| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 44.5 | Very low | 226 Ų | 226 | 135.3 Ų | 135.3 | 100% | 1.113 | 87% | 0.868 | S | S | * | * | 0 | 116.6 | 0 | -66.3 | 153.8 | 81.4 | 0 | 0 | 105.8 | |||||
| 2 | I | 38.7 | Very low | 44.5 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 86% | 0.862 | 86% | 0.856 | S | S | * | * | 57.5 | 118.9 | 91.3 | -55.9 | 169.4 | 0 | 0 | 0 | 109.2 | |||||
| 3 | A | 44.2 | Very low | 44.5 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 81% | 0.81 | 84% | 0.844 | S | S | * | * | cis | -131.3 | 165.5 | 37.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | T | 48.6 | Very low | 44.3 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | -113.4 | 153.9 | 178.9 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | G | 39.8 | Very low | 44.4 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 88% | 0.876 | 85% | 0.847 | S | S | * | * | trans | 112.4 | 147.4 | 154 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 6 | G | 41.3 | Very low | 44.5 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | trans | 153.2 | 5.7 | 172 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 7 | V | 44.5 | Very low | 44.3 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 85% | 0.853 | S | S | * | * | trans | -121.7 | 37.7 | -170.3 | -152.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 8 | I | 54.2 | Low | 43.7 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 85% | 0.851 | 86% | 0.856 | S | S | * | * | trans | -138.1 | 49.8 | -175.7 | -33.2 | 178.3 | 0 | 0 | 0 | 113.6 | ||||
| 9 | T | 51.1 | Low | 43.3 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 75% | 0.748 | 86% | 0.856 | S | S | * | * | trans | -139.2 | 3.3 | 177.3 | -7.6 | 0 | 0 | 0 | 0 | 115.7 | L11 | T9-L11 PolarHBondContact O-N 3.46Š| ||
| 10 | G | 45.3 | Very low | 42.8 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -12.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 11 | L | 46 | Very low | 42.2 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 94% | 0.942 | 86% | 0.859 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -4.4 | -167.1 | -80.8 | 165.2 | 0 | 0 | 0 | 115.9 | T9 | T9-L11 PolarHBondContact O-N 3.46Š|
| 12 | A | 44.6 | Very low | 42.1 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -99.4 | -16.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 13 | A | 44.1 | Very low | 41.8 | Very low | 85 Ų | 85 | 143 Ų | 143 | 70% | 0.702 | 85% | 0.845 | S | S | * | * | trans | -87 | -12.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K15 | A13-K15 PolarHBondContact O-N 3.35Š| ||
| 14 | L | 42.3 | Very low | 41.2 | Very low | 184 Ų | 184 | 146 Ų | 146 | 96% | 0.963 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -80.3 | 41.8 | -179.1 | -156.7 | 77.2 | 0 | 0 | 0 | 113.1 | ||
| 15 | K | 45.2 | Very low | 40.4 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 76% | 0.761 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -155 | 113.8 | 179.3 | -163.2 | 170.6 | -174.1 | 175.4 | 0 | 110.4 | A13 | A13-K15 PolarHBondContact O-N 3.35Š|
| 16 | R | 45.9 | Very low | 40 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | 84.3 | 64.9 | -175.8 | -49.6 | 177 | -177.7 | -147.1 | 2.5 | 116.2 | ||||
| 17 | Q | 41.5 | Very low | 39.3 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -122 | 104.5 | 137.7 | -79.4 | -170.8 | -87.8 | 0 | 0 | 108.4 | ||||
| 18 | D | 34.1 | Very low | 38.7 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | trans | -179.8 | 85.6 | 149.6 | -101.3 | -20.1 | 0 | 0 | 0 | 108.8 | ||||
| 19 | S | 35.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -160.8 | 137.9 | 162.1 | -160.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 20 | A | 32.3 | Very low | 36.6 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | 52.7 | 85.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 21 | R | 32.2 | Very low | 35.9 | Very low | 255 Ų | 255 | 153.6 Ų | 153.6 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | trans | -149.3 | 79.1 | 140.7 | -164.1 | 175.6 | -177 | 167.9 | 1.9 | 113.9 | ||||
| 22 | S | 31.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -164.6 | 97.4 | 141.5 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | Q | 32.9 | Very low | 34.8 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -121.6 | 118.6 | 143.3 | -77.9 | -170.8 | -13.2 | 0 | 0 | 105.9 | ||||
| 24 | Q | 32.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | 173.3 | 109.2 | 135.2 | -133 | 69.6 | -24.2 | 0 | 0 | 108.8 | ||||
| 25 | H | 31.1 | Very low | 34.2 | Very low | 179 Ų | 179 | 151 Ų | 151 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -163 | 103.3 | 135.5 | -128.4 | -97.6 | 0 | 0 | 0 | 113 | ||||
| 26 | V | 31.5 | Very low | 34 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | 56.2 | 128.1 | 147.3 | -175.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 27 | N | 26.9 | Very low | 33.5 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -84 | 152.8 | 174.8 | -47.5 | -73.6 | 0 | 0 | 0 | 112.5 | ||||
| 28 | L | 31.5 | Very low | 33.2 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | trans | -142.1 | 141.6 | 140.9 | -165.6 | 67.4 | 0 | 0 | 0 | 108.4 | ||||
| 29 | A | 32.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -97.9 | 147.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 30 | T | 29.5 | Very low | 33.6 | Very low | 142 Ų | 142 | 147 Ų | 147 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -168.6 | 146 | 139.5 | -75.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | S | 30.3 | Very low | 33.8 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -123.3 | 142.3 | 173.4 | -163.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 32 | P | 37.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | -140.8 | -178.8 | 76.1 | 31.6 | -10.3 | 0 | 0 | 0 | 115.4 | |||||
| 33 | A | 29.8 | Very low | 34.8 | Very low | 86 Ų | 86 | 158 Ų | 158 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -101 | -158.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 34 | P | 39.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -127.6 | 161.4 | -31.8 | 36.5 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 35 | E | 34.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | -151.1 | 133 | 151.4 | -91.4 | -154.8 | 134.6 | 0 | 0 | 112.5 | K37 | E35-K37 VanDerWaalsContact OE2-CE 3.24Å; E35-K37 WeakPolarHBondContact OE2-CE 3.22Å; E35-K37 IonicContact OE2-NZ 2.56Å; E35-K37 PolarHBondContact OE2-NZ 2.85Å | ||
| 36 | E | 40.3 | Very low | 35.9 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -74.4 | 121.1 | 167.5 | -72.5 | -169.4 | 97.1 | 0 | 0 | 111.1 | ||||
| 37 | K | 34.5 | Very low | 36 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | trans | -124 | 109.9 | 165.1 | -73.8 | 178.6 | 172.8 | 151.7 | 0 | 110.9 | E35 | E35-K37 VanDerWaalsContact OE2-CE 3.24Å; E35-K37 WeakPolarHBondContact OE2-CE 3.22Å; E35-K37 IonicContact OE2-NZ 2.56Å; E35-K37 PolarHBondContact OE2-NZ 2.85Å | ||
| 38 | K | 36.7 | Very low | 36.5 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -43 | 134.6 | -171.4 | -65.2 | 165.5 | -179.7 | 170.5 | 0 | 112.1 | V40 | K38-V40 PolarHBondContact O-N 3.44Š| ||
| 39 | P | 35.1 | Very low | 36.8 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -63.7 | 110.1 | 176.1 | 26.4 | -33.4 | 0 | 0 | 0 | 109.7 | R41 | P39-R41 PolarHBondContact O-N 3.22Š| ||
| 40 | V | 42.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 151 Ų | 151 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -54.6 | 116.8 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 108 | K38 R42 | K38-V40 PolarHBondContact O-N 3.44Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.85Å | ||
