| 1 | M | 50.7 | Low | 61.6 | Low | 247 Ų | 247 | 158.7 Ų | 158.7 | 100% | 1.217 | 86% | 0.862 | S | S | * | * | | | | 0 | 89 | 0 | -67.6 | 165.5 | 170.4 | 0 | 0 | 106.2 | | |
| 2 | G | 59 | Low | 62.2 | Low | 74 Ų | 74 | 164 Ų | 164 | 76% | 0.763 | 86% | 0.86 | S | S | * | * | | | | 72.1 | 111.4 | 93.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 3 | R | 65.1 | Low | 62.3 | Low | 250 Ų | 250 | 161.7 Ų | 161.7 | 94% | 0.943 | 86% | 0.856 | S | S | * | * | | | cis | -156.6 | 126.6 | 40 | -74.9 | 174.3 | -98.2 | -136.6 | -2 | 109.4 | | |
| 4 | D | 53.4 | Low | 62.2 | Low | 172 Ų | 172 | 160.6 Ų | 160.6 | 92% | 0.92 | 85% | 0.849 | S | S | * | * | | | trans | -96.7 | 140.5 | 155.2 | -163 | -13.5 | 0 | 0 | 0 | 106.1 | | |
| 5 | G | 63.6 | Low | 62.1 | Low | 73 Ų | 73 | 156.2 Ų | 156.2 | 75% | 0.753 | 85% | 0.845 | S | S | * | * | | | trans | 175.5 | 113.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | G | 65.7 | Low | 62 | Low | 75 Ų | 75 | 155.3 Ų | 155.3 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | | | trans | 108.2 | 65.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 7 | R | 59.7 | Low | 61.8 | Low | 216 Ų | 216 | 150.3 Ų | 150.3 | 82% | 0.815 | 84% | 0.84 | S | S | * | * | | | trans | -54.4 | 126 | 159.7 | -172.6 | -173.8 | -63.5 | -159 | -0.6 | 111.1 | | |
| 8 | V | 63.8 | Low | 61.6 | Low | 135 Ų | 135 | 148.3 Ų | 148.3 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -124.1 | 96 | 157.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 9 | R | 68.4 | Low | 61.4 | Low | 207 Ų | 207 | 151 Ų | 151 | 78% | 0.781 | 83% | 0.833 | S | S | * | * | | | trans | -87.8 | 116.7 | 165.4 | -94.7 | -173.1 | 173.9 | 155.2 | -0.9 | 107.3 | S11 | R9-S11 PolarHBondContact O-N 3.49Š|
| 10 | M | 67 | Low | 61.3 | Low | 185 Ų | 185 | 154.2 Ų | 154.2 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | | | trans | -72.5 | 111.8 | 167.1 | -76.6 | 168.1 | 155.9 | 0 | 0 | 108.9 | R12 | M10-R12 PolarHBondContact O-N 3.31Š|
| 11 | S | 61.4 | Low | 60.8 | Low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | | | trans | -67.3 | 124.8 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | R9 V13 | R9-S11 PolarHBondContact O-N 3.49Å; S11-V13 PolarHBondContact O-N 3.33Å |
| 12 | R | 69.1 | Low | 61 | Low | 222 Ų | 222 | 148.5 Ų | 148.5 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | | | trans | -66 | 114.1 | 170.9 | -177.1 | 178.8 | -176 | 111.9 | -2.5 | 108.9 | M10 L14 | M10-R12 PolarHBondContact O-N 3.31Å; R12-L14 PolarHBondContact O-N 3.32Å |
| 13 | V | 63.6 | Low | 60.7 | Low | 134 Ų | 134 | 148 Ų | 148 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -70.6 | 114.3 | 167.1 | 170 | 0 | 0 | 0 | 0 | 107.9 | S11 | S11-V13 PolarHBondContact O-N 3.33Š|
| 14 | L | 60.3 | Low | 60.1 | Low | 146 Ų | 146 | 145.5 Ų | 145.5 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | | | trans | -84.8 | 108.6 | 165.2 | -70.5 | 166.6 | 0 | 0 | 0 | 107.1 | R12 | R12-L14 PolarHBondContact O-N 3.32Š|
| 15 | A | 60.7 | Low | 60.3 | Low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -99.5 | 102 | 163 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 16 | T | 60.3 | Low | 59.9 | Low | 141 Ų | 141 | 144.8 Ų | 144.8 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -70.5 | 129.4 | 163.3 | 40.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 17 | G | 58.8 | Low | 59 | Low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | -167.3 | 82.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 18 | D | 58.8 | Low | 58.9 | Low | 115 Ų | 115 | 141.6 Ų | 141.6 | 62% | 0.615 | 82% | 0.817 | S | S | * | * | | | trans | 55.1 | 90.1 | 146.3 | -144.4 | 44.5 | 0 | 0 | 0 | 118.6 | R20 | D18-R20 IonicContact OD1-CZ 3.33Å; D18-R20 IonicContact OD1-NE 2.94Å; D18-R20 PolarHBondContact OD1-NE 2.86Å; D18-R20 IonicContact OD1-NH2 2.86Å; D18-R20 PolarHBondContact OD1-NH2 2.94Å |
| 19 | E | 56.4 | Low | 58.2 | Low | 199 Ų | 199 | 143.3 Ų | 143.3 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -98.1 | 97.6 | 154.9 | -66.1 | -126.1 | 131.8 | 0 | 0 | 108.5 | | |
| 20 | R | 60.5 | Low | 57.3 | Low | 215 Ų | 215 | 145.2 Ų | 145.2 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -136.7 | 107.1 | 169.3 | -89.7 | -172.4 | -86.8 | -136.4 | -5.4 | 109.6 | D18 | D18-R20 IonicContact OD1-CZ 3.33Å; D18-R20 IonicContact OD1-NE 2.94Å; D18-R20 PolarHBondContact OD1-NE 2.86Å; D18-R20 IonicContact OD1-NH2 2.86Å; D18-R20 PolarHBondContact OD1-NH2 2.94Å |
| 21 | G | 50.9 | Low | 56.5 | Low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 164.2 | 46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | G23 | G21-G23 PolarHBondContact O-N 3.16Š|
| 22 | M | 54.2 | Low | 56 | Low | 203 Ų | 203 | 138.8 Ų | 138.8 | 100% | 1 | 81% | 0.806 | S | S | * | * | | | trans | -74.5 | 84.1 | 162.7 | -72.8 | 161.4 | 106.4 | 0 | 0 | 108.1 | | |
| 23 | G | 52.5 | Low | 54.8 | Low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -90.4 | 99.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G21 V25 | G21-G23 PolarHBondContact O-N 3.16Å; G23-V25 PolarHBondContact O-N 3.01Å; G23-V25 VanDerWaalsContact O-N 3.16Å |
| 24 | E | 52.1 | Low | 54.3 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -55.4 | 106.2 | 166.6 | -175.9 | 173.3 | 127.1 | 0 | 0 | 109.9 | | |
| 25 | V | 58.6 | Low | 53.7 | Low | 140 Ų | 140 | 140.7 Ų | 140.7 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -110.6 | 120.8 | 163.5 | -98.7 | 0 | 0 | 0 | 0 | 108.4 | G23 | G23-V25 PolarHBondContact O-N 3.01Å; G23-V25 VanDerWaalsContact O-N 3.16Å |
| 26 | A | 56 | Low | 53.3 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | | | trans | -46.1 | 143.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V28 | A26-V28 PolarHBondContact O-N 3.35Å; A26-V28 VanDerWaalsContact O-N 3.14Å |
| 27 | G | 45.6 | Very low | 52.7 | Low | 84 Ų | 84 | 147.6 Ų | 147.6 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -55.2 | 115.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 28 | V | 58.6 | Low | 52 | Low | 140 Ų | 140 | 147 Ų | 147 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -93.2 | 113.8 | 151.4 | 175.4 | 0 | 0 | 0 | 0 | 106.4 | A26 R30 | A26-V28 PolarHBondContact O-N 3.35Å; A26-V28 VanDerWaalsContact O-N 3.14Å; V28-R30 PolarHBondContact O-N 3.14Å |
| 29 | E | 48.6 | Very low | 51.2 | Low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | trans | -34.1 | 119.8 | 176.1 | -168.4 | 176.1 | 144.6 | 0 | 0 | 113.1 | A31 | E29-A31 PolarHBondContact O-N 2.92Š|
| 30 | R | 49.5 | Very low | 50.6 | Low | 246 Ų | 246 | 145.6 Ų | 145.6 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | | | trans | -68.5 | 84 | 163.9 | -71.8 | 179.7 | 176.8 | 163.3 | -0.1 | 107.9 | V28 A32 | V28-R30 PolarHBondContact O-N 3.14Å; R30-A32 PolarHBondContact O-N 2.74Å |
| 31 | A | 49.7 | Very low | 50 | Low | 75 Ų | 75 | 143 Ų | 143 | 62% | 0.62 | 82% | 0.824 | S | S | * | * | | | trans | -63.5 | 103.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | E29 C33 | E29-A31 PolarHBondContact O-N 2.92Å; A31-C33 PolarHBondContact O-N 3.02Å |
| 32 | A | 51 | Low | 49.6 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -55.5 | 110.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | R30 K34 | R30-A32 PolarHBondContact O-N 2.74Å; A32-K34 PolarHBondContact O-N 2.87Å |
| 33 | C | 44.1 | Very low | 48.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -68 | 74.2 | 167 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | A31 R35 | A31-C33 PolarHBondContact O-N 3.02Å; C33-R35 PolarHBondContact O-N 2.97Å |
| 34 | K | 52.6 | Low | 48.3 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -63.2 | 95 | 156.4 | -91.6 | -179.3 | 174.3 | -178.8 | 0 | 105.9 | A32 P36 | A32-K34 PolarHBondContact O-N 2.87Å; K34-P36 WeakPolarHBondContact O-CD 3.22Å; K34-P36 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 48.2 | Very low | 48.1 | Very low | 225 Ų | 225 | 134.7 Ų | 134.7 | 85% | 0.849 | 82% | 0.823 | S | S | * | * | | | trans | -53.8 | 115.9 | 169.1 | -63.6 | 173.9 | 75.5 | 179.3 | 4.7 | 106.9 | C33 R37 | C33-R35 PolarHBondContact O-N 2.97Å; R35-R37 PolarHBondContact O-N 3.06Å |
| 36 | P | 53 | Low | 47.8 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -66 | 112.6 | 167.1 | 27.1 | -29.5 | 0 | 0 | 0 | 106.6 | K34 G38 | K34-P36 WeakPolarHBondContact O-CD 3.22Å; K34-P36 VanDerWaalsContact O-N 3.13Å; P36-G38 PolarHBondContact O-N 3.46Å |
| 37 | R | 46.6 | Very low | 47.5 | Very low | 260 Ų | 260 | 132.3 Ų | 132.3 | 98% | 0.981 | 82% | 0.818 | S | S | * | * | | | trans | -68.8 | 93.6 | 154.2 | -80.3 | -161.4 | -164.7 | 179.5 | 5.9 | 105.6 | R35 | R35-R37 PolarHBondContact O-N 3.06Š|
| 38 | G | 43.6 | Very low | 47.7 | Very low | 59 Ų | 59 | 133.1 Ų | 133.1 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | | | trans | -150.1 | 112.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P36 | P36-G38 PolarHBondContact O-N 3.46Š|
| 39 | A | 42.5 | Very low | 47.3 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | 47.3 | 101.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118 | D41 | A39-D41 PolarHBondContact O-N 3.41Š|
| 40 | L | 45 | Very low | 47.4 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 97% | 0.974 | 81% | 0.807 | S | S | * | * | | | trans | -68.2 | 103.8 | 150.7 | -75.7 | 110.2 | 0 | 0 | 0 | 108.2 | | |
| 41 | D | 46.4 | Very low | 47.4 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -159.3 | 143.3 | 151.5 | -153.3 | 1.2 | 0 | 0 | 0 | 110.6 | A39 | A39-D41 PolarHBondContact O-N 3.41Š|
| 42 | G | 43.6 | Very low | 47.5 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 77.5 | 100.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 43 | G | 38.4 | Very low | 47.6 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | | 64.4 | 84.5 | 123.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 44 | G | 40.7 | Very low | 47.8 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -105.4 | 88.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G46 | G44-G46 PolarHBondContact O-N 3.38Å; G44-G46 VanDerWaalsContact O-N 3.13Å |
| 45 | S | 48.3 | Very low | 47.9 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -76.8 | 84.7 | 169.6 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 46 | G | 52.1 | Low | 48.3 | Very low | 70 Ų | 70 | 116.6 Ų | 116.6 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | -99.8 | 98.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G44 | G44-G46 PolarHBondContact O-N 3.38Å; G44-G46 VanDerWaalsContact O-N 3.13Å |
