBondContact O-CB 3.42Å; E413-T417 PolarHBondContact O-N 2.75Å; E413-T417 PolarHBondContact O-OG1 2.73Å |
| 414 | A | 77.3 | Confident | 70.3 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F410 R412 T417 T418 | F410-A414 VanDerWaalsContact O-CB 3.27Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.86Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.07Å; A414-T417 PolarHBondContact O-N 2.96Å; A414-T418 WeakPolarHBondContact O-CG2 3.25Å; A414-T418 PolarHBondContact O-N 3.11Å; A414-T418 PolarHBondContact O-OG1 3.49Å |
| 415 | E | 74.4 | Confident | 67.7 | Low | 136 Ų | 136 | 106.2 Ų | 106.2 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -47.4 | 176.9 | -170.4 | 170 | -166.4 | 0 | 0 | 111 | F411 R412 T417 T418 A419 | F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.18Å; R412-E415 PolarHBondContact O-N 2.91Å; R412-E415 VanDerWaalsContact O-N 3.14Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 3.3Å; E415-T418 PolarHBondContact O-N 3.45Å; E415-T418 VanDerWaalsContact O-N 3.16Å; E415-T418 PolarHBondContact O-OG1 2.69Å; E415-A419 WeakPolarHBondContact O-CB 3.33Å; E415-A419 PolarHBondContact O-N 2.78Å |
| 416 | E | 73.3 | Confident | 65.2 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.2 | -36.8 | 174.7 | -71.6 | 170 | -151 | 0 | 0 | 112.5 | R412 S420 | R412-E416 WeakPolarHBondContact O-CB 3.36Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.45Å; E416-S420 VanDerWaalsContact O-CB 3.3Å; E416-S420 WeakPolarHBondContact O-CB 3.47Å; E416-S420 PolarHBondContact O-N 3.34Å; E416-S420 PolarHBondContact O-OG 3.05Å |
| 417 | T | 61 | Low | 62.6 | Low | 86 Ų | 86 | 109.8 Ų | 109.8 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.3 | -43.3 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E413 A414 E415 S420 A421 | E413-T417 VanDerWaalsContact O-CB 3.3Å; E413-T417 WeakPolarHBondContact O-CB 3.42Å; E413-T417 PolarHBondContact O-N 2.75Å; E413-T417 PolarHBondContact O-OG1 2.73Å; A414-T417 PolarHBondContact O-N 2.96Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 3.3Å; T417-S420 PolarHBondContact O-OG 3.19Å; T417-A421 WeakPolarHBondContact O-CB 3.38Å; T417-A421 PolarHBondContact O-N 3.5Å; T417-A421 VanDerWaalsContact O-N 3.12Å |
| 418 | T | 56.9 | Low | 60.5 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.8 | -34.4 | 175.8 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | A414 E415 Q422 | A414-T418 WeakPolarHBondContact O-CG2 3.25Å; A414-T418 PolarHBondContact O-N 3.11Å; A414-T418 PolarHBondContact O-OG1 3.49Å; E415-T418 PolarHBondContact O-N 3.45Å; E415-T418 VanDerWaalsContact O-N 3.16Å; E415-T418 PolarHBondContact O-OG1 2.69Å; T418-Q422 PolarHBondContact O-N 3Å |
| 419 | A | 54.6 | Low | 57.8 | Low | 43 Ų | 43 | 113.3 Ų | 113.3 | 36% | 0.355 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.7 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E415 A421 Q422 I423 | E415-A419 WeakPolarHBondContact O-CB 3.33Å; E415-A419 PolarHBondContact O-N 2.78Å; A419-A421 VanDerWaalsContact C-N 3.28Å; A419-A421 PolarHBondContact O-N 3.19Å; A419-Q422 CarbonylContact O-C 3.57Å; A419-Q422 PolarHBondContact O-N 3.34Å; A419-Q422 VanDerWaalsContact O-N 3.07Å; A419-I423 WeakPolarHBondContact O-CG1 3.22Å; A419-I423 PolarHBondContact O-N 3.32Å |
| 420 | S | 51.8 | Low | 55.2 | Low | 81 Ų | 81 | 113.8 Ų | 113.8 | 57% | 0.566 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -28.4 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | E416 T417 Q422 | E416-S420 VanDerWaalsContact O-CB 3.3Å; E416-S420 WeakPolarHBondContact O-CB 3.47Å; E416-S420 PolarHBondContact O-N 3.34Å; E416-S420 PolarHBondContact O-OG 3.05Å; T417-S420 PolarHBondContact O-OG 3.19Å; S420-Q422 VanDerWaalsContact C-N 3.33Å |
| 421 | A | 50.8 | Low | 52.5 | Low | 79 Ų | 79 | 112.4 Ų | 112.4 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.6 | -25.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.8 | T417 A419 | T417-A421 WeakPolarHBondContact O-CB 3.38Å; T417-A421 PolarHBondContact O-N 3.5Å; T417-A421 VanDerWaalsContact O-N 3.12Å; A419-A421 VanDerWaalsContact C-N 3.28Å; A419-A421 PolarHBondContact O-N 3.19Å |