| 41 | R | 36.1 | Very low | 37.9 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -61.7 | 91.5 | -171.5 | -166.5 | 177.2 | -171.1 | 175.2 | 2.3 | 109.3 | P39 R43 | P39-R41 PolarHBondContact O-N 3.22Å; R41-R43 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | R | 41 | Very low | 38.5 | Very low | 234 Ų | 234 | 154.3 Ų | 154.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -51.7 | 121.9 | 177.8 | -71.9 | -179.9 | 175.5 | 167.9 | -0.5 | 107.1 | V40 | V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.85Å | ||
| 43 | R | 44.7 | Very low | 39.1 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -48.2 | 137.3 | 170 | -63.2 | -176.5 | -177.2 | -170.4 | 0.4 | 107 | R41 R45 | R41-R43 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact O-N 3.11Å; R43-R45 PolarHBondContact O-N 2.88Å | ||
| 44 | P | 43.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -50.4 | 115.2 | 162.4 | -21.6 | 32.8 | 0 | 0 | 0 | 106.2 | A46 | P44-A46 PolarHBondContact O-N 2.72Š| ||
| 45 | R | 36.2 | Very low | 40.9 | Very low | 232 Ų | 232 | 153.7 Ų | 153.7 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | -57.5 | 137.7 | 157.9 | -72.1 | -171.2 | 170.1 | -154.7 | -4.6 | 104.3 | R43 D47 | R43-R45 PolarHBondContact O-N 2.88Å; R45-D47 VanDerWaalsContact C-N 3.35Å; R45-D47 PolarHBondContact O-N 2.89Å | ||
| 46 | A | 39.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 155.9 Ų | 155.9 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -47.7 | 111.6 | 167 | 0 | 0 | 0 | 0 | 0 | 105.5 | P44 V48 | P44-A46 PolarHBondContact O-N 2.72Å; A46-V48 PolarHBondContact O-N 3.26Å | ||
| 47 | D | 32.3 | Very low | 43.1 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -61.7 | 121.6 | -174.3 | -177 | 10.2 | 0 | 0 | 0 | 104.2 | R45 V49 | R45-D47 VanDerWaalsContact C-N 3.35Å; R45-D47 PolarHBondContact O-N 2.89Å; D47-V49 HydrophobicContact CB-CG2 3.84Å; D47-V49 PolarHBondContact O-N 3.07Å; D47-V49 PolarHBondContact OD1-N 2.81Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 48 | V | 38.8 | Very low | 44.4 | Very low | 120 Ų | 120 | 154 Ų | 154 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -76.9 | 67.4 | 168 | -171.6 | 0 | 0 | 0 | 0 | 104.7 | A46 I50 | A46-V48 PolarHBondContact O-N 3.26Å; V48-I50 HydrophobicContact CG1-CG1 4.18Å; V48-I50 PolarHBondContact O-N 2.75Å | ||
| 49 | V | 36 | Very low | 46.2 | Very low | 88 Ų | 88 | 147 Ų | 147 | 53% | 0.533 | 71% | 0.71 | S | S | . | * | trans | -53.9 | 91.2 | 150 | -167.5 | 0 | 0 | 0 | 0 | 103 | D47 V51 | D47-V49 HydrophobicContact CB-CG2 3.84Å; D47-V49 PolarHBondContact O-N 3.07Å; D47-V49 PolarHBondContact OD1-N 2.81Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.43Å; V49-V51 HydrophobicContact CB-CG2 4.05Å; V49-V51 HydrophobicContact CG1-CB 4.46Å; V49-V51 HydrophobicContact CG1-CG2 3.57Å; V49-V51 PolarHBondContact O-N 3.08Å | ||
| 50 | I | 43.2 | Very low | 48.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | trans | -56.5 | 90 | 149.7 | -58.2 | 173.4 | 0 | 0 | 0 | 102 | V48 R52 | V48-I50 HydrophobicContact CG1-CG1 4.18Å; V48-I50 PolarHBondContact O-N 2.75Å; I50-R52 HydrophobicContact CG2-CB 4.17Å; I50-R52 PolarHBondContact O-N 3.04Å | ||
| 51 | V | 42.5 | Very low | 50.2 | Low | 103 Ų | 103 | 139.7 Ų | 139.7 | 62% | 0.624 | 67% | 0.666 | S | S | * | * | trans | -68.1 | 72.7 | 171.1 | 179.8 | 0 | 0 | 0 | 0 | 103.8 | V49 G53 | V49-V51 HydrophobicContact CB-CG2 4.05Å; V49-V51 HydrophobicContact CG1-CB 4.46Å; V49-V51 HydrophobicContact CG1-CG2 3.57Å; V49-V51 PolarHBondContact O-N 3.08Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 WeakPolarHBondContact O-CA 3.32Å; V51-G53 PolarHBondContact O-N 3.27Å | ||
| 52 | R | 43.7 | Very low | 52.7 | Low | 216 Ų | 216 | 128.4 Ų | 128.4 | 82% | 0.815 | 62% | 0.623 | S | S | * | * | trans | -59.1 | 98.3 | -162 | 172 | -175.4 | 174.1 | 151.2 | 1.7 | 105.3 | I50 K54 | I50-R52 HydrophobicContact CG2-CB 4.17Å; I50-R52 PolarHBondContact O-N 3.04Å; R52-K54 VanDerWaalsContact C-N 3.35Å; R52-K54 WeakPolarHBondContact O-CA 3.33Å; R52-K54 PolarHBondContact O-N 3.36Å | ||
| 53 | G | 50 | Low | 55 | Low | 34 Ų | 34 | 123.5 Ų | 123.5 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | trans | -46.7 | 102 | -148.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V51 I55 | V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 WeakPolarHBondContact O-CA 3.32Å; V51-G53 PolarHBondContact O-N 3.27Å; G53-I55 WeakPolarHBondContact O-CG1 3.37Å; G53-I55 PolarHBondContact O-N 3.36Å | ||
| 54 | K | 50.8 | Low | 57.2 | Low | 196 Ų | 196 | 117.8 Ų | 117.8 | 85% | 0.852 | 59% | 0.59 | S | S | * | * | trans | -83.4 | 57.6 | -173.8 | -156.8 | 172.9 | -172.9 | 178.3 | 0 | 107.3 | R52 R56 | R52-K54 VanDerWaalsContact C-N 3.35Å; R52-K54 WeakPolarHBondContact O-CA 3.33Å; R52-K54 PolarHBondContact O-N 3.36Å; K54-R56 PolarHBondContact O-N 3.45Å; K54-R56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | I | 57.4 | Low | 59.5 | Low | 85 Ų | 85 | 113 Ų | 113 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | trans | -51.9 | 118.1 | -172.9 | -20.1 | -179.8 | 0 | 0 | 0 | 105.4 | G53 L57 L147 | G53-I55 WeakPolarHBondContact O-CG1 3.37Å; G53-I55 PolarHBondContact O-N 3.36Å; I55-L57 PolarHBondContact O-N 2.97Å; I55-L147 HydrophobicContact CG2-CD1 4.39Å; I55-L147 HydrophobicContact CG2-CD2 4.33Å | ||
| 56 | R | 61.8 | Low | 62.2 | Low | 200 Ų | 200 | 105.8 Ų | 105.8 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | trans | -73.8 | 83.2 | 177.5 | -71.8 | -178.3 | 167.4 | -154.4 | -2.9 | 106.7 | K54 Y58 S59 | K54-R56 PolarHBondContact O-N 3.45Å; K54-R56 VanDerWaalsContact O-N 3.08Å; R56-Y58 PolarHBondContact O-N 3.29Å; R56-S59 WeakPolarHBondContact O-CA 3.41Å; R56-S59 WeakPolarHBondContact O-CB 3.49Å; R56-S59 PolarHBondContact O-N 3Å | ||
| 57 | L | 58.1 | Low | 64.8 | Low | 85 Ų | 85 | 104.3 Ų | 104.3 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.4 | 175.7 | -65.6 | 170.7 | 0 | 0 | 0 | 111.6 | I55 S59 G62 F63 | I55-L57 PolarHBondContact O-N 2.97Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-G62 CarbonylContact O-C 3.2Å; L57-G62 WeakPolarHBondContact O-CA 3.4Å; L57-F63 PolarHBondContact O-N 3.36Å |
| 58 | Y | 62.6 | Low | 67.8 | Low | 239 Ų | 239 | 98.1 Ų | 98.1 | 94% | 0.937 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 9.2 | 168.6 | -64.5 | -79.5 | 0 | 0 | 0 | 114.6 | R56 | R56-Y58 PolarHBondContact O-N 3.29Š|
| 59 | S | 74.4 | Confident | 70.4 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 31% | 0.308 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -73.6 | 150.9 | 163.4 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | R56 L57 S61 G62 F63 | R56-S59 WeakPolarHBondContact O-CA 3.41Å; R56-S59 WeakPolarHBondContact O-CB 3.49Å; R56-S59 PolarHBondContact O-N 3Å; L57-S59 VanDerWaalsContact C-N 3.31Å; S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 3.49Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S59-G62 WeakPolarHBondContact O-CA 3.36Å; S59-G62 PolarHBondContact O-N 2.85Å; S59-F63 PolarHBondContact O-N 3.27Å |
| 60 | P | 80.6 | Confident | 73.3 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -52 | -38.6 | -179.6 | -30.5 | 36.9 | 0 | 0 | 0 | 114.7 | F63 F64 | P60-F63 WeakPolarHBondContact O-CB 3.19Å; P60-F63 PolarHBondContact O-N 2.91Å; P60-F64 WeakPolarHBondContact O-CD2 3.41Å; P60-F64 PolarHBondContact O-N 3.23Å |
| 61 | S | 81.3 | Confident | 75.7 | Confident | 13 Ų | 13 | 91.2 Ų | 91.2 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.6 | -31.9 | 174.5 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | S59 L65 | S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 3.49Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.16Å |