| 47 | S | 48.7 | Very low | 48.5 | Very low | 110 Ų | 110 | 113.7 Ų | 113.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | 35.9 | 80.2 | 161.4 | -156.6 | 0 | 0 | 0 | 0 | 117.5 | A49 | S47-A49 VanDerWaalsContact C-N 3.29Š|
| 48 | A | 51.4 | Low | 48.9 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -91.3 | 22.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A50 | A48-A50 PolarHBondContact O-N 2.94Š|
| 49 | A | 50.5 | Low | 49.4 | Very low | 88 Ų | 88 | 111.9 Ų | 111.9 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -98.1 | 82.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S47 | S47-A49 VanDerWaalsContact C-N 3.29Š|
| 50 | A | 49.7 | Very low | 50 | Low | 85 Ų | 85 | 109 Ų | 109 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -174.5 | -10.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A48 | A48-A50 PolarHBondContact O-N 2.94Š|
| 51 | W | 49.5 | Very low | 50.6 | Low | 146 Ų | 146 | 103.2 Ų | 103.2 | 55% | 0.553 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -99.8 | 117.1 | -179.6 | -65.2 | 78.1 | 0 | 0 | 0 | 108.9 | A53 A73 R74 G75 | W51-A53 PolarHBondContact O-N 3.43Å; W51-A73 VanDerWaalsContact CH2-C 3.44Å; W51-A73 WeakPolarHBondContact CH2-O 3.5Å; W51-A73 WeakPolarHBondContact CZ2-O 3.39Å; W51-R74 VanDerWaalsContact CH2-CA 3.41Å; W51-R74 VanDerWaalsContact CZ3-O 3.32Å; W51-R74 WeakPolarHBondContact CZ3-O 3.44Å; W51-G75 VanDerWaalsContact CZ3-CA 3.46Å |
| 52 | P | 52.8 | Low | 51.3 | Low | 110 Ų | 110 | 99.4 Ų | 99.4 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | | | trans | -50.2 | 114.2 | 171 | -22.6 | 31.7 | 0 | 0 | 0 | 107.4 | C54 | P52-C54 VanDerWaalsContact C-N 3.27Å; P52-C54 PolarHBondContact O-N 2.89Å |
| 53 | A | 51.8 | Low | 52.4 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 54% | 0.537 | 68% | 0.68 | S | S | . | * | | | trans | -65.1 | 87.8 | -169 | 0 | 0 | 0 | 0 | 0 | 109.7 | W51 R55 | W51-A53 PolarHBondContact O-N 3.43Å; A53-R55 PolarHBondContact O-N 3.11Å; A53-R55 VanDerWaalsContact O-N 3.11Å |
| 54 | C | 48.7 | Very low | 53.9 | Low | 90 Ų | 90 | 103.7 Ų | 103.7 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | | | trans | -51.8 | 120.6 | 157.4 | -167.9 | 0 | 0 | 0 | 0 | 105.2 | P52 V56 A57 | P52-C54 VanDerWaalsContact C-N 3.27Å; P52-C54 PolarHBondContact O-N 2.89Å; C54-V56 PolarHBondContact O-N 3.38Å; C54-A57 PolarHBondContact O-N 3.06Å |
| 55 | R | 54.3 | Low | 55.7 | Low | 228 Ų | 228 | 103 Ų | 103 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -7.2 | -173 | -77.8 | -161.1 | -85.4 | -103.8 | 4.5 | 114.7 | A53 | A53-R55 PolarHBondContact O-N 3.11Å; A53-R55 VanDerWaalsContact O-N 3.11Å |
| 56 | V | 57.3 | Low | 57.1 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 62% | 0.618 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.8 | -26.6 | 171.4 | -173.6 | 0 | 0 | 0 | 0 | 113.7 | C54 R58 A59 A60 | C54-V56 PolarHBondContact O-N 3.38Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 3.32Å; V56-A59 PolarHBondContact O-N 3.07Å; V56-A60 PolarHBondContact O-N 3.29Å |
| 57 | A | 56.7 | Low | 58.6 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.1 | -24.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C54 | C54-A57 PolarHBondContact O-N 3.06Å |
| 58 | R | 55.5 | Low | 60.5 | Low | 197 Ų | 197 | 104.4 Ų | 104.4 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -88.5 | -25.2 | -179.3 | -133.4 | 178.2 | -70.3 | 118.9 | -4.4 | 113.3 | V56 | V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 3.32Å |
| 59 | A | 53.8 | Low | 62.4 | Low | 84 Ų | 84 | 102.7 Ų | 102.7 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.4 | -19.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | V56 A61 | V56-A59 PolarHBondContact O-N 3.07Å; A59-A61 VanDerWaalsContact C-N 3.29Å; A59-A61 PolarHBondContact O-N 2.98Å |
| 60 | A | 55.6 | Low | 64.4 | Low | 36 Ų | 36 | 101.3 Ų | 101.3 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -7.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V56 G62 | V56-A60 PolarHBondContact O-N 3.29Å; A60-G62 VanDerWaalsContact C-N 3.29Å; A60-G62 PolarHBondContact O-N 3.29Å |
| 61 | A | 57.7 | Low | 66.4 | Low | 66 Ų | 66 | 102.9 Ų | 102.9 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | -17.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A59 R66 | A59-A61 VanDerWaalsContact C-N 3.29Å; A59-A61 PolarHBondContact O-N 2.98Å; A61-R66 PolarHBondContact O-NH2 3.44Å |
| 62 | G | 61 | Low | 68.4 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 83% | 0.825 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -125.2 | 2.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | A60 | A60-G62 VanDerWaalsContact C-N 3.29Å; A60-G62 PolarHBondContact O-N 3.29Å |
| 63 | G | 66.7 | Low | 70.2 | Confident | 37 Ų | 37 | 98 Ų | 98 | 38% | 0.381 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -118.6 | 146.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D65 | G63-D65 PolarHBondContact O-N 2.92Š|
| 64 | K | 70.3 | Confident | 71.9 | Confident | 209 Ų | 209 | 101.4 Ų | 101.4 | 91% | 0.909 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -33 | -15 | 176.9 | -171.2 | 68.6 | 169.5 | -165.8 | 0 | 119.2 | R66 | K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.11Å |
| 65 | D | 77.4 | Confident | 73.8 | Confident | 69 Ų | 69 | 97.8 Ų | 97.8 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -74.8 | -7.3 | -169.1 | -171 | 39.8 | 0 | 0 | 0 | 114.8 | G63 H67 S68 K69 | G63-D65 PolarHBondContact O-N 2.92Å; D65-H67 PolarHBondContact O-N 3.32Å; D65-H67 VanDerWaalsContact O-N 3.08Å; D65-S68 PolarHBondContact O-N 3.37Å; D65-S68 PolarHBondContact O-OG 3.15Å; D65-S68 WeakPolarHBondContact OD1-CB 3.04Å; D65-S68 PolarHBondContact OD1-OG 3.4Å; D65-K69 VanDerWaalsContact CG-CE 3.44Å; D65-K69 PolarHBondContact O-N 3.28Å; D65-K69 VanDerWaalsContact OD1-CE 3.24Å; D65-K69 WeakPolarHBondContact OD1-CE 3.47Å; D65-K69 WeakPolarHBondContact OD2-CE 3.48Å; D65-K69 WeakPolarHBondContact OD2-CG 3.46Å |
| 66 | R | 77.9 | Confident | 75.5 | Confident | 179 Ų | 179 | 92 Ų | 92 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -59.2 | -26.1 | -178.5 | -62.8 | -178.3 | 177.9 | -135.4 | 7.9 | 114.1 | A61 K64 | A61-R66 PolarHBondContact O-NH2 3.44Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.11Å |
| 67 | H | 84.4 | Confident | 77.2 | Confident | 142 Ų | 142 | 95 Ų | 95 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -88.9 | -10.8 | 175.9 | -167.4 | 82.6 | 0 | 0 | 0 | 113.1 | D65 R79 | D65-H67 PolarHBondContact O-N 3.32Å; D65-H67 VanDerWaalsContact O-N 3.08Å; H67-R79 PolarHBondContact CD2-NH2 3.31Å; H67-R79 PolarHBondContact CE1-NH2 2.61Å; H67-R79 VanDerWaalsContact CG-NH2 3.29Å; H67-R79 PolarHBondContact ND1-NH2 3.25Å; H67-R79 PolarHBondContact NE2-NH2 2.84Å; H67-R79 PolarHBondContact O-NE 2.99Å; H67-R79 PolarHBondContact O-NH2 3.24Å |
| 68 | S | 88.4 | Confident | 79 | Confident | 18 Ų | 18 | 95.7 Ų | 95.7 | 13% | 0.126 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -18.5 | 165.7 | 11.2 | 0 | 0 | 0 | 0 | 111.3 | D65 R79 | D65-S68 PolarHBondContact O-N 3.37Å; D65-S68 PolarHBondContact O-OG 3.15Å; D65-S68 WeakPolarHBondContact OD1-CB 3.04Å; D65-S68 PolarHBondContact OD1-OG 3.4Å; S68-R79 WeakPolarHBondContact O-CG 3.47Å; S68-R79 PolarHBondContact O-N 2.99Å |
| 69 | K | 91.6 | Very high | 80.8 | Confident | 66 Ų | 66 | 92.4 Ų | 92.4 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 122.5 | 168.8 | 8.5 | -90.9 | 178.9 | 179.1 | 0 | 117.3 | D65 L76 R77 D78 R79 | D65-K69 VanDerWaalsContact CG-CE 3.44Å; D65-K69 PolarHBondContact O-N 3.28Å; D65-K69 VanDerWaalsContact OD1-CE 3.24Å; D65-K69 WeakPolarHBondContact OD1-CE 3.47Å; D65-K69 WeakPolarHBondContact OD2-CE 3.48Å; D65-K69 WeakPolarHBondContact OD2-CG 3.46Å; K69-L76 HydrophobicContact CB-CD2 4.46Å; K69-R77 WeakPolarHBondContact CB-O 3.27Å; K69-R77 WeakPolarHBondContact CD-O 3.18Å; K69-D78 IonicContact NZ-OD2 2.91Å; K69-D78 PolarHBondContact NZ-OD2 3.01Å; K69-R79 WeakPolarHBondContact O-CD 3.45Å |
| 70 | V | 92.1 | Very high | 82.7 | Confident | 59 Ų | 59 | 97.4 Ų | 97.4 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.3 | 149.7 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | T72 R77 R79 | V70-T72 HydrophobicContact CG1-CG2 4.39Å; V70-T72 HydrophobicContact CG2-CG2 4.5Å; V70-R77 HydrophobicContact CG1-CB 3.74Å; V70-R77 PolarHBondContact N-O 3.43Å; V70-R77 PolarHBondContact O-N 3.04Å; V70-R79 HydrophobicContact CB-CG 3.76Å; V70-R79 HydrophobicContact CG1-CG 4.02Å |
| 71 | V | 90.7 | Very high | 84.6 | Confident | 118 Ų | 118 | 101 Ų | 101 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.2 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L76 | V71-L76 HydrophobicContact CB-CD2 4.37Å; V71-L76 HydrophobicContact CG2-CD2 3.64Å |
| 72 | T | 91.6 | Very high | 86.4 | Confident | 52 Ų | 52 | 109.8 Ų | 109.8 | 32% | 0.319 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 162.8 | 175.6 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | V70 R74 G75 R77 | V70-T72 HydrophobicContact CG1-CG2 4.39Å; V70-T72 HydrophobicContact CG2-CG2 4.5Å; T72-R74 PolarHBondContact O-N 3.16Å; T72-R74 PolarHBondContact OG1-N 3.23Å; T72-G75 PolarHBondContact N-O 3.38Å; T72-G75 PolarHBondContact O-N 3.44Å; T72-G75 PolarHBondContact OG1-N 3.21Å; T72-G75 PolarHBondContact OG1-O 3.18Å; T72-R77 HydrophobicContact CG2-CB 4.33Å; T72-R77 HydrophobicContact CG2-CG 3.98Å |
| 73 | A | 90.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 84% | 0.843 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -2.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W51 | W51-A73 VanDerWaalsContact CH2-C 3.44Å; W51-A73 WeakPolarHBondContact CH2-O 3.5Å; W51-A73 WeakPolarHBondContact CZ2-O 3.39Å |
| 74 | R | 87 | Confident | 89.6 | Confident | 136 Ų | 136 | 111 Ų | 111 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 3 | 171.8 | -66.9 | -168.7 | 178 | 179.7 | 3.9 | 113.4 | W51 T72 | W51-R74 VanDerWaalsContact CH2-CA 3.41Å; W51-R74 VanDerWaalsContact CZ3-O 3.32Å; W51-R74 WeakPolarHBondContact CZ3-O 3.44Å; T72-R74 PolarHBondContact O-N 3.16Å; T72-R74 PolarHBondContact OG1-N 3.23Å |