| 422 | Q | 46.4 | Very low | 50.3 | Low | 175 Ų | 175 | 114 Ų | 114 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -96.5 | -16.9 | 176.6 | -71.2 | -166.7 | -7.7 | 0 | 0 | 114.4 | T418 A419 S420 | T418-Q422 PolarHBondContact O-N 3Å; A419-Q422 CarbonylContact O-C 3.57Å; A419-Q422 PolarHBondContact O-N 3.34Å; A419-Q422 VanDerWaalsContact O-N 3.07Å; S420-Q422 VanDerWaalsContact C-N 3.33Å |
| 423 | I | 42.4 | Very low | 47.8 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 67% | 0.672 | 68% | 0.68 | S | S | * | * | | | trans | -108.4 | 64.4 | 173.7 | -48.4 | 174.9 | 0 | 0 | 0 | 109.5 | A419 P425 | A419-I423 WeakPolarHBondContact O-CG1 3.22Å; A419-I423 PolarHBondContact O-N 3.32Å; I423-P425 WeakPolarHBondContact O-CD 3.34Å |
| 424 | Q | 34.2 | Very low | 45.5 | Very low | 165 Ų | 165 | 114.3 Ų | 114.3 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | | | trans | -99.8 | 104.5 | 156.3 | -170.5 | 175.6 | 88.1 | 0 | 0 | 108.3 | L426 | Q424-L426 PolarHBondContact O-N 3.39Š|
| 425 | P | 34.9 | Very low | 43.2 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | | | trans | -62.4 | 125.2 | 170.8 | -18.2 | 31.6 | 0 | 0 | 0 | 108.9 | I423 P427 | I423-P425 WeakPolarHBondContact O-CD 3.34Å; P425-P427 VanDerWaalsContact O-CD 3.29Å; P425-P427 WeakPolarHBondContact O-CD 3.43Å; P425-P427 VanDerWaalsContact O-N 3.13Å |
| 426 | L | 32.5 | Very low | 41.2 | Very low | 163 Ų | 163 | 115.7 Ų | 115.7 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | | | trans | -55.9 | 115.6 | 174.2 | -119.7 | 160.2 | 0 | 0 | 0 | 108.8 | Q424 A428 | Q424-L426 PolarHBondContact O-N 3.39Å; L426-A428 PolarHBondContact O-N 3.16Å; L426-A428 VanDerWaalsContact O-N 3.07Å |
| 427 | P | 34.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | -69.3 | 111 | 178.8 | 27.3 | -32.7 | 0 | 0 | 0 | 108.6 | P425 D429 | P425-P427 VanDerWaalsContact O-CD 3.29Å; P425-P427 WeakPolarHBondContact O-CD 3.43Å; P425-P427 VanDerWaalsContact O-N 3.13Å; P427-D429 PolarHBondContact O-N 3.29Å; P427-D429 VanDerWaalsContact O-N 3.08Å |
| 428 | A | 40.6 | Very low | 38.4 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | | | trans | -73.5 | 98.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | L426 | L426-A428 PolarHBondContact O-N 3.16Å; L426-A428 VanDerWaalsContact O-N 3.07Å |
| 429 | D | 29.9 | Very low | 38 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | -158.2 | 120.9 | 151.5 | -108.7 | -31.4 | 0 | 0 | 0 | 112.2 | P427 | P427-D429 PolarHBondContact O-N 3.29Å; P427-D429 VanDerWaalsContact O-N 3.08Å |
| 430 | C | 31.1 | Very low | 37 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | | | trans | -143.2 | 70 | 164.8 | -89.1 | 0 | 0 | 0 | 0 | 107.5 | I432 | C430-I432 PolarHBondContact O-N 3.16Š|
| 431 | G | 29.3 | Very low | 36.2 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 127.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 432 | I | 34.3 | Very low | 35.7 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 135.4 | 163.1 | -65 | 177.9 | 0 | 0 | 0 | 107.9 | C430 | C430-I432 PolarHBondContact O-N 3.16Š|
| 433 | S | 32.1 | Very low | 35 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.2 | -169.8 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 434 | S | 32.6 | Very low | 35 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -140 | 137.5 | 147.1 | 60.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 435 | A | 30.7 | Very low | 35 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -107.3 | 155.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 436 | T | 32 | Very low | 35.2 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | | | trans | -164.9 | 122.9 | 149.1 | -78.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 437 | E | 31.4 | Very low | 35.5 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | 62.8 | 175.2 | 155.1 | -70.5 | -175.8 | 118.5 | 0 | 0 | 123.3 | | |
| 438 | K | 44.3 | Very low | 35.5 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 74% | 0.735 | 81% | 0.809 | S | S | * | * | | | trans | -138.2 | -171.2 | -154.7 | -124.4 | -169.5 | 168.6 | -121.7 | 0 | 107 | D440 | K438-D440 IonicContact NZ-OD2 3.2Å; K438-D440 PolarHBondContact NZ-OD2 3.17Å |
| 439 | P | 47.1 | Very low | 35.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | | | cis | -133.7 | 168.9 | -7.4 | 29 | -5.8 | 0 | 0 | 0 | 117.1 | | |