| 62 | G | 87.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.8 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 S59 L65 V66 | L57-G62 CarbonylContact O-C 3.2Å; L57-G62 WeakPolarHBondContact O-CA 3.4Å; S59-G62 WeakPolarHBondContact O-CA 3.36Å; S59-G62 PolarHBondContact O-N 2.85Å; G62-L65 PolarHBondContact O-N 3.33Å; G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 2.8Å |
| 63 | F | 89.5 | Confident | 80.6 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | 172.8 | 176.2 | -97.1 | 0 | 0 | 0 | 111.8 | L57 S59 P60 L65 V66 L67 | L57-F63 PolarHBondContact O-N 3.36Å; S59-F63 PolarHBondContact O-N 3.27Å; P60-F63 WeakPolarHBondContact O-CB 3.19Å; P60-F63 PolarHBondContact O-N 2.91Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.45Å; F63-V66 PolarHBondContact O-N 3.27Å; F63-L67 HydrophobicContact CE1-CD2 4.38Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å |
| 64 | F | 91.5 | Very high | 82.6 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -32.7 | 175.8 | -69.5 | -65.3 | 0 | 0 | 0 | 113.2 | P60 L67 G68 A143 | P60-F64 WeakPolarHBondContact O-CD2 3.41Å; P60-F64 PolarHBondContact O-N 3.23Å; F64-L67 HydrophobicContact CD1-CD2 4.39Å; F64-L67 PolarHBondContact O-N 2.69Å; F64-G68 PolarHBondContact O-N 2.87Å; F64-A143 HydrophobicContact CB-CB 3.73Å |
| 65 | L | 91.9 | Very high | 84.5 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 174.3 | -174.1 | 154.5 | 0 | 0 | 0 | 111.3 | S61 G62 F63 G68 V69 F140 A143 N144 L147 | S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.16Å; G62-L65 PolarHBondContact O-N 3.33Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.45Å; L65-G68 PolarHBondContact O-N 3.43Å; L65-V69 HydrophobicContact CD2-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.93Å; L65-V69 VanDerWaalsContact O-N 3.08Å; L65-F140 HydrophobicContact CD1-CE2 4.16Å; L65-F140 HydrophobicContact CD2-CD2 4.27Å; L65-F140 HydrophobicContact CD2-CE2 3.88Å; L65-F140 HydrophobicContact CG-CD2 3.85Å; L65-F140 HydrophobicContact CG-CE2 3.73Å; L65-A143 HydrophobicContact CB-CB 4.12Å; L65-N144 HydrophobicContact CD1-CB 4.17Å; L65-L147 HydrophobicContact CD1-CD2 3.64Å |
| 66 | V | 92.8 | Very high | 86.1 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | G62 F63 V69 L70 | G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 2.8Å; F63-V66 PolarHBondContact O-N 3.27Å; V66-V69 PolarHBondContact O-N 2.83Å; V66-L70 WeakPolarHBondContact O-CB 3.06Å; V66-L70 PolarHBondContact O-N 2.85Å |
| 67 | L | 93.3 | Very high | 87.4 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.2 | -177.2 | 64.7 | 0 | 0 | 0 | 112.1 | F63 F64 V69 L70 I71 | F63-L67 HydrophobicContact CE1-CD2 4.38Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å; F64-L67 HydrophobicContact CD1-CD2 4.39Å; F64-L67 PolarHBondContact O-N 2.69Å; L67-V69 PolarHBondContact O-N 2.87Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.39Å |
| 68 | G | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F64 L65 I71 A72 | F64-G68 PolarHBondContact O-N 2.87Å; L65-G68 PolarHBondContact O-N 3.43Å; G68-I71 PolarHBondContact O-N 3.2Å; G68-A72 WeakPolarHBondContact O-CB 3.11Å; G68-A72 PolarHBondContact O-N 3.31Å |
| 69 | V | 95.1 | Very high | 90 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 30% | 0.303 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 173 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | L65 V66 L67 A72 F73 F140 | L65-V69 HydrophobicContact CD2-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.93Å; L65-V69 VanDerWaalsContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 2.83Å; L67-V69 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3.3Å; V69-F73 HydrophobicContact CG1-CD2 3.64Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.28Å; V69-F73 PolarHBondContact O-N 3.43Å; V69-F140 HydrophobicContact CG2-CD2 3.56Å; V69-F140 HydrophobicContact CG2-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CG 4.47Å |
| 70 | L | 95.2 | Very high | 90.6 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 179.6 | -176.2 | 144.9 | 0 | 0 | 0 | 112.2 | V66 L67 F73 L74 | V66-L70 WeakPolarHBondContact O-CB 3.06Å; V66-L70 PolarHBondContact O-N 2.85Å; L67-L70 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 3.13Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.01Å |
| 71 | I | 94.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 174.5 | -65.9 | 167.1 | 0 | 0 | 0 | 110.7 | L67 G68 L74 G75 I135 I139 | L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.39Å; G68-I71 PolarHBondContact O-N 3.2Å; I71-L74 PolarHBondContact O-N 3.08Å; I71-G75 PolarHBondContact O-N 2.89Å; I71-I135 HydrophobicContact CG2-CG2 3.77Å; I71-I139 HydrophobicContact CD1-CD1 3.93Å |
| 72 | A | 94.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G68 V69 L74 G75 I76 I137 | G68-A72 WeakPolarHBondContact O-CB 3.11Å; G68-A72 PolarHBondContact O-N 3.31Å; V69-A72 PolarHBondContact O-N 3.3Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-L74 PolarHBondContact O-N 3.43Å; A72-G75 PolarHBondContact O-N 2.94Å; A72-I76 WeakPolarHBondContact O-CB 3.44Å; A72-I76 WeakPolarHBondContact O-CD1 3.26Å; A72-I76 VanDerWaalsContact O-CG1 3.25Å; A72-I76 WeakPolarHBondContact O-CG1 3.41Å; A72-I76 PolarHBondContact O-N 2.87Å; A72-I137 HydrophobicContact CB-CG1 4.4Å |
| 73 | F | 94.5 | Very high | 90.1 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 61% | 0.614 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 172.7 | -88.8 | -64.7 | 0 | 0 | 0 | 112.5 | V69 L70 I76 A77 | V69-F73 HydrophobicContact CG1-CD2 3.64Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.28Å; V69-F73 PolarHBondContact O-N 3.43Å; L70-F73 PolarHBondContact O-N 3.13Å; F73-I76 PolarHBondContact O-N 3.33Å; F73-A77 WeakPolarHBondContact O-CB 2.89Å; F73-A77 PolarHBondContact O-N 3.38Å |
| 74 | L | 91.2 | Very high | 89.6 | Confident | 72 Ų | 72 | 66 Ų | 66 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 176 | -174.1 | 56.6 | 0 | 0 | 0 | 111.6 | L70 I71 A72 A77 M78 F116 | L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.01Å; I71-L74 PolarHBondContact O-N 3.08Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-L74 PolarHBondContact O-N 3.43Å; L74-A77 PolarHBondContact O-N 3.13Å; L74-M78 WeakPolarHBondContact O-CB 3.45Å; L74-M78 VanDerWaalsContact O-CG 3.28Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.86Å; L74-F116 HydrophobicContact CD1-CE2 4.19Å; L74-F116 HydrophobicContact CD1-CZ 4.24Å; L74-F116 HydrophobicContact CD2-CE2 4.02Å; L74-F116 HydrophobicContact CD2-CZ 3.77Å; L74-F116 HydrophobicContact CG-CE2 4.47Å; L74-F116 HydrophobicContact CG-CZ 4.12Å |
| 75 | G | 92 | Very high | 88 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I71 A72 M78 A79 T132 | I71-G75 PolarHBondContact O-N 2.89Å; A72-G75 PolarHBondContact O-N 2.94Å; G75-M78 PolarHBondContact O-N 3.42Å; G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.37Å; G75-A79 PolarHBondContact O-N 3.3Å; G75-T132 VanDerWaalsContact CA-OG1 3.24Å; G75-T132 WeakPolarHBondContact CA-OG1 3.5Å |
| 76 | I | 91.4 | Very high | 86.3 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 34% | 0.338 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 172.2 | -70 | 162.3 | 0 | 0 | 0 | 110.7 | A72 F73 A79 I80 M133 | A72-I76 WeakPolarHBondContact O-CB 3.44Å; A72-I76 WeakPolarHBondContact O-CD1 3.26Å; A72-I76 VanDerWaalsContact O-CG1 3.25Å; A72-I76 WeakPolarHBondContact O-CG1 3.41Å; A72-I76 PolarHBondContact O-N 2.87Å; F73-I76 PolarHBondContact O-N 3.33Å; I76-A79 PolarHBondContact O-N 2.89Å; I76-I80 HydrophobicContact CG2-CD1 3.77Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.49Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.24Å; I76-I80 PolarHBondContact O-N 2.99Å; I76-M133 HydrophobicContact CG1-CG 4.39Å; I76-M133 HydrophobicContact CG1-SD 4.21Å |