| 75 | G | 89.7 | Confident | 90.9 | Very high | 14 Ų | 14 | 106.5 Ų | 106.5 | 14% | 0.144 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.3 | -170.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W51 T72 | W51-G75 VanDerWaalsContact CZ3-CA 3.46Å; T72-G75 PolarHBondContact N-O 3.38Å; T72-G75 PolarHBondContact O-N 3.44Å; T72-G75 PolarHBondContact OG1-N 3.21Å; T72-G75 PolarHBondContact OG1-O 3.18Å |
| 76 | L | 90.3 | Very high | 91.9 | Very high | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128 | 176.6 | -68.1 | 175.5 | 0 | 0 | 0 | 111.1 | K69 V71 | K69-L76 HydrophobicContact CB-CD2 4.46Å; V71-L76 HydrophobicContact CB-CD2 4.37Å; V71-L76 HydrophobicContact CG2-CD2 3.64Å |
| 77 | R | 93.4 | Very high | 92.9 | Very high | 166 Ų | 166 | 101.6 Ų | 101.6 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.9 | -178.4 | -66.2 | -89.4 | -76.2 | 160.3 | -1.8 | 110.2 | K69 V70 T72 | K69-R77 WeakPolarHBondContact CB-O 3.27Å; K69-R77 WeakPolarHBondContact CD-O 3.18Å; V70-R77 HydrophobicContact CG1-CB 3.74Å; V70-R77 PolarHBondContact N-O 3.43Å; V70-R77 PolarHBondContact O-N 3.04Å; T72-R77 HydrophobicContact CG2-CB 4.33Å; T72-R77 HydrophobicContact CG2-CG 3.98Å |
| 78 | D | 93.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 96 Ų | 96 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 142.8 | 173.2 | -149.9 | -55.2 | 0 | 0 | 0 | 111 | K69 R80 | K69-D78 IonicContact NZ-OD2 2.91Å; K69-D78 PolarHBondContact NZ-OD2 3.01Å; D78-R80 WeakPolarHBondContact OD1-CB 3.31Å; D78-R80 PolarHBondContact OD1-N 3.3Å |
| 79 | R | 94 | Very high | 93.9 | Very high | 129 Ų | 129 | 99.9 Ų | 99.9 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -81.6 | -15.2 | 173.1 | -64.1 | -167.1 | -53.9 | 160.2 | 19.4 | 113 | H67 S68 K69 V70 | H67-R79 PolarHBondContact CD2-NH2 3.31Å; H67-R79 PolarHBondContact CE1-NH2 2.61Å; H67-R79 VanDerWaalsContact CG-NH2 3.29Å; H67-R79 PolarHBondContact ND1-NH2 3.25Å; H67-R79 PolarHBondContact NE2-NH2 2.84Å; H67-R79 PolarHBondContact O-NE 2.99Å; H67-R79 PolarHBondContact O-NH2 3.24Å; S68-R79 WeakPolarHBondContact O-CG 3.47Å; S68-R79 PolarHBondContact O-N 2.99Å; K69-R79 WeakPolarHBondContact O-CD 3.45Å; V70-R79 HydrophobicContact CB-CG 3.76Å; V70-R79 HydrophobicContact CG1-CG 4.02Å |
| 80 | R | 93.3 | Very high | 94.2 | Very high | 188 Ų | 188 | 102.9 Ų | 102.9 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | | | trans | -97.4 | 135.3 | -177.4 | -61.3 | 171.6 | 178.6 | 163.5 | -1.4 | 110.7 | D78 | D78-R80 WeakPolarHBondContact OD1-CB 3.31Å; D78-R80 PolarHBondContact OD1-N 3.3Å |
| 81 | V | 94.7 | Very high | 94.5 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 69% | 0.685 | 52% | 0.516 | S | S | * | . | | | trans | -110.4 | 131.2 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | L83 | V81-L83 HydrophobicContact CG1-CD2 3.87Š|
| 82 | R | 96.1 | Very high | 94.8 | Very high | 249 Ų | 249 | 101.6 Ų | 101.6 | 94% | 0.94 | 51% | 0.505 | S | S | * | . | | | trans | -99.7 | 110.6 | 174.5 | -59.5 | 178.7 | 93.6 | 124 | -0 | 108.1 | | |
| 83 | L | 97 | Very high | 95.1 | Very high | 81 Ų | 81 | 102.9 Ų | 102.9 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | | | trans | -86.9 | 152.2 | 179 | -58.8 | 178 | 0 | 0 | 0 | 110.6 | V81 T87 A88 F91 | V81-L83 HydrophobicContact CG1-CD2 3.87Å; L83-T87 HydrophobicContact CD2-CG2 4.24Å; L83-A88 HydrophobicContact CB-CB 4.21Å; L83-F91 HydrophobicContact CD1-CB 4.12Å; L83-F91 HydrophobicContact CD1-CD1 4.29Å; L83-F91 HydrophobicContact CD1-CG 4.11Å |
| 84 | S | 97.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | | | trans | -65.5 | 155.7 | 165.7 | 79.2 | 0 | 0 | 0 | 0 | 109.8 | P86 T87 A88 | S84-P86 WeakPolarHBondContact OG-CD 3.49Å; S84-P86 WeakPolarHBondContact OG-CG 3.37Å; S84-T87 PolarHBondContact O-N 3.01Å; S84-T87 WeakPolarHBondContact OG-CB 3.4Å; S84-T87 PolarHBondContact OG-N 2.89Å; S84-T87 PolarHBondContact OG-OG1 3.23Å; S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 2.92Å |
| 85 | V | 98.1 | Very high | 95.9 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -52.1 | -51 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | T87 A88 I89 | V85-T87 PolarHBondContact O-N 2.95Å; V85-A88 PolarHBondContact O-N 3.14Å; V85-I89 HydrophobicContact CG1-CD1 4.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.38Å; V85-I89 PolarHBondContact O-N 2.99Å |
| 86 | P | 98.3 | Very high | 96.2 | Very high | 82 Ų | 82 | 100.4 Ų | 100.4 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | -179.3 | 24.2 | -34.1 | 0 | 0 | 0 | 112.9 | S84 I89 Q90 | S84-P86 WeakPolarHBondContact OG-CD 3.49Å; S84-P86 WeakPolarHBondContact OG-CG 3.37Å; P86-I89 PolarHBondContact O-N 2.94Å; P86-Q90 PolarHBondContact O-N 2.91Å |
| 87 | T | 97.9 | Very high | 96.6 | Very high | 63 Ų | 63 | 105.7 Ų | 105.7 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 176.7 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | L83 S84 V85 Q90 F91 | L83-T87 HydrophobicContact CD2-CG2 4.24Å; S84-T87 PolarHBondContact O-N 3.01Å; S84-T87 WeakPolarHBondContact OG-CB 3.4Å; S84-T87 PolarHBondContact OG-N 2.89Å; S84-T87 PolarHBondContact OG-OG1 3.23Å; V85-T87 PolarHBondContact O-N 2.95Å; T87-Q90 PolarHBondContact O-N 3.06Å; T87-F91 VanDerWaalsContact O-CB 3.26Å; T87-F91 WeakPolarHBondContact O-CB 3.48Å; T87-F91 PolarHBondContact O-N 2.91Å |
| 88 | A | 97.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 100.4 Ų | 100.4 | 20% | 0.198 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L83 S84 V85 F91 Y92 | L83-A88 HydrophobicContact CB-CB 4.21Å; S84-A88 WeakPolarHBondContact O-CB 3.46Å; S84-A88 PolarHBondContact O-N 2.92Å; V85-A88 PolarHBondContact O-N 3.14Å; A88-F91 PolarHBondContact O-N 3.19Å; A88-Y92 HydrophobicContact CB-CE2 4.41Å; A88-Y92 WeakPolarHBondContact O-CD2 3.43Å; A88-Y92 PolarHBondContact O-N 3.43Å |
| 89 | I | 97.4 | Very high | 96.9 | Very high | 101 Ų | 101 | 100 Ų | 100 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 176.4 | -64.3 | 166.8 | 0 | 0 | 0 | 110 | V85 P86 F91 Y92 D93 | V85-I89 HydrophobicContact CG1-CD1 4.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.38Å; V85-I89 PolarHBondContact O-N 2.99Å; P86-I89 PolarHBondContact O-N 2.94Å; I89-F91 VanDerWaalsContact C-N 3.29Å; I89-F91 PolarHBondContact O-N 3.21Å; I89-Y92 PolarHBondContact O-N 3.26Å; I89-D93 PolarHBondContact O-N 2.99Å |
| 90 | Q | 97.3 | Very high | 96.9 | Very high | 129 Ų | 129 | 95.5 Ų | 95.5 | 60% | 0.603 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.4 | -37.7 | 179.2 | -66.1 | 175.4 | 1.1 | 0 | 0 | 112.9 | P86 T87 I94 | P86-Q90 PolarHBondContact O-N 2.91Å; T87-Q90 PolarHBondContact O-N 3.06Å; Q90-I94 WeakPolarHBondContact O-CG1 3.47Å; Q90-I94 PolarHBondContact O-N 3.34Å |
| 91 | F | 97.9 | Very high | 97 | Very high | 26 Ų | 26 | 93.7 Ų | 93.7 | 11% | 0.114 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 178.8 | 175.3 | -96.2 | 0 | 0 | 0 | 112 | L83 T87 A88 I89 D93 I94 Q95 P103 A106 I107 | L83-F91 HydrophobicContact CD1-CB 4.12Å; L83-F91 HydrophobicContact CD1-CD1 4.29Å; L83-F91 HydrophobicContact CD1-CG 4.11Å; T87-F91 VanDerWaalsContact O-CB 3.26Å; T87-F91 WeakPolarHBondContact O-CB 3.48Å; T87-F91 PolarHBondContact O-N 2.91Å; A88-F91 PolarHBondContact O-N 3.19Å; I89-F91 VanDerWaalsContact C-N 3.29Å; I89-F91 PolarHBondContact O-N 3.21Å; F91-D93 VanDerWaalsContact C-N 3.35Å; F91-I94 WeakPolarHBondContact O-CB 3.47Å; F91-I94 PolarHBondContact O-N 2.92Å; F91-Q95 PolarHBondContact O-N 3.27Å; F91-P103 HydrophobicContact CE1-CB 3.78Å; F91-P103 HydrophobicContact CZ-CB 3.83Å; F91-A106 HydrophobicContact CE2-CB 4.11Å; F91-A106 HydrophobicContact CZ-CB 3.92Å; F91-I107 HydrophobicContact CE2-CD1 4.45Å; F91-I107 HydrophobicContact CE2-CG1 3.63Å; F91-I107 HydrophobicContact CZ-CD1 4.4Å; F91-I107 HydrophobicContact CZ-CG1 3.9Å |
| 92 | Y | 97.6 | Very high | 97.1 | Very high | 124 Ų | 124 | 93.6 Ų | 93.6 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.2 | -31.4 | 179 | -71.7 | -59.3 | 0 | 0 | 0 | 112.4 | A88 I89 I94 Q95 D96 | A88-Y92 HydrophobicContact CB-CE2 4.41Å; A88-Y92 WeakPolarHBondContact O-CD2 3.43Å; A88-Y92 PolarHBondContact O-N 3.43Å; I89-Y92 PolarHBondContact O-N 3.26Å; Y92-I94 VanDerWaalsContact C-N 3.29Å; Y92-I94 PolarHBondContact O-N 3.11Å; Y92-Q95 WeakPolarHBondContact O-CB 3.25Å; Y92-Q95 PolarHBondContact O-N 3.06Å; Y92-Q95 VanDerWaalsContact O-N 3.16Å; Y92-D96 PolarHBondContact O-N 3.19Å |
| 93 | D | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 84 Ų | 84 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 170.2 | -69.7 | -14.6 | 0 | 0 | 0 | 111.9 | I89 F91 R97 | I89-D93 PolarHBondContact O-N 2.99Å; F91-D93 VanDerWaalsContact C-N 3.35Å; D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 WeakPolarHBondContact O-CD 3.46Å; D93-R97 WeakPolarHBondContact O-CG 3.08Å; D93-R97 PolarHBondContact O-N 2.85Å; D93-R97 VanDerWaalsContact O-N 3.11Å |
| 94 | I | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 84.3 Ų | 84.3 | 28% | 0.282 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 175.2 | -65.8 | 164.3 | 0 | 0 | 0 | 110.2 | Q90 F91 Y92 D96 R97 L98 W109 | Q90-I94 WeakPolarHBondContact O-CG1 3.47Å; Q90-I94 PolarHBondContact O-N 3.34Å; F91-I94 WeakPolarHBondContact O-CB 3.47Å; F91-I94 PolarHBondContact O-N 2.92Å; Y92-I94 VanDerWaalsContact C-N 3.29Å; Y92-I94 PolarHBondContact O-N 3.11Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.47Å; I94-R97 PolarHBondContact O-N 3.3Å; I94-L98 HydrophobicContact CG2-CD1 3.81Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 VanDerWaalsContact O-CG 3.27Å; I94-L98 WeakPolarHBondContact O-CG 3.26Å; I94-L98 PolarHBondContact O-N 2.93Å; I94-W109 HydrophobicContact CG2-CE3 4.19Å; I94-W109 HydrophobicContact CG2-CZ3 3.91Å |
| 95 | Q | 97.1 | Very high | 97 | Very high | 19 Ų | 19 | 87.3 Ų | 87.3 | 9% | 0.089 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 179.2 | -176.1 | 174.6 | -28.3 | 0 | 0 | 111.8 | F91 Y92 L98 G99 V100 D101 A106 | F91-Q95 PolarHBondContact O-N 3.27Å; Y92-Q95 WeakPolarHBondContact O-CB 3.25Å; Y92-Q95 PolarHBondContact O-N 3.06Å; Y92-Q95 VanDerWaalsContact O-N 3.16Å; Q95-L98 PolarHBondContact O-N 3.48Å; Q95-G99 PolarHBondContact O-N 3.05Å; Q95-V100 HydrophobicContact CG-CG2 3.84Å; Q95-V100 WeakPolarHBondContact CG-O 3.49Å; Q95-V100 PolarHBondContact NE2-O 3.48Å; Q95-V100 PolarHBondContact O-N 3.27Å; Q95-D101 PolarHBondContact NE2-O 2.84Å; Q95-A106 HydrophobicContact CB-CB 4.31Å; Q95-A106 HydrophobicContact CG-CB 4.38Å |