| 440 | D | 33.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | | | trans | 22.5 | 130.8 | 140.8 | -59.3 | -80.5 | 0 | 0 | 0 | 122 | K438 | K438-D440 IonicContact NZ-OD2 3.2Å; K438-D440 PolarHBondContact NZ-OD2 3.17Å |
| 441 | S | 35.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | | -158.4 | 140.8 | 120.8 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 442 | K | 40 | Very low | 36.6 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -100.3 | 154.1 | 162.8 | -65.8 | 174.2 | 179.6 | 172.2 | 0 | 108.4 | | |
| 443 | T | 32.7 | Very low | 37 | Very low | 145 Ų | 145 | 144 Ų | 144 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -169 | 154.9 | 131.2 | -80.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 444 | K | 40.8 | Very low | 37.7 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -120.3 | 132.5 | -177.5 | 164.5 | -165.3 | 173.1 | -173.2 | 0 | 108.9 | | |
| 445 | V | 36.1 | Very low | 38 | Very low | 140 Ų | 140 | 150 Ų | 150 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -149.5 | 153.1 | 160.2 | 132.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 446 | D | 38 | Very low | 38.6 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | | | trans | -125.5 | 149.8 | -173.9 | 171.8 | 33.6 | 0 | 0 | 0 | 109.7 | | |
| 447 | L | 39 | Very low | 39.1 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -162.6 | 105.1 | 169 | -114.4 | 156.2 | 0 | 0 | 0 | 112.3 | | |
| 448 | G | 33.4 | Very low | 39.6 | Very low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -55.2 | 159.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 449 | G | 33.7 | Very low | 39.6 | Very low | 80 Ų | 80 | 150.9 Ų | 150.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -146.6 | 111.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 450 | H | 41.6 | Very low | 39.5 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -65.5 | 160 | 172.4 | -78 | -88.3 | 0 | 0 | 0 | 113 | | |
| 451 | V | 34.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | | | cis | -175 | 172.3 | -15.9 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 452 | K | 44.5 | Very low | 40.9 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | | | trans | 75.8 | 94.9 | 164 | -60 | -80.5 | 178.7 | 176.2 | 0 | 119.4 | | |
| 453 | R | 43.3 | Very low | 40.9 | Very low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | | | trans | -50.9 | 142.6 | 144.3 | 172.6 | -170.5 | -73.9 | 154.9 | -6.6 | 111.6 | | |
| 454 | K | 46.3 | Very low | 41.4 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | | | trans | -134.7 | 168.5 | 161.4 | -80.9 | -166.9 | 175.3 | -176.7 | 0 | 110.8 | | |
| 455 | H | 38.5 | Very low | 41.4 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -119.7 | 173.8 | -159 | -152.2 | -100.2 | 0 | 0 | 0 | 113.3 | | |
| 456 | L | 44.9 | Very low | 41.7 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -54.6 | 152.9 | 177.7 | -78.6 | 71.1 | 0 | 0 | 0 | 113.9 | | |
| 457 | S | 42.1 | Very low | 41.9 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | | | trans | -139.3 | 154.6 | 141 | 60 | 0 | 0 | 0 | 0 | 110.7 | | |
| 458 | Y | 40.8 | Very low | 42.1 | Very low | 205 Ų | 205 | 149.6 Ų | 149.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -124 | 130.1 | -173.9 | 173.1 | -81.8 | 0 | 0 | 0 | 107.6 | V460 | Y458-V460 HydrophobicContact CE1-CG2 3.79Š|
| 459 | V | 45.5 | Very low | 42.8 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 76% | 0.758 | 83% | 0.825 | S | S | * | * | | | trans | -139.3 | 127 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 110 | | |
| 460 | V | 44.9 | Very low | 43.5 | Very low | 108 Ų | 108 | 161 Ų | 161 | 66% | 0.655 | 83% | 0.825 | S | S | * | * | | | trans | -109.2 | 138 | 167.6 | 170 | 0 | 0 | 0 | 0 | 107.6 | Y458 | Y458-V460 HydrophobicContact CE1-CG2 3.79Š|
| 461 | S | 42.5 | Very low | 43.6 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | trans | -168.4 | 155.4 | 167.8 | -71.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 462 | P | 55.7 | Low | 44.5 | Very low | 201 Ų | 201 | 163.2 Ų | 163.2 | 100% | 1.305 | 84% | 0.835 | S | S | * | * | | | cis | -111.9 | 0 | -21.7 | 36.1 | -23.6 | 0 | 0 | 0 | 113.1 | | |