| 77 | A | 89.3 | Confident | 84.1 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F73 L74 A79 I80 L81 | F73-A77 WeakPolarHBondContact O-CB 2.89Å; F73-A77 PolarHBondContact O-N 3.38Å; L74-A77 PolarHBondContact O-N 3.13Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.27Å; A77-I80 PolarHBondContact O-N 3.48Å; A77-L81 VanDerWaalsContact O-CD1 3.32Å; A77-L81 WeakPolarHBondContact O-CD1 3.28Å; A77-L81 PolarHBondContact O-N 3.36Å |
| 78 | M | 85.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 175.6 | -70.2 | -62.2 | -66.6 | 0 | 0 | 112.4 | L74 G75 G82 F116 V120 M125 L128 | L74-M78 WeakPolarHBondContact O-CB 3.45Å; L74-M78 VanDerWaalsContact O-CG 3.28Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.86Å; G75-M78 PolarHBondContact O-N 3.42Å; M78-G82 PolarHBondContact O-N 2.89Å; M78-F116 HydrophobicContact CE-CD1 3.55Å; M78-F116 HydrophobicContact CE-CE1 4.05Å; M78-F116 HydrophobicContact CE-CG 4.42Å; M78-F116 HydrophobicContact CG-CD1 4.49Å; M78-F116 HydrophobicContact CG-CE1 4.22Å; M78-F116 HydrophobicContact SD-CD1 3.69Å; M78-F116 HydrophobicContact SD-CE1 4.02Å; M78-F116 HydrophobicContact SD-CG 4.21Å; M78-V120 HydrophobicContact CE-CG2 4.31Å; M78-M125 HydrophobicContact CE-CE 4.04Å; M78-M125 HydrophobicContact CE-SD 3.42Å; M78-M125 WeakPolarHBondContact CE-SD 3.44Å; M78-L128 HydrophobicContact CE-CD2 4.46Å |
| 79 | A | 87.7 | Confident | 79.7 | Confident | 20 Ų | 20 | 87 Ų | 87 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G75 I76 A77 L81 G82 Y83 | G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.37Å; G75-A79 PolarHBondContact O-N 3.3Å; I76-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.27Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.87Å; A79-G82 PolarHBondContact O-N 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.42Å; A79-Y83 WeakPolarHBondContact O-CD2 3.31Å; A79-Y83 PolarHBondContact O-N 3.3Å |
| 80 | I | 87.3 | Confident | 77.3 | Confident | 92 Ų | 92 | 91.6 Ų | 91.6 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.2 | -70.5 | 166.7 | 0 | 0 | 0 | 110.8 | I76 A77 Y83 W84 | I76-I80 HydrophobicContact CG2-CD1 3.77Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.49Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.24Å; I76-I80 PolarHBondContact O-N 2.99Å; A77-I80 PolarHBondContact O-N 3.48Å; I80-Y83 CarbonylContact O-C 3.35Å; I80-W84 HydrophobicContact CG2-CE3 4.29Å; I80-W84 WeakPolarHBondContact O-CA 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.48Å; I80-W84 PolarHBondContact O-N 3.3Å |
| 81 | L | 82.1 | Confident | 74.9 | Confident | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.4 | -45.3 | 175 | -90.5 | 66.6 | 0 | 0 | 0 | 111.8 | A77 A79 Y83 W84 | A77-L81 VanDerWaalsContact O-CD1 3.32Å; A77-L81 WeakPolarHBondContact O-CD1 3.28Å; A77-L81 PolarHBondContact O-N 3.36Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.87Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 3.24Å; L81-W84 WeakPolarHBondContact O-CB 3.25Å; L81-W84 PolarHBondContact O-N 3.06Å; L81-W84 VanDerWaalsContact O-N 3.13Å |
| 82 | G | 80.3 | Confident | 71.9 | Confident | 12 Ų | 12 | 95.7 Ų | 95.7 | 12% | 0.124 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.1 | -23 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M78 A79 K126 | M78-G82 PolarHBondContact O-N 2.89Å; A79-G82 PolarHBondContact O-N 3.27Å; G82-K126 WeakPolarHBondContact O-CE 3.32Å; G82-K126 VanDerWaalsContact O-CG 3.26Å; G82-K126 WeakPolarHBondContact O-CG 3.45Å |
| 83 | Y | 76.2 | Confident | 69.7 | Low | 146 Ų | 146 | 100.8 Ų | 100.8 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 3.3 | 172.2 | -75.6 | -94.3 | 0 | 0 | 0 | 113.2 | A79 I80 L81 P85 K126 | A79-Y83 WeakPolarHBondContact O-CB 3.42Å; A79-Y83 WeakPolarHBondContact O-CD2 3.31Å; A79-Y83 PolarHBondContact O-N 3.3Å; I80-Y83 CarbonylContact O-C 3.35Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 3.24Å; Y83-P85 WeakPolarHBondContact O-CD 3.49Å; Y83-K126 HydrophobicContact CD2-CG 4.39Å; Y83-K126 HydrophobicContact CE2-CB 4.18Å; Y83-K126 HydrophobicContact CE2-CG 4.14Å |
| 84 | W | 80.6 | Confident | 66.9 | Low | 180 Ų | 180 | 103.3 Ų | 103.3 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -64 | 123.9 | 174.5 | -167.2 | -100.9 | 0 | 0 | 0 | 107.8 | I80 L81 Q86 | I80-W84 HydrophobicContact CG2-CE3 4.29Å; I80-W84 WeakPolarHBondContact O-CA 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.48Å; I80-W84 PolarHBondContact O-N 3.3Å; L81-W84 WeakPolarHBondContact O-CB 3.25Å; L81-W84 PolarHBondContact O-N 3.06Å; L81-W84 VanDerWaalsContact O-N 3.13Å; W84-Q86 PolarHBondContact O-N 3.21Å; W84-Q86 VanDerWaalsContact O-N 3.08Å |
| 85 | P | 57.3 | Low | 64.8 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | trans | -64.4 | 119 | 177.6 | 25.9 | -32 | 0 | 0 | 0 | 107.9 | Y83 K87 | Y83-P85 WeakPolarHBondContact O-CD 3.49Å; P85-K87 HydrophobicContact CB-CG 4.37Å; P85-K87 HydrophobicContact CG-CG 4.44Å; P85-K87 PolarHBondContact O-N 3.27Å | ||
| 86 | Q | 56.6 | Low | 62.4 | Low | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | trans | -66.1 | 77.6 | 173.8 | -166.4 | 80.1 | 8.9 | 0 | 0 | 108.5 | W84 E88 Q89 | W84-Q86 PolarHBondContact O-N 3.21Å; W84-Q86 VanDerWaalsContact O-N 3.08Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 3.05Å; Q86-Q89 HydrophobicContact CG-CG 4.18Å | ||
| 87 | K | 45.9 | Very low | 60 | Low | 171 Ų | 171 | 118.3 Ų | 118.3 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | trans | -70.4 | 93.5 | -179.5 | -74.4 | -167.7 | 175.4 | -170.1 | 0 | 109.1 | P85 | P85-K87 HydrophobicContact CB-CG 4.37Å; P85-K87 HydrophobicContact CG-CG 4.44Å; P85-K87 PolarHBondContact O-N 3.27Å | ||
| 88 | E | 47 | Very low | 57.6 | Low | 148 Ų | 148 | 121.8 Ų | 121.8 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | 68.3 | 85.1 | 158.1 | -64 | 169.1 | -124.8 | 0 | 0 | 114.8 | Q86 L90 | Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 3.05Å; E88-L90 HydrophobicContact CB-CB 4.14Å; E88-L90 PolarHBondContact O-N 2.9Å | ||
| 89 | Q | 48 | Very low | 55.8 | Low | 175 Ų | 175 | 128.4 Ų | 128.4 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 41.9 | 152.8 | -64 | 175.8 | -63 | 0 | 0 | 111.3 | Q86 | Q86-Q89 HydrophobicContact CG-CG 4.18Š|
| 90 | L | 46.3 | Very low | 53.9 | Low | 147 Ų | 147 | 133.4 Ų | 133.4 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 0.5 | -172 | -166.1 | 58.9 | 0 | 0 | 0 | 112.5 | E88 | E88-L90 HydrophobicContact CB-CB 4.14Å; E88-L90 PolarHBondContact O-N 2.9Å |
| 91 | L | 43.8 | Very low | 51.8 | Low | 164 Ų | 164 | 138.4 Ų | 138.4 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -126.2 | 88.7 | 178.8 | -134.7 | 176.7 | 0 | 0 | 0 | 112.4 | ||
| 92 | G | 31.6 | Very low | 50.1 | Low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 76.8 | 131.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | E94 | G92-E94 PolarHBondContact O-N 2.89Š| ||
| 93 | S | 47.8 | Very low | 48.3 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -68.6 | 123.1 | 164 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 94 | E | 37.2 | Very low | 46.8 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -141 | 77.6 | 142.6 | -82.4 | -144.9 | 99 | 0 | 0 | 109.2 | G92 | G92-E94 PolarHBondContact O-N 2.89Š| ||
| 95 | D | 47.3 | Very low | 45 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 146.3 | 154 | -79.9 | -54.3 | 0 | 0 | 0 | 109.1 | ||||
| 96 | N | 40.2 | Very low | 44.5 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 88.2 | 50.8 | 169.5 | -46.3 | -81.1 | 0 | 0 | 0 | 119.3 | ||
| 97 | L | 41.8 | Very low | 44.1 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -147.1 | 155.2 | 149.2 | -140.7 | 68.3 | 0 | 0 | 0 | 114.2 | ||
| 98 | S | 37.9 | Very low | 44.4 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 67.7 | 30.5 | 166 | 76.3 | 0 | 0 | 0 | 0 | 121.7 | N100 | S98-N100 VanDerWaalsContact C-N 3.29Å; S98-N100 PolarHBondContact O-N 2.88Å | ||