| 96 | D | 97.4 | Very high | 96.9 | Very high | 125 Ų | 125 | 81.9 Ų | 81.9 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 178.7 | -72.3 | -8.2 | 0 | 0 | 0 | 111.6 | Y92 I94 L98 G99 | Y92-D96 PolarHBondContact O-N 3.19Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.47Å; D96-L98 VanDerWaalsContact C-N 3.28Å; D96-L98 PolarHBondContact O-N 3.29Å; D96-G99 PolarHBondContact O-N 2.54Å; D96-G99 VanDerWaalsContact O-N 3.11Å |
| 97 | R | 97.2 | Very high | 96.9 | Very high | 217 Ų | 217 | 81.4 Ų | 81.4 | 82% | 0.819 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.6 | -32.7 | 175.5 | -72.8 | 171.3 | -174.5 | -149.5 | 3.1 | 113.1 | D93 I94 G99 | D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 WeakPolarHBondContact O-CD 3.46Å; D93-R97 WeakPolarHBondContact O-CG 3.08Å; D93-R97 PolarHBondContact O-N 2.85Å; D93-R97 VanDerWaalsContact O-N 3.11Å; I94-R97 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact C-N 3.34Å |
| 98 | L | 96.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 82.9 Ų | 82.9 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -80.4 | -16.9 | 175.8 | -67.2 | 173 | 0 | 0 | 0 | 112.8 | I94 Q95 D96 V100 A106 W109 | I94-L98 HydrophobicContact CG2-CD1 3.81Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 VanDerWaalsContact O-CG 3.27Å; I94-L98 WeakPolarHBondContact O-CG 3.26Å; I94-L98 PolarHBondContact O-N 2.93Å; Q95-L98 PolarHBondContact O-N 3.48Å; D96-L98 VanDerWaalsContact C-N 3.28Å; D96-L98 PolarHBondContact O-N 3.29Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 HydrophobicContact CB-CG1 4.09Å; L98-V100 HydrophobicContact CB-CG2 4.06Å; L98-V100 PolarHBondContact O-N 3.33Å; L98-A106 HydrophobicContact CD1-CB 4.38Å; L98-W109 HydrophobicContact CD1-CB 4.02Å; L98-W109 HydrophobicContact CD1-CD2 3.63Å; L98-W109 HydrophobicContact CD1-CE3 3.69Å; L98-W109 HydrophobicContact CD1-CG 3.77Å; L98-W109 HydrophobicContact CD1-CZ3 4.4Å; L98-W109 HydrophobicContact CD2-CD2 3.8Å; L98-W109 HydrophobicContact CD2-CE3 4.38Å; L98-W109 HydrophobicContact CD2-CG 4.05Å; L98-W109 HydrophobicContact CD2-CZ2 4.03Å; L98-W109 HydrophobicContact CG-CD2 4.34Å |
| 99 | G | 96.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 87.2 Ų | 87.2 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 31.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q95 D96 R97 | Q95-G99 PolarHBondContact O-N 3.05Å; D96-G99 PolarHBondContact O-N 2.54Å; D96-G99 VanDerWaalsContact O-N 3.11Å; R97-G99 VanDerWaalsContact C-N 3.34Å |
| 100 | V | 95.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 86.1 Ų | 86.1 | 22% | 0.218 | 43% | 0.432 | C | S | . | . | | | trans | -102.9 | 124.4 | -179.8 | -61 | 0 | 0 | 0 | 0 | 111.2 | Q95 L98 Q102 K105 A106 | Q95-V100 HydrophobicContact CG-CG2 3.84Å; Q95-V100 WeakPolarHBondContact CG-O 3.49Å; Q95-V100 PolarHBondContact NE2-O 3.48Å; Q95-V100 PolarHBondContact O-N 3.27Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 HydrophobicContact CB-CG1 4.09Å; L98-V100 HydrophobicContact CB-CG2 4.06Å; L98-V100 PolarHBondContact O-N 3.33Å; V100-Q102 VanDerWaalsContact C-N 3.28Å; V100-Q102 PolarHBondContact O-N 2.89Å; V100-K105 HydrophobicContact CB-CB 4.36Å; V100-K105 HydrophobicContact CG1-CB 4.49Å; V100-A106 HydrophobicContact CG2-CB 3.77Å |
| 101 | D | 95.7 | Very high | 96.8 | Very high | 149 Ų | 149 | 84.7 Ų | 84.7 | 80% | 0.797 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -74.5 | -20.9 | 179.8 | -60.2 | -46 | 0 | 0 | 0 | 113.4 | Q95 | Q95-D101 PolarHBondContact NE2-O 2.84Š|
| 102 | Q | 95.7 | Very high | 96.8 | Very high | 111 Ų | 111 | 90.7 Ų | 90.7 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | | | trans | -104.7 | 119.8 | -173.6 | -69.7 | -67.3 | -29.3 | 0 | 0 | 110.5 | V100 S104 K105 A106 | V100-Q102 VanDerWaalsContact C-N 3.28Å; V100-Q102 PolarHBondContact O-N 2.89Å; Q102-S104 PolarHBondContact O-N 3.24Å; Q102-K105 HydrophobicContact CB-CB 4.5Å; Q102-K105 HydrophobicContact CB-CD 4.34Å; Q102-K105 HydrophobicContact CB-CG 4.15Å; Q102-K105 WeakPolarHBondContact O-CB 3.42Å; Q102-K105 PolarHBondContact O-N 3.27Å; Q102-A106 PolarHBondContact O-N 2.72Å |
| 103 | P | 95.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -30.6 | -178.4 | 25.6 | -34.7 | 0 | 0 | 0 | 112 | F91 K105 A106 I107 | F91-P103 HydrophobicContact CE1-CB 3.78Å; F91-P103 HydrophobicContact CZ-CB 3.83Å; P103-K105 VanDerWaalsContact C-N 3.26Å; P103-K105 PolarHBondContact O-N 3.41Å; P103-A106 PolarHBondContact O-N 3.05Å; P103-I107 WeakPolarHBondContact O-CG1 3.44Å; P103-I107 PolarHBondContact O-N 3.05Å |
| 104 | S | 95.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 85.8 Ų | 85.8 | 60% | 0.601 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.2 | -34.4 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | Q102 E108 | Q102-S104 PolarHBondContact O-N 3.24Å; S104-E108 WeakPolarHBondContact O-CB 3.3Å; S104-E108 PolarHBondContact O-N 2.61Å |
| 105 | K | 97.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 85.1 Ų | 85.1 | 54% | 0.543 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.4 | -37.4 | 176.3 | -69.4 | -174 | 177.5 | -178.7 | 0 | 112 | V100 Q102 P103 I107 E108 W109 | V100-K105 HydrophobicContact CB-CB 4.36Å; V100-K105 HydrophobicContact CG1-CB 4.49Å; Q102-K105 HydrophobicContact CB-CB 4.5Å; Q102-K105 HydrophobicContact CB-CD 4.34Å; Q102-K105 HydrophobicContact CB-CG 4.15Å; Q102-K105 WeakPolarHBondContact O-CB 3.42Å; Q102-K105 PolarHBondContact O-N 3.27Å; P103-K105 VanDerWaalsContact C-N 3.26Å; P103-K105 PolarHBondContact O-N 3.41Å; K105-I107 VanDerWaalsContact C-N 3.34Å; K105-E108 WeakPolarHBondContact O-CB 3.43Å; K105-E108 PolarHBondContact O-N 3.25Å; K105-W109 PolarHBondContact O-N 2.92Å |
| 106 | A | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F91 Q95 L98 V100 Q102 P103 W109 L110 | F91-A106 HydrophobicContact CE2-CB 4.11Å; F91-A106 HydrophobicContact CZ-CB 3.92Å; Q95-A106 HydrophobicContact CB-CB 4.31Å; Q95-A106 HydrophobicContact CG-CB 4.38Å; L98-A106 HydrophobicContact CD1-CB 4.38Å; V100-A106 HydrophobicContact CG2-CB 3.77Å; Q102-A106 PolarHBondContact O-N 2.72Å; P103-A106 PolarHBondContact O-N 3.05Å; A106-W109 WeakPolarHBondContact O-CB 3.49Å; A106-W109 PolarHBondContact O-N 2.88Å; A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 PolarHBondContact O-N 2.96Å |
| 107 | I | 97.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 85.7 Ų | 85.7 | 37% | 0.369 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.2 | -65.2 | 168.8 | 0 | 0 | 0 | 110.9 | F91 P103 K105 W109 L110 I111 | F91-I107 HydrophobicContact CE2-CD1 4.45Å; F91-I107 HydrophobicContact CE2-CG1 3.63Å; F91-I107 HydrophobicContact CZ-CD1 4.4Å; F91-I107 HydrophobicContact CZ-CG1 3.9Å; P103-I107 WeakPolarHBondContact O-CG1 3.44Å; P103-I107 PolarHBondContact O-N 3.05Å; K105-I107 VanDerWaalsContact C-N 3.34Å; I107-W109 VanDerWaalsContact C-N 3.31Å; I107-W109 PolarHBondContact O-N 3.24Å; I107-L110 WeakPolarHBondContact O-CB 3.45Å; I107-L110 PolarHBondContact O-N 3.08Å; I107-L110 VanDerWaalsContact O-N 3.14Å; I107-I111 HydrophobicContact CG2-CD1 3.98Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 2.88Å |
| 108 | E | 97 | Very high | 96.5 | Very high | 94 Ų | 94 | 79 Ų | 79 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.6 | -160.7 | -171.2 | 173.6 | 0 | 0 | 111.9 | S104 K105 R112 | S104-E108 WeakPolarHBondContact O-CB 3.3Å; S104-E108 PolarHBondContact O-N 2.61Å; K105-E108 WeakPolarHBondContact O-CB 3.43Å; K105-E108 PolarHBondContact O-N 3.25Å; E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 2.91Å; E108-R112 IonicContact OE1-CZ 3.38Å; E108-R112 IonicContact OE1-NH1 3.54Å; E108-R112 IonicContact OE1-NH2 3.89Å; E108-R112 PolarHBondContact OE1-NH2 3.38Å; E108-R112 IonicContact OE2-NH1 2.61Å |
| 109 | W | 97.8 | Very high | 96.4 | Very high | 116 Ų | 116 | 82.8 Ų | 82.8 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 171.4 | 178.7 | 91.7 | 0 | 0 | 0 | 111.7 | I94 L98 K105 A106 I107 I111 R112 A113 | I94-W109 HydrophobicContact CG2-CE3 4.19Å; I94-W109 HydrophobicContact CG2-CZ3 3.91Å; L98-W109 HydrophobicContact CD1-CB 4.02Å; L98-W109 HydrophobicContact CD1-CD2 3.63Å; L98-W109 HydrophobicContact CD1-CE3 3.69Å; L98-W109 HydrophobicContact CD1-CG 3.77Å; L98-W109 HydrophobicContact CD1-CZ3 4.4Å; L98-W109 HydrophobicContact CD2-CD2 3.8Å; L98-W109 HydrophobicContact CD2-CE3 4.38Å; L98-W109 HydrophobicContact CD2-CG 4.05Å; L98-W109 HydrophobicContact CD2-CZ2 4.03Å; L98-W109 HydrophobicContact CG-CD2 4.34Å; K105-W109 PolarHBondContact O-N 2.92Å; A106-W109 WeakPolarHBondContact O-CB 3.49Å; A106-W109 PolarHBondContact O-N 2.88Å; I107-W109 VanDerWaalsContact C-N 3.31Å; I107-W109 PolarHBondContact O-N 3.24Å; W109-I111 VanDerWaalsContact C-N 3.34Å; W109-I111 PolarHBondContact O-N 2.86Å; W109-R112 PolarHBondContact O-N 3.34Å; W109-R112 VanDerWaalsContact O-N 3.15Å; W109-A113 HydrophobicContact CD2-CB 4.46Å; W109-A113 HydrophobicContact CE3-CB 4.36Å; W109-A113 HydrophobicContact CH2-CB 4.13Å; W109-A113 HydrophobicContact CZ2-CB 4.23Å; W109-A113 HydrophobicContact CZ3-CB 4.19Å; W109-A113 WeakPolarHBondContact O-CB 3.44Å; W109-A113 PolarHBondContact O-N 2.98Å |
| 110 | L | 97.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 83 Ų | 83 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | -179.3 | -173.5 | 64.1 | 0 | 0 | 0 | 112 | A106 I107 R112 A113 A114 | A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 PolarHBondContact O-N 2.96Å; I107-L110 WeakPolarHBondContact O-CB 3.45Å; I107-L110 PolarHBondContact O-N 3.08Å; I107-L110 VanDerWaalsContact O-N 3.14Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-A113 PolarHBondContact O-N 3.22Å; L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.81Å |
| 111 | I | 97.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 86.6 Ų | 86.6 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.9 | -67.4 | 167.6 | 0 | 0 | 0 | 110.7 | I107 W109 A114 A115 I118 | I107-I111 HydrophobicContact CG2-CD1 3.98Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 2.88Å; W109-I111 VanDerWaalsContact C-N 3.34Å; W109-I111 PolarHBondContact O-N 2.86Å; I111-A114 PolarHBondContact O-N 2.85Å; I111-A115 PolarHBondContact O-N 3.13Å; I111-I118 HydrophobicContact CG2-CD1 4.08Å |
| 112 | R | 97.4 | Very high | 95.8 | Very high | 152 Ų | 152 | 84.3 Ų | 84.3 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -42.6 | 176 | -69.4 | 179.7 | -172.8 | 113.4 | -5.1 | 112.2 | E108 W109 L110 A114 A115 | E108-R112 VanDerWaalsContact CD-NH2 3.29Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 2.91Å; E108-R112 IonicContact OE1-CZ 3.38Å; E108-R112 IonicContact OE1-NH1 3.54Å; E108-R112 IonicContact OE1-NH2 3.89Å; E108-R112 PolarHBondContact OE1-NH2 3.38Å; E108-R112 IonicContact OE2-NH1 2.61Å; W109-R112 PolarHBondContact O-N 3.34Å; W109-R112 VanDerWaalsContact O-N 3.15Å; L110-R112 VanDerWaalsContact C-N 3.35Å; R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 2.76Å; R112-A115 VanDerWaalsContact O-CB 3.31Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 3.36Å |
| 113 | A | 96.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 84.5 Ų | 84.5 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | W109 L110 | W109-A113 HydrophobicContact CD2-CB 4.46Å; W109-A113 HydrophobicContact CE3-CB 4.36Å; W109-A113 HydrophobicContact CH2-CB 4.13Å; W109-A113 HydrophobicContact CZ2-CB 4.23Å; W109-A113 HydrophobicContact CZ3-CB 4.19Å; W109-A113 WeakPolarHBondContact O-CB 3.44Å; W109-A113 PolarHBondContact O-N 2.98Å; L110-A113 PolarHBondContact O-N 3.22Å |
| 114 | A | 96.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L110 I111 R112 A116 A117 I118 | L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.81Å; I111-A114 PolarHBondContact O-N 2.85Å; R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 2.76Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 2.9Å; A114-A117 WeakPolarHBondContact O-CA 3.4Å; A114-A117 WeakPolarHBondContact O-CB 2.89Å; A114-A117 PolarHBondContact O-N 3.01Å; A114-I118 HydrophobicContact CB-CD1 4.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.24Å; A114-I118 PolarHBondContact O-N 3.32Å |
| 115 | A | 97 | Very high | 93.1 | Very high | 40 Ų | 40 | 90 Ų | 90 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -52.4 | -45.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I111 R112 A117 I118 D119 | I111-A115 PolarHBondContact O-N 3.13Å; R112-A115 VanDerWaalsContact O-CB 3.31Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 3.36Å; A115-A117 VanDerWaalsContact C-N 3.27Å; A115-A117 PolarHBondContact O-N 3.41Å; A115-I118 WeakPolarHBondContact O-CB 3.46Å; A115-I118 PolarHBondContact O-N 2.72Å; A115-D119 VanDerWaalsContact O-CG 3.31Å; A115-D119 PolarHBondContact O-N 3.39Å |
| 116 | A | 95.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 89.3 Ų | 89.3 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | A114 | A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 2.9Å |
| 117 | A | 96.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 93.6 Ų | 93.6 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.8 | -31.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A114 A115 G120 | A114-A117 WeakPolarHBondContact O-CA 3.4Å; A114-A117 WeakPolarHBondContact O-CB 2.89Å; A114-A117 PolarHBondContact O-N 3.01Å; A115-A117 VanDerWaalsContact C-N 3.27Å; A115-A117 PolarHBondContact O-N 3.41Å; A117-G120 PolarHBondContact O-N 2.91Å |
| 118 | I | 95 | Very high | 87.2 | Confident | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.395 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.1 | -41.5 | 176 | -65.5 | 167.6 | 0 | 0 | 0 | 110.5 | I111 A114 A115 G120 L121 | I111-I118 HydrophobicContact CG2-CD1 4.08Å; A114-I118 HydrophobicContact CB-CD1 4.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.24Å; A114-I118 PolarHBondContact O-N 3.32Å; A115-I118 WeakPolarHBondContact O-CB 3.46Å; A115-I118 PolarHBondContact O-N 2.72Å; I118-G120 PolarHBondContact O-N 2.89Å; I118-L121 VanDerWaalsContact O-CB 3.3Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 WeakPolarHBondContact O-CG 3.43Å; I118-L121 PolarHBondContact O-N 3.49Å |
| 119 | D | 94.4 | Very high | 84.9 | Confident | 135 Ų | 135 | 97.7 Ų | 97.7 | 72% | 0.722 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.2 | -24.2 | 178.5 | -65.9 | -26.3 | 0 | 0 | 0 | 112.5 | A115 L121 | A115-D119 VanDerWaalsContact O-CG 3.31Å; A115-D119 PolarHBondContact O-N 3.39Å; D119-L121 VanDerWaalsContact C-N 3.32Å |
| 120 | G | 93.5 | Very high | 82.4 | Confident | 67 Ų | 67 | 100.9 Ų | 100.9 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -4.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | A117 I118 | A117-G120 PolarHBondContact O-N 2.91Å; I118-G120 PolarHBondContact O-N 2.89Å |
| 121 | L | 91.3 | Very high | 79.8 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -76.4 | 141.3 | 177.8 | -63 | 174.9 | 0 | 0 | 0 | 110.5 | I118 D119 S123 | I118-L121 VanDerWaalsContact O-CB 3.3Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 WeakPolarHBondContact O-CG 3.43Å; I118-L121 PolarHBondContact O-N 3.49Å; D119-L121 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.46Å |
| 122 | P | 91 | Very high | 77.3 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | | | trans | -60.5 | 132.3 | 173.5 | 26.4 | -33.4 | 0 | 0 | 0 | 109.3 | L124 | P122-L124 PolarHBondContact O-N 3.47Š|
| 123 | S | 83.7 | Confident | 74.7 | Confident | 115 Ų | 115 | 101 Ų | 101 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | | | trans | -52.2 | 108.2 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | L121 D125 | L121-S123 PolarHBondContact O-N 3.46Å; S123-D125 PolarHBondContact O-N 2.64Å |
| 124 | L | 76.7 | Confident | 72 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | | | trans | -75.1 | 98.9 | 175.4 | -60.8 | -178.8 | 0 | 0 | 0 | 107 | P122 C126 F128 | P122-L124 PolarHBondContact O-N 3.47Å; L124-C126 PolarHBondContact O-N 3.35Å; L124-F128 HydrophobicContact CD1-CE2 4.04Å; L124-F128 HydrophobicContact CD2-CE2 4.01Å; L124-F128 HydrophobicContact CG-CE2 4.45Å |
| 125 | D | 68.9 | Low | 69.6 | Low | 139 Ų | 139 | 104.6 Ų | 104.6 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | | | trans | -48.1 | 130.7 | 160.9 | -70.6 | -29.4 | 0 | 0 | 0 | 106.9 | S123 S127 | S123-D125 PolarHBondContact O-N 2.64Å; D125-S127 PolarHBondContact O-N 2.85Å |
| 126 | C | 57.1 | Low | 67.3 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -65.5 | 18.1 | -164.8 | -86.1 | 0 | 0 | 0 | 0 | 115.4 | L124 F128 | L124-C126 PolarHBondContact O-N 3.35Å; C126-F128 PolarHBondContact O-N 3.32Å |
| 127 | S | 54.4 | Low | 65.6 | Low | 90 Ų | 90 | 109.2 Ų | 109.2 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | | | trans | -97 | 40.7 | -174.8 | -145.9 | 0 | 0 | 0 | 0 | 113.8 | D125 V129 | D125-S127 PolarHBondContact O-N 2.85Å; S127-V129 PolarHBondContact O-N 3.02Å; S127-V129 WeakPolarHBondContact OG-CG2 3.32Å |
| 128 | F | 55.7 | Low | 63.6 | Low | 143 Ų | 143 | 112 Ų | 112 | 63% | 0.627 | 69% | 0.69 | S | S | * | * | | | trans | -73 | 75.1 | 152.8 | -84.4 | -81.5 | 0 | 0 | 0 | 107.3 | L124 C126 F130 | L124-F128 HydrophobicContact CD1-CE2 4.04Å; L124-F128 HydrophobicContact CD2-CE2 4.01Å; L124-F128 HydrophobicContact CG-CE2 4.45Å; C126-F128 PolarHBondContact O-N 3.32Å; F128-F130 PolarHBondContact O-N 2.84Å |
| 129 | V | 47.8 | Very low | 60.8 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | | | trans | -61 | 104.7 | 170.3 | 177.2 | 0 | 0 | 0 | 0 | 105.8 | S127 | S127-V129 PolarHBondContact O-N 3.02Å; S127-V129 WeakPolarHBondContact OG-CG2 3.32Å |
| 130 | F | 46.6 | Very low | 58.3 | Low | 182 Ų | 182 | 109.5 Ų | 109.5 | 80% | 0.798 | 71% | 0.714 | S | S | * | * | | | trans | -52.1 | 133.3 | 164.2 | -139.8 | -94.7 | 0 | 0 | 0 | 106.9 | F128 H132 | F128-F130 PolarHBondContact O-N 2.84Å; F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 2.71Å |
| 131 | P | 43.2 | Very low | 56 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | | | trans | -58.7 | 102 | 176.9 | 23.1 | -30.5 | 0 | 0 | 0 | 107.4 | A133 | P131-A133 PolarHBondContact O-N 2.72Š|
| 132 | H | 43.9 | Very low | 54 | Low | 135 Ų | 135 | 109.8 Ų | 109.8 | 63% | 0.625 | 73% | 0.727 | S | S | * | * | | | trans | -64.3 | 107.3 | 170 | 176.9 | 33.1 | 0 | 0 | 0 | 104.9 | F130 A134 | F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 2.71Å; H132-A134 PolarHBondContact O-N 3.11Å |
| 133 | A | 42.4 | Very low | 52.2 | Low | 81 Ų | 81 | 112 Ų | 112 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | trans | -42.6 | 114.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P131 A135 | P131-A133 PolarHBondContact O-N 2.72Å; A133-A135 PolarHBondContact O-N 2.91Å |
| 134 | A | 40.4 | Very low | 50.4 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 88% | 0.876 | 74% | 0.737 | S | S | * | * | | | trans | 41.9 | 74.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H132 | H132-A134 PolarHBondContact O-N 3.11Š|
| 135 | A | 45.9 | Very low | 49.7 | Very low | 71 Ų | 71 | 114 Ų | 114 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | | | trans | -103.5 | 110 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | A133 | A133-A135 PolarHBondContact O-N 2.91Š|
| 136 | S | 48.8 | Very low | 48.5 | Very low | 105 Ų | 105 | 116 Ų | 116 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -40 | 142.4 | 175.8 | 46 | 0 | 0 | 0 | 0 | 115.2 | | |
| 137 | P | 59.4 | Low | 48.3 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 139.2 | 170 | 29 | -32.3 | 0 | 0 | 0 | 110.3 | G139 | P137-G139 PolarHBondContact O-N 3.48Š|
| 138 | P | 54.7 | Low | 47.6 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121.8 | 171.3 | 28.9 | -30.3 | 0 | 0 | 0 | 109.4 | | |
| 139 | G | 37.9 | Very low | 47.3 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 150.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P137 | P137-G139 PolarHBondContact O-N 3.48Š|
| 140 | G | 41.6 | Very low | 47.3 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 111.8 | 135.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 141 | A | 43.6 | Very low | 47.5 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | cis | -171.3 | 144.9 | -0.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 142 | A | 49.4 | Very low | 47.4 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | 63.2 | 150.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 143 | D | 53.9 | Low | 48 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | cis | -157.9 | 159.8 | 25.6 | -1.5 | -68.6 | 0 | 0 | 0 | 108.7 | | |
| 144 | D | 46.5 | Very low | 48.4 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | -58.3 | 135.5 | -174 | -51.7 | -90.3 | 0 | 0 | 0 | 115.9 | | |