| 99 | I | 49.5 | Very low | 44.8 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | -69.6 | -17.2 | 170 | -77.7 | 174.8 | 0 | 0 | 0 | 114.5 | ||||
| 100 | N | 47.3 | Very low | 45.1 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | trans | -93.8 | -8 | -156 | -67.8 | -10.2 | 0 | 0 | 0 | 118 | S98 | S98-N100 VanDerWaalsContact C-N 3.29Å; S98-N100 PolarHBondContact O-N 2.88Å | ||
| 101 | E | 44.1 | Very low | 45.9 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 19.8 | -171 | -69.8 | -149.2 | 120.5 | 0 | 0 | 116.6 | ||
| 102 | T | 45.7 | Very low | 46.5 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 44% | 0.442 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.5 | 10.6 | 173.8 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | V104 R106 | T102-V104 PolarHBondContact O-N 2.56Å; T102-R106 WeakPolarHBondContact O-CB 3.31Å; T102-R106 PolarHBondContact OG1-NH1 3.46Å |
| 103 | Q | 43.1 | Very low | 47.7 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -61.9 | -34.2 | -163.8 | -167.5 | 169.2 | -6.5 | 0 | 0 | 115 | R106 | Q103-R106 PolarHBondContact O-N 2.86Å |
| 104 | V | 43.4 | Very low | 48.3 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.3 | -41.1 | -169 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | T102 | T102-V104 PolarHBondContact O-N 2.56Å |
| 105 | L | 42.5 | Very low | 49.3 | Very low | 176 Ų | 176 | 125.4 Ų | 125.4 | 92% | 0.921 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.6 | -3.7 | 178.8 | -160.6 | 62.8 | 0 | 0 | 0 | 112.9 | ||
| 106 | R | 46.7 | Very low | 50 | Low | 118 Ų | 118 | 121 Ų | 121 | 45% | 0.445 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -97.5 | -11.1 | -170.1 | -162.9 | 169.1 | -168.5 | 145.2 | 0.2 | 114.3 | T102 Q103 Q108 G109 S110 | T102-R106 WeakPolarHBondContact O-CB 3.31Å; T102-R106 PolarHBondContact OG1-NH1 3.46Å; Q103-R106 PolarHBondContact O-N 2.86Å; R106-Q108 PolarHBondContact O-N 2.59Å; R106-G109 CarbonylContact O-C 3.57Å; R106-G109 PolarHBondContact O-N 2.79Å; R106-S110 WeakPolarHBondContact O-CB 3.24Å; R106-S110 PolarHBondContact O-N 3.21Å |
| 107 | S | 49.5 | Very low | 50.9 | Low | 88 Ų | 88 | 119 Ų | 119 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -41.2 | -171.6 | -169.1 | 0 | 0 | 0 | 0 | 114.5 | S110 | S107-S110 PolarHBondContact O-OG 3Š|
| 108 | Q | 52.6 | Low | 51.8 | Low | 168 Ų | 168 | 119 Ų | 119 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -36.8 | 173.8 | -73.9 | -71.4 | -20.8 | 0 | 0 | 113.1 | R106 S110 | R106-Q108 PolarHBondContact O-N 2.59Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.32Å |
| 109 | G | 54.2 | Low | 52.6 | Low | 35 Ų | 35 | 119.3 Ų | 119.3 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.2 | -23.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R106 I111 L112 L113 | R106-G109 CarbonylContact O-C 3.57Å; R106-G109 PolarHBondContact O-N 2.79Å; G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.1Å; G109-L112 PolarHBondContact O-N 3.37Å; G109-L113 VanDerWaalsContact O-CB 3.29Å; G109-L113 WeakPolarHBondContact O-CB 3.5Å; G109-L113 PolarHBondContact O-N 2.88Å |
| 110 | S | 55.8 | Low | 52.9 | Low | 41 Ų | 41 | 115 Ų | 115 | 29% | 0.287 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.4 | -38.3 | -175.6 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | R106 S107 Q108 R114 | R106-S110 WeakPolarHBondContact O-CB 3.24Å; R106-S110 PolarHBondContact O-N 3.21Å; S107-S110 PolarHBondContact O-OG 3Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.32Å; S110-R114 WeakPolarHBondContact O-CB 3.15Å; S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 3.15Å |
| 111 | I | 61.1 | Low | 53.3 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.2 | -50.4 | -177.9 | -63.4 | 169.1 | 0 | 0 | 0 | 109.9 | G109 L113 R114 F115 | G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.1Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 2.8Å; I111-R114 PolarHBondContact O-N 3.17Å; I111-F115 HydrophobicContact CG2-CD2 3.77Å; I111-F115 HydrophobicContact CG2-CE2 3.51Å; I111-F115 WeakPolarHBondContact O-CD2 3.23Å; I111-F115 PolarHBondContact O-N 3.39Å |
| 112 | L | 57.8 | Low | 54.1 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -42.6 | 175.7 | -69.1 | 176.2 | 0 | 0 | 0 | 111.3 | G109 R114 F115 F116 | G109-L112 PolarHBondContact O-N 3.37Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.03Å; L112-F115 PolarHBondContact O-N 3.01Å; L112-F116 WeakPolarHBondContact O-CD2 3.03Å; L112-F116 PolarHBondContact O-N 3.26Å |
| 113 | L | 57.3 | Low | 55.1 | Low | 79 Ų | 79 | 113.8 Ų | 113.8 | 41% | 0.414 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.2 | -44.4 | 178.3 | -166.5 | 76.4 | 0 | 0 | 0 | 111.3 | G109 I111 F116 E117 | G109-L113 VanDerWaalsContact O-CB 3.29Å; G109-L113 WeakPolarHBondContact O-CB 3.5Å; G109-L113 PolarHBondContact O-N 2.88Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 2.8Å; L113-F116 CarbonylContact O-C 3.58Å; L113-F116 PolarHBondContact O-N 3.36Å; L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.91Å |
| 114 | R | 60.4 | Low | 56.1 | Low | 178 Ų | 178 | 114.4 Ų | 114.4 | 67% | 0.672 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.7 | -36.9 | 176.3 | -76 | 178.7 | 175.6 | -167 | -1.2 | 113.1 | S110 I111 L112 F116 E117 Q118 | S110-R114 WeakPolarHBondContact O-CB 3.15Å; S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 3.15Å; I111-R114 PolarHBondContact O-N 3.17Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.03Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-E117 WeakPolarHBondContact O-CB 3.39Å; R114-E117 PolarHBondContact O-N 3.47Å; R114-Q118 WeakPolarHBondContact O-CB 3.5Å; R114-Q118 PolarHBondContact O-N 3.26Å |
| 115 | F | 57.5 | Low | 57.1 | Low | 132 Ų | 132 | 108.3 Ų | 108.3 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -37.1 | 171.6 | -77.9 | -56.3 | 0 | 0 | 0 | 112.4 | I111 L112 H119 | I111-F115 HydrophobicContact CG2-CD2 3.77Å; I111-F115 HydrophobicContact CG2-CE2 3.51Å; I111-F115 WeakPolarHBondContact O-CD2 3.23Å; I111-F115 PolarHBondContact O-N 3.39Å; L112-F115 PolarHBondContact O-N 3.01Å; F115-H119 PolarHBondContact O-N 3.47Å; F115-H119 VanDerWaalsContact O-N 3.13Å |
| 116 | F | 61.8 | Low | 58.5 | Low | 48 Ų | 48 | 104.8 Ų | 104.8 | 21% | 0.211 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 169.8 | -77.7 | -60.6 | 0 | 0 | 0 | 110.9 | L74 M78 L112 L113 R114 Q118 H119 V120 | L74-F116 HydrophobicContact CD1-CE2 4.19Å; L74-F116 HydrophobicContact CD1-CZ 4.24Å; L74-F116 HydrophobicContact CD2-CE2 4.02Å; L74-F116 HydrophobicContact CD2-CZ 3.77Å; L74-F116 HydrophobicContact CG-CE2 4.47Å; L74-F116 HydrophobicContact CG-CZ 4.12Å; M78-F116 HydrophobicContact CE-CD1 3.55Å; M78-F116 HydrophobicContact CE-CE1 4.05Å; M78-F116 HydrophobicContact CE-CG 4.42Å; M78-F116 HydrophobicContact CG-CD1 4.49Å; M78-F116 HydrophobicContact CG-CE1 4.22Å; M78-F116 HydrophobicContact SD-CD1 3.69Å; M78-F116 HydrophobicContact SD-CE1 4.02Å; M78-F116 HydrophobicContact SD-CG 4.21Å; L112-F116 WeakPolarHBondContact O-CD2 3.03Å; L112-F116 PolarHBondContact O-N 3.26Å; L113-F116 CarbonylContact O-C 3.58Å; L113-F116 PolarHBondContact O-N 3.36Å; R114-F116 VanDerWaalsContact C-N 3.34Å; F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.77Å; F116-H119 CarbonylContact O-C 3.6Å; F116-H119 WeakPolarHBondContact O-CA 3.46Å; F116-H119 PolarHBondContact O-N 3.08Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.39Å; F116-V120 PolarHBondContact O-N 3.21Å |
| 117 | E | 59.8 | Low | 60.1 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -53.9 | -38.9 | 177.2 | -163.6 | 162.8 | -138.1 | 0 | 0 | 112.9 | L113 R114 V120 H121 | L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.91Å; R114-E117 WeakPolarHBondContact O-CB 3.39Å; R114-E117 PolarHBondContact O-N 3.47Å; E117-V120 PolarHBondContact O-N 3.08Å; E117-H121 PolarHBondContact O-ND1 2.8Å |