| 145 | A | 60.6 | Low | 48.8 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -170.8 | 122.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 146 | E | 44.6 | Very low | 48.9 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -60.8 | 146.9 | 170.8 | -73.8 | -147.3 | 125.1 | 0 | 0 | 114.8 | | |
| 147 | L | 53.2 | Low | 48.6 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | | 168.7 | 105.3 | 125.8 | -108.5 | 90.3 | 0 | 0 | 0 | 107.7 | | |
| 148 | S | 39.4 | Very low | 48.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | | 63.7 | 98.2 | 91.9 | -155.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 149 | T | 50.4 | Low | 47.6 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | | 172.9 | 141.2 | 112.7 | 35.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 150 | S | 46 | Very low | 48.1 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -48.6 | 159.1 | 174.8 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 151 | E | 51.7 | Low | 48.4 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | | -172.9 | 139.1 | 72 | -71.4 | -176.4 | 130.2 | 0 | 0 | 111.9 | | |
| 152 | T | 41.4 | Very low | 48.3 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | 65.7 | 131.4 | 138 | -159.1 | 0 | 0 | 0 | 0 | 124.6 | | |
| 153 | S | 55.8 | Low | 48.1 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | | | trans | 95.1 | 79.1 | 147.1 | -60.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 154 | K | 51.2 | Low | 47.6 | Very low | 199 Ų | 199 | 133 Ų | 133 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | | 43.2 | 130.7 | 115.7 | -64.8 | 171.1 | -178.2 | 155.4 | 0 | 120.7 | | |
| 155 | S | 47.9 | Very low | 47.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | 78.6 | 133.7 | 158.8 | 78.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 156 | S | 48.4 | Very low | 46.8 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | cis | -152.8 | 132.1 | 31.6 | 176 | 0 | 0 | 0 | 0 | 109.5 | | |
| 157 | V | 42.6 | Very low | 46.8 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | | | trans | -93.4 | 115.2 | 173.6 | -77 | 0 | 0 | 0 | 0 | 108.7 | | |
| 158 | L | 48.8 | Very low | 46.3 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -114.3 | 84.3 | 162.7 | -71.2 | -178.7 | 0 | 0 | 0 | 108.4 | L160 | L158-L160 PolarHBondContact O-N 2.72Š|
| 159 | S | 45 | Very low | 46.3 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -78.1 | 107.4 | 164.9 | -63.2 | 0 | 0 | 0 | 0 | 108.5 | A161 | S159-A161 PolarHBondContact O-N 3.47Š|
| 160 | L | 48.5 | Very low | 45.7 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | -89.6 | 93.9 | 162.9 | -131 | 73.4 | 0 | 0 | 0 | 107.8 | L158 | L158-L160 PolarHBondContact O-N 2.72Š|
| 161 | A | 47.2 | Very low | 45.5 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -69.8 | 124.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S159 A163 | S159-A161 PolarHBondContact O-N 3.47Å; A161-A163 PolarHBondContact O-N 3.43Å |
| 162 | N | 42.6 | Very low | 45.1 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -68 | 109.2 | 165.2 | -75.2 | -18.2 | 0 | 0 | 0 | 108.2 | | |
| 163 | A | 44.4 | Very low | 45.3 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -74.1 | 130.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | A161 | A161-A163 PolarHBondContact O-N 3.43Š|
| 164 | P | 43.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -78.4 | 131.5 | 164.5 | 31.2 | -28.8 | 0 | 0 | 0 | 109.1 | D166 | P164-D166 PolarHBondContact O-N 2.99Š|
| 165 | V | 50.8 | Low | 44.2 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | trans | -83.9 | 106.2 | 172.8 | -72.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 166 | D | 40 | Very low | 43.9 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -76.9 | 124.2 | 159.2 | -69.1 | -44.5 | 0 | 0 | 0 | 108.4 | P164 | P164-D166 PolarHBondContact O-N 2.99Š|
| 167 | N | 44.6 | Very low | 43.7 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -147.8 | 86.1 | 154.9 | -106.4 | -12 | 0 | 0 | 0 | 108.7 | A169 | N167-A169 PolarHBondContact O-N 3.03Š|
| 168 | T | 41.2 | Very low | 43.4 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -74.6 | 98.5 | 161.5 | 38.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 169 | A | 39.8 | Very low | 43 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | -161.5 | 119.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N167 | N167-A169 PolarHBondContact O-N 3.03Š|
| 170 | A | 38.2 | Very low | 43.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | 63.9 | 98.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 171 | H | 40.9 | Very low | 42.9 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | | -159.9 | 117.7 | 117.3 | -145.2 | 45.5 | 0 | 0 | 0 | 112.3 | | |
| 172 | S | 43.6 | Very low | 42.7 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | -78 | 142.2 | 163.4 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 173 | Q | 47.3 | Very low | 42.4 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 73.4 | 125.1 | 150.3 | -81.7 | 177.5 | -19.6 | 0 | 0 | 120.9 | | |
| 174 | Q | 43.8 | Very low | 42 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 96.1 | 112.2 | 133.3 | -81.6 | 178.3 | -60.8 | 0 | 0 | 121.3 | | |
| 175 | D | 39.1 | Very low | 41.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | | 89.9 | 133 | 125.8 | -69.2 | -32.2 | 0 | 0 | 0 | 121.5 | | |
| 176 | S | 42.5 | Very low | 41.1 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 107.1 | 81.7 | 147.7 | -51 | 0 | 0 | 0 | 0 | 119.2 | | |
| 177 | H | 43.6 | Very low | 40.9 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | | | | 25.2 | 114.5 | 120.6 | -64.1 | -77.2 | 0 | 0 | 0 | 121.1 | | |
| 178 | A | 36.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | | 51.6 | 117.2 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 179 | Y | 40.8 | Very low | 40.4 | Very low | 227 Ų | 227 | 123.8 Ų | 123.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -151.1 | 112.3 | 130.2 | -80.3 | -74.2 | 0 | 0 | 0 | 109.8 | | |
| 180 | N | 45.3 | Very low | 40.5 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -128.4 | 114.4 | 160 | -174.4 | 10.9 | 0 | 0 | 0 | 107.5 | | |
| 181 | N | 44.8 | Very low | 40.6 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -108.2 | 107.1 | 172.6 | -77.7 | -43.6 | 0 | 0 | 0 | 107.6 | | |
| 182 | N | 44 | Very low | 40.4 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -150.3 | 102.3 | 140.7 | -126.8 | -11.6 | 0 | 0 | 0 | 109.6 | | |
| 183 | A | 34.9 | Very low | 40.5 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -85.1 | 126.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 184 | A | 36.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -171 | 120.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 185 | A | 38.5 | Very low | 40.3 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | 55.4 | 106.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 186 | G | 36.8 | Very low | 40.3 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | | 82.9 | 97.8 | 83.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 187 | G | 35.3 | Very low | 39.9 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | | 109 | 120.7 | 66.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 188 | G | 35.7 | Very low | 39.6 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | 128.4 | 87.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 189 | A | 41.5 | Very low | 39.7 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -79.5 | 138 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 190 | F | 40.9 | Very low | 39.6 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | | -172.3 | 136.2 | 124.9 | 64.3 | -79.6 | 0 | 0 | 0 | 109.2 | | |
| 191 | A | 41.1 | Very low | 39.4 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -65.6 | 139.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 192 | D | 36.7 | Very low | 39.2 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -175 | 154 | 141.8 | -99.5 | -35.1 | 0 | 0 | 0 | 112.2 | | |
| 193 | L | 44 | Very low | 39.2 | Very low | 159 Ų | 159 | 120.6 Ų | 120.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | 92.3 | 63.6 | 167.9 | -136.7 | 62.5 | 0 | 0 | 0 | 117.8 | | |
| 194 | I | 47.9 | Very low | 39.9 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | | -31.4 | 132.7 | 125.8 | -72.2 | 178.9 | 0 | 0 | 0 | 111.5 | | |
| 195 | L | 40.3 | Very low | 39.8 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 28.8 | 120.9 | 157.9 | -80.9 | 78.1 | 0 | 0 | 0 | 116.5 | | |
| 196 | H | 39 | Very low | 39.9 | Very low | 178 Ų | 178 | 128 Ų | 128 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | | 172.2 | 159.8 | 129.9 | -87.9 | 103.7 | 0 | 0 | 0 | 108.6 | | |
| 197 | C | 34 | Very low | 40.2 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | 90.3 | 127 | 178.8 | -43.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 198 | S | 36.5 | Very low | 40.3 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | cis | -170 | 143.3 | -19.8 | -136.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 199 | A | 39 | Very low | 40.4 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | -65.9 | 136.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 200 | N | 39.3 | Very low | 40.4 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | 178.5 | 106.8 | 128.4 | 57.1 | 1.7 | 0 | 0 | 0 | 111.9 | | |
| 201 | N | 40.1 | Very low | 40.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -153.8 | 106.1 | 137.3 | -122.1 | -31.6 | 0 | 0 | 0 | 111.8 | | |
| 202 | S | 41.7 | Very low | 40.5 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | 44 | 106.7 | 133.7 | -55 | 0 | 0 | 0 | 0 | 120.3 | | |
| 203 | S | 44 | Very low | 40.4 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | | 85.5 | 113.1 | 122.9 | 70.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 204 | K | 50 | Low | 40.3 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | 78 | 115.1 | 150 | -58.1 | -180 | -176.3 | -178.1 | 0 | 119.4 | | |
| 205 | P | 34.4 | Very low | 40.2 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -114.3 | 123.6 | 153.1 | 34.3 | -21.2 | 0 | 0 | 0 | 111.1 | | |
| 206 | V | 40.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | | | trans | -143.1 | 111.5 | 167.5 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 207 | Q | 41.2 | Very low | 40.7 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | 62.4 | 105.2 | 133.8 | -150.8 | 164.5 | 15.7 | 0 | 0 | 119.3 | | |
| 208 | Q | 38.7 | Very low | 41.3 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | | 78.5 | 104.9 | 85.2 | -148.4 | -169.9 | -5.5 | 0 | 0 | 114 | | |
| 209 | Q | 37.7 | Very low | 42.6 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | | 158.7 | 153.9 | 114.4 | -85.7 | -150.2 | -4.6 | 0 | 0 | 113.5 | | |
| 210 | P | 40.6 | Very low | 42.9 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -104.4 | 161.4 | -157.2 | 39.4 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 211 | T | 39.6 | Very low | 43.1 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | 46.1 | 109 | 141.1 | -49.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 212 | L | 46 | Very low | 42.9 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -112.2 | 113.9 | 158.8 | -130.4 | 171.1 | 0 | 0 | 0 | 108.9 | | |
| 213 | A | 32.9 | Very low | 43.3 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -80.3 | 139.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 214 | Y | 41.7 | Very low | 43 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -148 | 112 | 165.2 | -151.7 | -91.9 | 0 | 0 | 0 | 111.1 | | |
| 215 | Y | 46 | Very low | 42.4 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | trans | 12.7 | 146 | 149.5 | -48.6 | -87.4 | 0 | 0 | 0 | 118.8 | | |
| 216 | A | 42.8 | Very low | 42.4 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | cis | -175.5 | 143.7 | 41 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 217 | T | 47.2 | Very low | 42.4 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | | | trans | 62.5 | 109 | 135 | 60.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 218 | Q | 47.3 | Very low | 42.9 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | | | trans | -71.9 | 159.6 | 151.9 | -121.9 | 174 | 1.2 | 0 | 0 | 111.6 | | |
| 219 | P | 62.8 | Low | 42.6 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -130.5 | 155 | 141 | 36.4 | -25.4 | 0 | 0 | 0 | 113.5 | | |
| 220 | P | 45.9 | Very low | 42.9 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -97.6 | 148.7 | 176.7 | 37.5 | -30.1 | 0 | 0 | 0 | 112.2 | | |
| 221 | N | 42.9 | Very low | 42.8 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -177.2 | 103.8 | 153.2 | -99.3 | -14.5 | 0 | 0 | 0 | 106.8 | | |
| 222 | A | 35.9 | Very low | 43.1 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | | 42.6 | 103.5 | 79.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 223 | H | 50.3 | Low | 42.8 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -164.5 | 126.8 | 136.8 | -63.8 | -49.2 | 0 | 0 | 0 | 109.5 | | |
| 224 | S | 38.6 | Very low | 43.3 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -50.1 | 148.7 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 225 | A | 38 | Very low | 43.5 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | | 171.5 | 138 | 111.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 226 | S | 33.5 | Very low | 43.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -60.6 | 146 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 227 | A | 41.4 | Very low | 43 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -147.4 | 94.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | I | 51.3 | Low | 42.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | trans | 54.3 | 114.6 | 132.8 | 65.2 | 177.8 | 0 | 0 | 0 | 120.9 | | |
| 229 | S | 33.3 | Very low | 42.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | -63.9 | 143.6 | 158.4 | -49.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 230 | F | 44 | Very low | 41.4 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | | | trans | -148.7 | 94.4 | 159.2 | 161.7 | -100 | 0 | 0 | 0 | 104.4 | | |
| 231 | E | 37.5 | Very low | 41 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 56.9 | 138.6 | 83.9 | -141.1 | -164.2 | 134.8 | 0 | 0 | 114.8 | | |
| 232 | T | 45.3 | Very low | 40.6 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 52% | 0.521 | 75% | 0.747 | S | S | . | * | | | trans | 109 | 90.2 | 148 | -44.6 | 0 | 0 | 0 | 0 | 117 | | |
| 233 | M | 39.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | | | | 65.9 | 119.8 | 129.9 | -63.8 | -175.2 | 177 | 0 | 0 | 120.2 | | |
| 234 | L | 43.6 | Very low | 40.1 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | | | | -167.3 | 148.4 | 113.6 | -97 | 147.9 | 0 | 0 | 0 | 111.2 | | |
| 235 | P | 46.5 | Very low | 40.1 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | | | trans | -98.7 | 155.4 | -144.9 | 37.6 | -37 | 0 | 0 | 0 | 115.5 | F237 | P235-F237 PolarHBondContact O-N 2.82Š|
| 236 | H | 38.7 | Very low | 40.2 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | | | trans | -61.9 | 114.3 | 163.9 | -176.8 | 73.9 | 0 | 0 | 0 | 111.1 | S238 | H236-S238 PolarHBondContact NE2-OG 2.98Å; H236-S238 PolarHBondContact O-N 3.48Å |
| 237 | F | 39 | Very low | 40.2 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | | | trans | -90.1 | 94.3 | 163.3 | -82 | -80.5 | 0 | 0 | 0 | 109.1 | P235 | P235-F237 PolarHBondContact O-N 2.82Š|
| 238 | S | 34.5 | Very low | 40.1 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | | | trans | -92.8 | 108.8 | 153.1 | -83.7 | 0 | 0 | 0 | 0 | 107.3 | H236 | H236-S238 PolarHBondContact NE2-OG 2.98Å; H236-S238 PolarHBondContact O-N 3.48Å |
| 239 | F | 46.3 | Very low | 39.5 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | | | trans | -101.5 | 107.4 | 166.9 | -177.3 | -104.8 | 0 | 0 | 0 | 107.8 | | |
| 240 | L | 42.5 | Very low | 39.9 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | trans | -78.7 | 159.8 | 169.3 | -66 | -152.7 | 0 | 0 | 0 | 110.8 | | |
| 241 | Q | 38 | Very low | 40 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | | 110.8 | 107.5 | 128.7 | -153.9 | 72.1 | 34.6 | 0 | 0 | 116.5 | | |
| 242 | E | 34.1 | Very low | 40.3 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | trans | 77.5 | 103.1 | 146.5 | -68.3 | -89.2 | 110.6 | 0 | 0 | 119.1 | | |
| 243 | Q | 38.9 | Very low | 40.3 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | | 72.7 | 152.1 | 83.5 | -94.5 | -145 | 56.4 | 0 | 0 | 115 | | |
| 244 | P | 37.9 | Very low | 40.5 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | | | cis | -139.1 | -178 | -26.7 | 23.9 | 1.6 | 0 | 0 | 0 | 114.7 | | |
| 245 | H | 37.5 | Very low | 40.6 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | 87.5 | 101.5 | 159.4 | -42.9 | -62.9 | 0 | 0 | 0 | 120.2 | | |
| 246 | H | 40.1 | Very low | 40.4 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | | -175.2 | 122.9 | 97.8 | 51.1 | -82.8 | 0 | 0 | 0 | 109.8 | | |
| 247 | A | 33.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | -72.7 | 124.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 248 | I | 40.5 | Very low | 41.1 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 68% | 0.677 | 76% | 0.761 | S | S | * | * | | | trans | -120.4 | 92.8 | 156.2 | -59.4 | -176.2 | 0 | 0 | 0 | 106.1 | F250 | I248-F250 HydrophobicContact CG2-CD2 4.19Å; I248-F250 HydrophobicContact CG2-CE2 4.13Å |
| 249 | A | 38.1 | Very low | 41.7 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -70.9 | 121.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D251 | A249-D251 PolarHBondContact O-N 3.43Š|
| 250 | F | 40.8 | Very low | 41.7 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | | | trans | -88.8 | 96.1 | 164.4 | -98.9 | -86.1 | 0 | 0 | 0 | 108.3 | I248 R252 | I248-F250 HydrophobicContact CG2-CD2 4.19Å; I248-F250 HydrophobicContact CG2-CE2 4.13Å; F250-R252 PolarHBondContact O-N 3.21Å |
| 251 | D | 47.7 | Very low | 41.8 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -72.1 | 118 | 166.9 | -121.3 | -28.4 | 0 | 0 | 0 | 108.7 | A249 G253 | A249-D251 PolarHBondContact O-N 3.43Å; D251-G253 PolarHBondContact O-N 3.4Å |
| 252 | R | 43.1 | Very low | 41.9 | Very low | 250 Ų | 250 | 138.3 Ų | 138.3 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | | | trans | -82.7 | 69.1 | 173 | -159.3 | 176.5 | -176 | 135.5 | -0.7 | 108.2 | F250 | F250-R252 PolarHBondContact O-N 3.21Š|
| 253 | G | 44.4 | Very low | 42.4 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | -82 | 128 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D251 | D251-G253 PolarHBondContact O-N 3.4Š|
| 254 | T | 45.5 | Very low | 42.8 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -64 | 132.2 | 175.3 | 52 | 0 | 0 | 0 | 0 | 112.4 | | |
| 255 | L | 44.7 | Very low | 43.4 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -140.7 | 101.3 | 156 | -76 | -178.1 | 0 | 0 | 0 | 110.5 | | |
| 256 | Q | 43.4 | Very low | 43.3 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | -79.5 | 121.3 | 149.7 | -83.4 | 172.6 | -65 | 0 | 0 | 107.8 | | |
| 257 | S | 46.5 | Very low | 43.5 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -157.5 | 137.2 | 150.1 | -25.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 258 | N | 46 | Very low | 44 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -64 | 146.2 | -176.7 | -54.5 | -66.7 | 0 | 0 | 0 | 113.6 | | |
| 259 | A | 46.7 | Very low | 44.3 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -171.4 | 138.1 | 132.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 260 | A | 46.2 | Very low | 44.7 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -75 | 172.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 261 | V | 45.2 | Very low | 44.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | 95.5 | 97.2 | 159.5 | -169.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 262 | A | 39.3 | Very low | 44.7 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | | 157 | 113.5 | 115 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 263 | A | 45 | Very low | 44.7 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -74.5 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 264 | P | 47.3 | Very low | 44.8 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | | -141.3 | 140.5 | 80.5 | 29.2 | -8.9 | 0 | 0 | 0 | 115.7 | | |
| 265 | L | 50.1 | Low | 44.9 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127.6 | 164.2 | -177 | 78.4 | 0 | 0 | 0 | 109.8 | P267 | L265-P267 WeakPolarHBondContact O-CD 3.39Š|
| 266 | W | 34.7 | Very low | 45.2 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 120.1 | 161.5 | -65.4 | -68.2 | 0 | 0 | 0 | 109.2 | | |
| 267 | P | 44.5 | Very low | 45.1 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 147.7 | 168.2 | 17.1 | 1.1 | 0 | 0 | 0 | 111.5 | L265 | L265-P267 WeakPolarHBondContact O-CD 3.39Š|