| 118 | Q | 60.1 | Low | 61.8 | Low | 162 Ų | 162 | 103.8 Ų | 103.8 | 76% | 0.757 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -32.3 | 173.3 | -155.4 | 92.6 | 28.3 | 0 | 0 | 113.2 | R114 F116 | R114-Q118 WeakPolarHBondContact O-CB 3.5Å; R114-Q118 PolarHBondContact O-N 3.26Å; F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.77Å |
| 119 | H | 53.6 | Low | 63.5 | Low | 121 Ų | 121 | 95.8 Ų | 95.8 | 56% | 0.56 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -88.1 | -14.3 | 173.8 | -76.7 | -30 | 0 | 0 | 0 | 113.9 | F115 F116 L128 | F115-H119 PolarHBondContact O-N 3.47Å; F115-H119 VanDerWaalsContact O-N 3.13Å; F116-H119 CarbonylContact O-C 3.6Å; F116-H119 WeakPolarHBondContact O-CA 3.46Å; F116-H119 PolarHBondContact O-N 3.08Å; H119-L128 HydrophobicContact CB-CD2 4.49Å |
| 120 | V | 56.8 | Low | 65.2 | Low | 60 Ų | 60 | 97 Ų | 97 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.3 | -30 | -178.5 | 157 | 0 | 0 | 0 | 0 | 111.8 | M78 F116 E117 S122 M125 | M78-V120 HydrophobicContact CE-CG2 4.31Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.39Å; F116-V120 PolarHBondContact O-N 3.21Å; E117-V120 PolarHBondContact O-N 3.08Å; V120-S122 PolarHBondContact O-N 3.42Å; V120-M125 HydrophobicContact CB-CE 4.26Å; V120-M125 HydrophobicContact CB-SD 4.21Å; V120-M125 HydrophobicContact CG1-CE 4.28Å; V120-M125 HydrophobicContact CG2-CE 3.66Å; V120-M125 HydrophobicContact CG2-SD 3.67Å; V120-M125 WeakPolarHBondContact O-CG 3.5Å |
| 121 | H | 55.7 | Low | 66.9 | Low | 172 Ų | 172 | 101.5 Ų | 101.5 | 80% | 0.796 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -74.4 | 29.9 | 179.1 | -87.8 | 86.3 | 0 | 0 | 0 | 114.9 | E117 | E117-H121 PolarHBondContact O-ND1 2.8Š|
| 122 | S | 61.9 | Low | 68.3 | Low | 50 Ų | 50 | 98.2 Ų | 98.2 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -148.7 | 137.7 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | V120 K124 M125 | V120-S122 PolarHBondContact O-N 3.42Å; S122-K124 PolarHBondContact O-N 3.41Å; S122-M125 VanDerWaalsContact O-CB 3.29Å; S122-M125 WeakPolarHBondContact O-CB 3.33Å; S122-M125 WeakPolarHBondContact O-CG 3.42Å; S122-M125 PolarHBondContact O-N 3.47Å |
| 123 | D | 66 | Low | 70.1 | Confident | 148 Ų | 148 | 96.5 Ų | 96.5 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.3 | 178.8 | -64.5 | -71.3 | 0 | 0 | 0 | 114.8 | M125 K126 | D123-M125 PolarHBondContact O-N 2.89Å; D123-K126 PolarHBondContact O-N 3.4Å |
| 124 | K | 63.3 | Low | 71.8 | Confident | 162 Ų | 162 | 94.5 Ų | 94.5 | 70% | 0.704 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -23.2 | 170.3 | -62 | 175.8 | -176.4 | 175.9 | 0 | 112.8 | S122 K126 M127 L128 | S122-K124 PolarHBondContact O-N 3.41Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 2.94Å; K124-M127 PolarHBondContact O-N 2.91Å; K124-L128 PolarHBondContact O-N 2.9Å |
| 125 | M | 63.8 | Low | 73.5 | Confident | 19 Ų | 19 | 89.5 Ų | 89.5 | 9% | 0.094 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -42.3 | -48 | 170.2 | -91.5 | -77.2 | -79 | 0 | 0 | 114.9 | M78 V120 S122 D123 M127 L128 G129 | M78-M125 HydrophobicContact CE-CE 4.04Å; M78-M125 HydrophobicContact CE-SD 3.42Å; M78-M125 WeakPolarHBondContact CE-SD 3.44Å; V120-M125 HydrophobicContact CB-CE 4.26Å; V120-M125 HydrophobicContact CB-SD 4.21Å; V120-M125 HydrophobicContact CG1-CE 4.28Å; V120-M125 HydrophobicContact CG2-CE 3.66Å; V120-M125 HydrophobicContact CG2-SD 3.67Å; V120-M125 WeakPolarHBondContact O-CG 3.5Å; S122-M125 VanDerWaalsContact O-CB 3.29Å; S122-M125 WeakPolarHBondContact O-CB 3.33Å; S122-M125 WeakPolarHBondContact O-CG 3.42Å; S122-M125 PolarHBondContact O-N 3.47Å; D123-M125 PolarHBondContact O-N 2.89Å; M125-M127 PolarHBondContact O-N 2.88Å; M125-L128 PolarHBondContact O-N 3.06Å; M125-G129 PolarHBondContact O-N 2.74Å |
| 126 | K | 73.8 | Confident | 75.3 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -23 | -178.2 | -79 | 173.4 | 179.1 | 164.9 | 0 | 113.1 | G82 Y83 D123 K124 P130 | G82-K126 WeakPolarHBondContact O-CE 3.32Å; G82-K126 VanDerWaalsContact O-CG 3.26Å; G82-K126 WeakPolarHBondContact O-CG 3.45Å; Y83-K126 HydrophobicContact CD2-CG 4.39Å; Y83-K126 HydrophobicContact CE2-CB 4.18Å; Y83-K126 HydrophobicContact CE2-CG 4.14Å; D123-K126 PolarHBondContact O-N 3.4Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 2.94Å; K126-P130 WeakPolarHBondContact O-CD 3.16Å; K126-P130 WeakPolarHBondContact O-CG 3.25Å |
| 127 | M | 79.7 | Confident | 76.9 | Confident | 137 Ų | 137 | 84.1 Ų | 84.1 | 68% | 0.675 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -89.5 | -29.4 | 173.1 | -57.7 | -56 | -70.5 | 0 | 0 | 112.2 | K124 M125 F131 | K124-M127 PolarHBondContact O-N 2.91Å; M125-M127 PolarHBondContact O-N 2.88Å; M127-F131 VanDerWaalsContact O-CB 3.25Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 PolarHBondContact O-N 3.33Å |
| 128 | L | 84.4 | Confident | 78.6 | Confident | 47 Ų | 47 | 85.2 Ų | 85.2 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -177.9 | -172.4 | 62.5 | 0 | 0 | 0 | 112.9 | M78 H119 K124 M125 F131 T132 | M78-L128 HydrophobicContact CE-CD2 4.46Å; H119-L128 HydrophobicContact CB-CD2 4.49Å; K124-L128 PolarHBondContact O-N 2.9Å; M125-L128 PolarHBondContact O-N 3.06Å; L128-F131 HydrophobicContact CD1-CD1 4.36Å; L128-F131 PolarHBondContact O-N 3.43Å; L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 4.35Å; L128-T132 WeakPolarHBondContact O-CB 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 2.92Å |
| 129 | G | 87.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.2 | -59.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | M125 F131 T132 M133 | M125-G129 PolarHBondContact O-N 2.74Å; G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 3.03Å; G129-T132 PolarHBondContact O-N 2.78Å; G129-T132 PolarHBondContact O-OG1 2.88Å; G129-T132 VanDerWaalsContact O-OG1 3.06Å; G129-M133 VanDerWaalsContact O-CB 3.27Å; G129-M133 WeakPolarHBondContact O-CB 3.47Å; G129-M133 PolarHBondContact O-N 3.33Å |
| 130 | P | 90.8 | Very high | 82.2 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57 | -37 | 173.9 | -27.8 | 36.3 | 0 | 0 | 0 | 114.2 | K126 G134 | K126-P130 WeakPolarHBondContact O-CD 3.16Å; K126-P130 WeakPolarHBondContact O-CG 3.25Å; P130-G134 PolarHBondContact O-N 2.74Å |
| 131 | F | 91.5 | Very high | 84 | Confident | 135 Ų | 135 | 79.6 Ų | 79.6 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.4 | -48.5 | 177 | 177.5 | -100.1 | 0 | 0 | 0 | 112.5 | M127 L128 G129 G134 I135 | M127-F131 VanDerWaalsContact O-CB 3.25Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 PolarHBondContact O-N 3.33Å; L128-F131 HydrophobicContact CD1-CD1 4.36Å; L128-F131 PolarHBondContact O-N 3.43Å; G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 3.03Å; F131-G134 PolarHBondContact O-N 3.03Å; F131-I135 HydrophobicContact CE2-CD1 4.49Å; F131-I135 HydrophobicContact CZ-CD1 4.32Å; F131-I135 PolarHBondContact O-N 2.72Å |
| 132 | T | 91.3 | Very high | 85.8 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.6 | -35.2 | 178.3 | 50 | 0 | 0 | 0 | 0 | 112.3 | G75 L128 G129 I135 G136 | G75-T132 VanDerWaalsContact CA-OG1 3.24Å; G75-T132 WeakPolarHBondContact CA-OG1 3.5Å; L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 4.35Å; L128-T132 WeakPolarHBondContact O-CB 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 2.92Å; G129-T132 PolarHBondContact O-N 2.78Å; G129-T132 PolarHBondContact O-OG1 2.88Å; G129-T132 VanDerWaalsContact O-OG1 3.06Å; T132-I135 PolarHBondContact O-N 2.78Å; T132-G136 PolarHBondContact O-N 2.65Å |