| 268 | T | 44 | Very low | 44.8 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 171.1 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 269 | S | 47.8 | Very low | 44.8 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 95.2 | 96.9 | 165.1 | -139.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 270 | Q | 46.9 | Very low | 44.7 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | | 79.3 | 135.2 | 90.7 | -70.8 | -174.9 | -1.7 | 0 | 0 | 115.1 | | |
| 271 | H | 43.1 | Very low | 45 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | | | trans | 96.6 | 97.6 | 162.4 | -57.9 | -74.1 | 0 | 0 | 0 | 120 | | |
| 272 | A | 45.2 | Very low | 45.5 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | | 34.4 | 122.2 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 273 | C | 42.6 | Very low | 46.2 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | | 178.4 | 131.8 | 111.4 | -120.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 274 | L | 47.1 | Very low | 46 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | 64.9 | 104.3 | 143.9 | -59.9 | 168.6 | 0 | 0 | 0 | 119.1 | | |
| 275 | L | 47.6 | Very low | 46.2 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | | 62.9 | 138.7 | 81.4 | -95.8 | 139 | 0 | 0 | 0 | 115.8 | | |
| 276 | Q | 50.3 | Low | 46.2 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | 102.9 | 130.8 | 173.5 | -59.2 | -159.7 | 19.2 | 0 | 0 | 113.6 | | |
| 277 | R | 40.8 | Very low | 46.8 | Very low | 213 Ų | 213 | 129.3 Ų | 129.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | cis | -162.9 | 159.3 | 13.3 | -140.8 | 167.8 | -172.9 | 153.1 | -5 | 110.9 | | |
| 278 | F | 41.3 | Very low | 47.3 | Very low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | -60.3 | 160.9 | -175.6 | -72.5 | -100.4 | 0 | 0 | 0 | 118.5 | | |
| 279 | A | 46.3 | Very low | 47.8 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | 136.3 | 133.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 280 | A | 44.6 | Very low | 47.8 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | cis | -155.6 | 170.6 | 15.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 281 | S | 52.3 | Low | 47.9 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -105 | -160.6 | -162.5 | -158.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 282 | P | 55.9 | Low | 48 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | -131.6 | -145.3 | -107.9 | 45.1 | -23.7 | 0 | 0 | 0 | 112 | | |
| 283 | A | 52.3 | Low | 48.2 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | 95.2 | 144.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 284 | D | 42.4 | Very low | 48.2 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | cis | -177.8 | 178.1 | -17.2 | -159.4 | -11.5 | 0 | 0 | 0 | 104.5 | | |
| 285 | A | 51 | Low | 48.1 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | | | trans | 101.2 | 83.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 286 | T | 48.8 | Very low | 47.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | | 41.2 | 121 | 111.8 | 57 | 0 | 0 | 0 | 0 | 120.8 | | |
| 287 | G | 47.3 | Very low | 47.6 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 174.3 | 91.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 288 | L | 55.4 | Low | 47.9 | Very low | 170 Ų | 170 | 125 Ų | 125 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -92.5 | 178 | 171.4 | -76.7 | -180 | 0 | 0 | 0 | 111 | | |
| 289 | P | 54.9 | Low | 47.9 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | | | | -119.5 | 175.4 | -111.6 | 20.1 | 7.9 | 0 | 0 | 0 | 111.6 | | |
| 290 | S | 47.8 | Very low | 47.8 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -151.4 | 124.1 | 164.2 | -75.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 291 | F | 48.2 | Very low | 48 | Very low | 191 Ų | 191 | 119.9 Ų | 119.9 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -39.3 | 140.9 | 165.5 | -49.3 | -94.6 | 0 | 0 | 0 | 114 | | |
| 292 | F | 46.4 | Very low | 48 | Very low | 215 Ų | 215 | 120.3 Ų | 120.3 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | | | trans | -155.6 | 137.2 | 133.4 | -124.8 | -88.3 | 0 | 0 | 0 | 112.7 | | |
| 293 | L | 49 | Very low | 47.6 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | | | trans | -74.2 | 144.5 | -178.3 | -166.8 | 75.3 | 0 | 0 | 0 | 110.7 | | |
| 294 | G | 42.8 | Very low | 47.4 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -174.8 | 113.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 295 | S | 44.3 | Very low | 47.5 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -98.4 | 157.4 | -172.5 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 296 | G | 42 | Very low | 47.2 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | 101.6 | 151.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 297 | A | 46.8 | Very low | 46.9 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | cis | -174.9 | 146.2 | -17.1 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 298 | A | 45.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | 60.6 | 127 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 299 | G | 41.5 | Very low | 46.6 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | 125.6 | 123.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 300 | A | 45 | Very low | 46.5 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | 88.7 | 106.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 301 | S | 48.1 | Very low | 46.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -61.3 | 150.8 | 159.2 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 302 | P | 51.4 | Low | 46.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | | -142.3 | 134.5 | 119.3 | 32.7 | -17 | 0 | 0 | 0 | 115.2 | | |
| 303 | V | 48.5 | Very low | 46.8 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | 23.8 | 111.4 | 135.6 | 179.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 304 | V | 49.1 | Very low | 46.3 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | | 40.5 | 130.7 | 126.4 | -171.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 305 | P | 43.8 | Very low | 46.5 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | | -148.3 | 153.9 | 59.8 | 35.7 | -13.1 | 0 | 0 | 0 | 120.1 | | |
| 306 | A | 45 | Very low | 46.9 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 30.5 | 130.9 | 140 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 307 | N | 41.3 | Very low | 47.5 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | 83.4 | 88.6 | 152.1 | -156.1 | 0.3 | 0 | 0 | 0 | 117 | | |
| 308 | A | 44.9 | Very low | 48 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -156.4 | 82.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 309 | E | 52 | Low | 48.6 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -75.2 | 129.6 | 157.8 | -73.8 | -139.2 | 142.5 | 0 | 0 | 109.2 | R311 | E309-R311 PolarHBondContact O-N 3.42Š|
| 310 | P | 52.4 | Low | 49 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -81 | 91.8 | 177 | 32.5 | -29.7 | 0 | 0 | 0 | 108.6 | L312 | P310-L312 PolarHBondContact O-N 3.47Š|
| 311 | R | 46.5 | Very low | 49.4 | Very low | 212 Ų | 212 | 153.6 Ų | 153.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -73 | 78.6 | 165.4 | -161.4 | 179.5 | -179.2 | 167.4 | -1 | 108.5 | E309 Q313 | E309-R311 PolarHBondContact O-N 3.42Å; R311-Q313 HydrophobicContact CG-CG 4.19Å; R311-Q313 PolarHBondContact O-N 3.41Å |
| 312 | L | 48.3 | Very low | 50.2 | Low | 163 Ų | 163 | 157.7 Ų | 157.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -65.5 | 84 | 163 | -90.3 | 148.7 | 0 | 0 | 0 | 107.8 | P310 | P310-L312 PolarHBondContact O-N 3.47Š|
| 313 | Q | 54 | Low | 50.3 | Low | 138 Ų | 138 | 162.1 Ų | 162.1 | 65% | 0.645 | 82% | 0.82 | S | S | * | * | | | trans | -67.5 | 151.4 | 155.2 | -70.1 | -172 | -32.6 | 0 | 0 | 108.8 | R311 | R311-Q313 HydrophobicContact CG-CG 4.19Å; R311-Q313 PolarHBondContact O-N 3.41Å |
| 314 | L | 38.5 | Very low | 50.4 | Low | 131 Ų | 131 | 163.6 Ų | 163.6 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | | | trans | 107.9 | 90.8 | 146 | -145.8 | 65.7 | 0 | 0 | 0 | 115 | D316 | L314-D316 HydrophobicContact CD2-CB 4.14Å; L314-D316 WeakPolarHBondContact CD2-OD2 3.09Å; L314-D316 HydrophobicContact CG-CB 3.96Å; L314-D316 WeakPolarHBondContact CG-OD2 3.46Å; L314-D316 PolarHBondContact O-N 3.43Å |
| 315 | W | 46.8 | Very low | 50.5 | Low | 256 Ų | 256 | 165.5 Ų | 165.5 | 97% | 0.97 | 82% | 0.823 | S | S | * | * | | | trans | -54.2 | 85.5 | 144.5 | -69.6 | 70 | 0 | 0 | 0 | 109 | | |
| 316 | D | 53.5 | Low | 50.9 | Low | 122 Ų | 122 | 168.3 Ų | 168.3 | 65% | 0.652 | 83% | 0.827 | S | S | * | * | | | trans | -146.9 | 79.9 | 161.9 | -90.7 | -38.8 | 0 | 0 | 0 | 107.9 | L314 | L314-D316 HydrophobicContact CD2-CB 4.14Å; L314-D316 WeakPolarHBondContact CD2-OD2 3.09Å; L314-D316 HydrophobicContact CG-CB 3.96Å; L314-D316 WeakPolarHBondContact CG-OD2 3.46Å; L314-D316 PolarHBondContact O-N 3.43Å |
| 317 | F | 53.5 | Low | 51.2 | Low | 183 Ų | 183 | 172.7 Ų | 172.7 | 80% | 0.803 | 83% | 0.831 | S | S | * | * | | | trans | -134 | 112.9 | 164.6 | -145.4 | -113.3 | 0 | 0 | 0 | 110.3 | | |
| 318 | K | 59.3 | Low | 51.8 | Low | 154 Ų | 154 | 173.6 Ų | 173.6 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | | | trans | 96.2 | 76.4 | 139.7 | -143.7 | 135.4 | 175.3 | 172.9 | 0 | 117.4 | | |
| 319 | Q | 56.3 | Low | 52.3 | Low | 186 Ų | 186 | 178.7 Ų | 178.7 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | | | | -64.4 | 158.9 | 128 | -75.6 | -75.8 | 22.3 | 0 | 0 | 109.6 | | |
| 320 | E | 51.3 | Low | 52.3 | Low | 174 Ų | 174 | 178.4 Ų | 178.4 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | | | trans | 106.1 | 78.4 | 165.8 | -155.3 | 145.1 | -147.6 | 0 | 0 | 116.8 | | |
| 321 | R | 52.5 | Low | 52.3 | Low | 246 Ų | 246 | 183.5 Ų | 183.5 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | | | trans | -143.3 | 101.6 | 135 | -77.5 | -160.8 | 179.2 | 154.5 | 0.4 | 109.2 | | |
| 322 | K | 64.5 | Low | 52.8 | Low | 209 Ų | 209 | 181.2 Ų | 181.2 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | | | trans | -150.8 | 89.6 | 158.1 | -140.8 | 172.7 | -177.8 | 179.7 | 0 | 108.1 | | |
| 323 | T | 55.1 | Low | 53.2 | Low | 212 Ų | 212 | 182.8 Ų | 182.8 | 100% | 1.301 | 84% | 0.84 | S | S | * | * | | | trans | -103.3 | 0 | 149.3 | 51.8 | 0 | 0 | 0 | 0 | 106.6 | | |