| 133 | M | 93.8 | Very high | 87.1 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 168 | 177.2 | -177.4 | 172.6 | 0 | 0 | 111.2 | I76 G129 I135 G136 I137 | I76-M133 HydrophobicContact CG1-CG 4.39Å; I76-M133 HydrophobicContact CG1-SD 4.21Å; G129-M133 VanDerWaalsContact O-CB 3.27Å; G129-M133 WeakPolarHBondContact O-CB 3.47Å; G129-M133 PolarHBondContact O-N 3.33Å; M133-I135 PolarHBondContact O-N 2.73Å; M133-G136 PolarHBondContact O-N 3.03Å; M133-I137 HydrophobicContact CE-CD1 3.72Å; M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 WeakPolarHBondContact O-CB 3.27Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.42Å; M133-I137 PolarHBondContact O-N 3.47Å |
| 134 | G | 94.8 | Very high | 88.3 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P130 F131 I137 F138 | P130-G134 PolarHBondContact O-N 2.74Å; F131-G134 PolarHBondContact O-N 3.03Å; G134-I137 PolarHBondContact O-N 2.98Å; G134-F138 WeakPolarHBondContact O-CB 3.39Å; G134-F138 PolarHBondContact O-N 2.77Å |
| 135 | I | 94.9 | Very high | 89.5 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.9 | -119.7 | 69.3 | 0 | 0 | 0 | 111.6 | I71 F131 T132 M133 F138 I139 | I71-I135 HydrophobicContact CG2-CG2 3.77Å; F131-I135 HydrophobicContact CE2-CD1 4.49Å; F131-I135 HydrophobicContact CZ-CD1 4.32Å; F131-I135 PolarHBondContact O-N 2.72Å; T132-I135 PolarHBondContact O-N 2.78Å; M133-I135 PolarHBondContact O-N 2.73Å; I135-F138 PolarHBondContact O-N 3.02Å; I135-I139 HydrophobicContact CG2-CD1 4.38Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.41Å |
| 136 | G | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T132 M133 I139 F140 | T132-G136 PolarHBondContact O-N 2.65Å; M133-G136 PolarHBondContact O-N 3.03Å; G136-I139 PolarHBondContact O-N 2.91Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.08Å; G136-F140 PolarHBondContact O-N 2.86Å |
| 137 | I | 95.3 | Very high | 91 | Very high | 66 Ų | 66 | 61.5 Ų | 61.5 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 176.2 | -69.2 | 169.2 | 0 | 0 | 0 | 111.2 | A72 M133 G134 F140 I141 | A72-I137 HydrophobicContact CB-CG1 4.4Å; M133-I137 HydrophobicContact CE-CD1 3.72Å; M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 WeakPolarHBondContact O-CB 3.27Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.42Å; M133-I137 PolarHBondContact O-N 3.47Å; G134-I137 PolarHBondContact O-N 2.98Å; I137-F140 PolarHBondContact O-N 3.14Å; I137-I141 HydrophobicContact CG2-CD1 3.71Å; I137-I141 HydrophobicContact CG2-CG1 4.36Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 3.16Å |
| 138 | F | 96.6 | Very high | 90.9 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 59% | 0.592 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.1 | -50.3 | 174.8 | 176.5 | -102.6 | 0 | 0 | 0 | 111.5 | G134 I135 F140 I141 C142 | G134-F138 WeakPolarHBondContact O-CB 3.39Å; G134-F138 PolarHBondContact O-N 2.77Å; I135-F138 PolarHBondContact O-N 3.02Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.3Å; F138-I141 PolarHBondContact O-N 3.2Å; F138-C142 PolarHBondContact O-N 2.95Å; F138-C142 PolarHBondContact O-SG 2.89Å |
| 139 | I | 94.6 | Very high | 90.7 | Very high | 51 Ų | 51 | 63 Ų | 63 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 176 | -67.4 | 165.6 | 0 | 0 | 0 | 110.8 | I71 I135 G136 C142 A143 | I71-I139 HydrophobicContact CD1-CD1 3.93Å; I135-I139 HydrophobicContact CG2-CD1 4.38Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.41Å; G136-I139 PolarHBondContact O-N 2.91Å; I139-C142 PolarHBondContact O-N 3.28Å; I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 3.39Å |
| 140 | F | 94.1 | Very high | 90.1 | Very high | 73 Ų | 73 | 65.8 Ų | 65.8 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.2 | 173.7 | -104.6 | 0 | 0 | 0 | 112.4 | L65 V69 G136 I137 F138 N144 | L65-F140 HydrophobicContact CD1-CE2 4.16Å; L65-F140 HydrophobicContact CD2-CD2 4.27Å; L65-F140 HydrophobicContact CD2-CE2 3.88Å; L65-F140 HydrophobicContact CG-CD2 3.85Å; L65-F140 HydrophobicContact CG-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CD2 3.56Å; V69-F140 HydrophobicContact CG2-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CG 4.47Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.08Å; G136-F140 PolarHBondContact O-N 2.86Å; I137-F140 PolarHBondContact O-N 3.14Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.3Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.48Å |
| 141 | I | 94.3 | Very high | 89.1 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 179.5 | -68.7 | 168.8 | 0 | 0 | 0 | 110.8 | I137 F138 N144 A145 | I137-I141 HydrophobicContact CG2-CD1 3.71Å; I137-I141 HydrophobicContact CG2-CG1 4.36Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 3.16Å; F138-I141 PolarHBondContact O-N 3.2Å; I141-N144 PolarHBondContact O-N 2.86Å; I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.46Å |
| 142 | C | 92.7 | Very high | 87.6 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.6 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | F138 I139 N144 A145 I146 | F138-C142 PolarHBondContact O-N 2.95Å; F138-C142 PolarHBondContact O-SG 2.89Å; I139-C142 PolarHBondContact O-N 3.28Å; C142-N144 VanDerWaalsContact C-N 3.34Å; C142-N144 PolarHBondContact O-N 3.4Å; C142-A145 PolarHBondContact O-N 3.33Å; C142-I146 WeakPolarHBondContact O-CG1 3.1Å; C142-I146 PolarHBondContact O-N 3.01Å |
| 143 | A | 91 | Very high | 86.1 | Confident | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F64 L65 I139 I146 L147 | F64-A143 HydrophobicContact CB-CB 3.73Å; L65-A143 HydrophobicContact CB-CB 4.12Å; I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 3.39Å; A143-I146 PolarHBondContact O-N 3.29Å; A143-L147 VanDerWaalsContact O-CB 3.27Å; A143-L147 WeakPolarHBondContact O-CB 3.27Å; A143-L147 PolarHBondContact O-N 3.43Å |
| 144 | N | 89.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.8 | -165.9 | 50.7 | 0 | 0 | 0 | 111.7 | L65 F140 I141 C142 L147 H148 | L65-N144 HydrophobicContact CD1-CB 4.17Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.48Å; I141-N144 PolarHBondContact O-N 2.86Å; C142-N144 VanDerWaalsContact C-N 3.34Å; C142-N144 PolarHBondContact O-N 3.4Å; N144-L147 PolarHBondContact O-N 2.95Å; N144-H148 PolarHBondContact ND2-CD2 3.38Å; N144-H148 WeakPolarHBondContact O-CB 3.2Å; N144-H148 PolarHBondContact O-CD2 3.41Å; N144-H148 VanDerWaalsContact O-CD2 3.24Å; N144-H148 PolarHBondContact O-N 3.24Å; N144-H148 PolarHBondContact OD1-CD2 3.36Å |
| 145 | A | 90.2 | Very high | 82.3 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I141 C142 L147 H148 E149 | I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.46Å; C142-A145 PolarHBondContact O-N 3.33Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 3.49Å; A145-H148 PolarHBondContact O-N 3.24Å; A145-E149 WeakPolarHBondContact O-CB 3.37Å; A145-E149 PolarHBondContact O-N 2.83Å |
| 146 | I | 87.2 | Confident | 80.2 | Confident | 83 Ų | 83 | 74 Ų | 74 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 175.9 | -65.5 | 163.9 | 0 | 0 | 0 | 111.6 | C142 A143 N150 | C142-I146 WeakPolarHBondContact O-CG1 3.1Å; C142-I146 PolarHBondContact O-N 3.01Å; A143-I146 PolarHBondContact O-N 3.29Å; I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 PolarHBondContact O-ND2 3.45Å |
| 147 | L | 81.9 | Confident | 78.2 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70 | -38.9 | 175.5 | -175.6 | 63.9 | 0 | 0 | 0 | 111.8 | I55 L65 A143 N144 A145 R151 | I55-L147 HydrophobicContact CG2-CD1 4.39Å; I55-L147 HydrophobicContact CG2-CD2 4.33Å; L65-L147 HydrophobicContact CD1-CD2 3.64Å; A143-L147 VanDerWaalsContact O-CB 3.27Å; A143-L147 WeakPolarHBondContact O-CB 3.27Å; A143-L147 PolarHBondContact O-N 3.43Å; N144-L147 PolarHBondContact O-N 2.95Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 3.49Å; L147-R151 WeakPolarHBondContact O-CB 3.16Å; L147-R151 PolarHBondContact O-N 3.41Å |
| 148 | H | 76.9 | Confident | 76.4 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 174.2 | -88.3 | -83.3 | 0 | 0 | 0 | 112 | N144 A145 R151 D152 | N144-H148 PolarHBondContact ND2-CD2 3.38Å; N144-H148 WeakPolarHBondContact O-CB 3.2Å; N144-H148 PolarHBondContact O-CD2 3.41Å; N144-H148 VanDerWaalsContact O-CD2 3.24Å; N144-H148 PolarHBondContact O-N 3.24Å; N144-H148 PolarHBondContact OD1-CD2 3.36Å; A145-H148 PolarHBondContact O-N 3.24Å; H148-R151 PolarHBondContact O-N 2.91Å; H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 2.82Å |
| 149 | E | 80.6 | Confident | 74.4 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 49% | 0.486 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.3 | -164.6 | -152.4 | 147.2 | 0 | 0 | 111.4 | A145 D152 K153 | A145-E149 WeakPolarHBondContact O-CB 3.37Å; A145-E149 PolarHBondContact O-N 2.83Å; E149-D152 PolarHBondContact O-N 3.11Å; E149-K153 WeakPolarHBondContact O-CG 3.31Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.14Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.77Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å |
| 150 | N | 74.6 | Confident | 72.7 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.7 | -32.1 | 176.7 | -70.3 | -45 | 0 | 0 | 0 | 112.8 | I146 K153 E154 | I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 PolarHBondContact O-ND2 3.45Å; N150-K153 PolarHBondContact O-N 2.91Å; N150-K153 PolarHBondContact OD1-NZ 3.02Å; N150-E154 PolarHBondContact O-N 2.87Å |
| 151 | R | 69.6 | Low | 71.3 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 172 | -176.6 | 178.5 | -179.7 | 76.1 | 9.5 | 111.7 | L147 H148 E154 T155 | L147-R151 WeakPolarHBondContact O-CB 3.16Å; L147-R151 PolarHBondContact O-N 3.41Å; H148-R151 PolarHBondContact O-N 2.91Å; R151-E154 PolarHBondContact O-N 3.19Å; R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.18Å |
| 152 | D | 60.5 | Low | 69.7 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.4 | -175.9 | 51.7 | 0 | 0 | 0 | 110.7 | H148 E149 E154 T155 K156 | H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 2.82Å; E149-D152 PolarHBondContact O-N 3.11Å; D152-E154 PolarHBondContact O-N 3.07Å; D152-T155 WeakPolarHBondContact CA-OG1 3.42Å; D152-T155 PolarHBondContact O-N 3.49Å; D152-T155 PolarHBondContact O-OG1 2.87Å; D152-T155 VanDerWaalsContact O-OG1 3.09Å; D152-K156 WeakPolarHBondContact O-CB 3.35Å; D152-K156 PolarHBondContact O-N 3.15Å |
| 153 | K | 59.4 | Low | 68.7 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.8 | -50.5 | 169.9 | -66 | 167.2 | -161.6 | 165.6 | 0 | 111.4 | E149 N150 T155 K156 I157 | E149-K153 WeakPolarHBondContact O-CG 3.31Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.14Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.77Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å; N150-K153 PolarHBondContact O-N 2.91Å; N150-K153 PolarHBondContact OD1-NZ 3.02Å; K153-T155 PolarHBondContact O-N 3.41Å; K153-K156 PolarHBondContact O-N 3.49Å; K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.37Å; K153-I157 WeakPolarHBondContact O-CG1 3.34Å; K153-I157 PolarHBondContact O-N 2.97Å |
| 154 | E | 55.7 | Low | 67.3 | Low | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.5 | -75.9 | -174.8 | 175.6 | 0 | 0 | 112.7 | N150 R151 D152 I157 I158 | N150-E154 PolarHBondContact O-N 2.87Å; R151-E154 PolarHBondContact O-N 3.19Å; D152-E154 PolarHBondContact O-N 3.07Å; E154-I157 PolarHBondContact O-N 2.92Å; E154-I158 WeakPolarHBondContact O-CG1 3.33Å; E154-I158 PolarHBondContact O-N 3.46Å |
| 155 | T | 52.9 | Low | 66.1 | Low | 63 Ų | 63 | 96.9 Ų | 96.9 | 39% | 0.387 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 177.9 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | R151 D152 K153 I158 H159 | R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.18Å; D152-T155 WeakPolarHBondContact CA-OG1 3.42Å; D152-T155 PolarHBondContact O-N 3.49Å; D152-T155 PolarHBondContact O-OG1 2.87Å; D152-T155 VanDerWaalsContact O-OG1 3.09Å; K153-T155 PolarHBondContact O-N 3.41Å; T155-I158 PolarHBondContact O-N 3.21Å; T155-H159 WeakPolarHBondContact O-CB 3.31Å; T155-H159 PolarHBondContact O-N 3.49Å |
| 156 | K | 52.2 | Low | 65.2 | Low | 129 Ų | 129 | 97.2 Ų | 97.2 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.9 | -38 | 175.4 | -168.5 | 170.1 | -173.9 | 171.2 | 0 | 111.6 | D152 K153 M160 | D152-K156 WeakPolarHBondContact O-CB 3.35Å; D152-K156 PolarHBondContact O-N 3.15Å; K153-K156 PolarHBondContact O-N 3.49Å; K156-M160 WeakPolarHBondContact O-CB 3.33Å; K156-M160 VanDerWaalsContact O-CG 3.24Å; K156-M160 WeakPolarHBondContact O-CG 3.44Å; K156-M160 PolarHBondContact O-N 3.04Å |
| 157 | I | 53.4 | Low | 64.5 | Low | 109 Ų | 109 | 96.4 Ų | 96.4 | 56% | 0.559 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 172.4 | -68.2 | 160.2 | 0 | 0 | 0 | 110.9 | K153 E154 R161 | K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.37Å; K153-I157 WeakPolarHBondContact O-CG1 3.34Å; K153-I157 PolarHBondContact O-N 2.97Å; E154-I157 PolarHBondContact O-N 2.92Å; I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.43Å; I157-R161 PolarHBondContact O-N 3.24Å |
| 158 | I | 57.3 | Low | 64 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 177 | -68 | 164.9 | 0 | 0 | 0 | 110.8 | E154 T155 M160 R161 D162 | E154-I158 WeakPolarHBondContact O-CG1 3.33Å; E154-I158 PolarHBondContact O-N 3.46Å; T155-I158 PolarHBondContact O-N 3.21Å; I158-M160 PolarHBondContact O-N 2.98Å; I158-R161 PolarHBondContact O-N 3.32Å; I158-D162 PolarHBondContact O-N 2.84Å |
| 159 | H | 54.4 | Low | 63.9 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 57% | 0.569 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 179.1 | -174.1 | -104 | 0 | 0 | 0 | 112.4 | T155 D162 I163 | T155-H159 WeakPolarHBondContact O-CB 3.31Å; T155-H159 PolarHBondContact O-N 3.49Å; H159-D162 PolarHBondContact O-N 2.86Å; H159-I163 WeakPolarHBondContact O-CG1 3.4Å; H159-I163 PolarHBondContact O-N 2.91Å |
| 160 | M | 59.2 | Low | 63.7 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 172.2 | -75.6 | -67.2 | -168 | 0 | 0 | 111.8 | K156 I158 D162 I163 Y164 | K156-M160 WeakPolarHBondContact O-CB 3.33Å; K156-M160 VanDerWaalsContact O-CG 3.24Å; K156-M160 WeakPolarHBondContact O-CG 3.44Å; K156-M160 PolarHBondContact O-N 3.04Å; I158-M160 PolarHBondContact O-N 2.98Å; M160-D162 VanDerWaalsContact C-N 3.31Å; M160-D162 PolarHBondContact O-N 3.48Å; M160-I163 PolarHBondContact O-N 3.42Å; M160-Y164 HydrophobicContact CB-CD2 4.47Å; M160-Y164 HydrophobicContact CB-CE2 4.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.14Å; M160-Y164 PolarHBondContact O-N 3.35Å; M160-Y164 HydrophobicContact SD-CE2 4.16Å |
| 161 | R | 63.7 | Low | 63.5 | Low | 195 Ų | 195 | 101.3 Ų | 101.3 | 74% | 0.736 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -37.4 | -179.9 | -166.8 | 179.1 | -158.8 | 156.1 | 7.9 | 112.2 | I157 I158 S165 | I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.43Å; I157-R161 PolarHBondContact O-N 3.24Å; I158-R161 PolarHBondContact O-N 3.32Å; R161-S165 WeakPolarHBondContact O-CB 3.45Å; R161-S165 PolarHBondContact O-N 3.47Å |
| 162 | D | 61.2 | Low | 63.5 | Low | 106 Ų | 106 | 100.8 Ų | 100.8 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | 178 | -159.9 | 31.8 | 0 | 0 | 0 | 111.7 | I158 H159 M160 S165 T166 | I158-D162 PolarHBondContact O-N 2.84Å; H159-D162 PolarHBondContact O-N 2.86Å; M160-D162 VanDerWaalsContact C-N 3.31Å; M160-D162 PolarHBondContact O-N 3.48Å; D162-S165 PolarHBondContact O-N 3.44Å; D162-T166 WeakPolarHBondContact O-CB 3.43Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.26Å; D162-T166 PolarHBondContact O-OG1 3.06Å |
| 163 | I | 70.4 | Confident | 63.7 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 171.2 | -69.8 | 168.4 | 0 | 0 | 0 | 111.1 | H159 M160 S165 T166 V167 | H159-I163 WeakPolarHBondContact O-CG1 3.4Å; H159-I163 PolarHBondContact O-N 2.91Å; M160-I163 PolarHBondContact O-N 3.42Å; I163-S165 PolarHBondContact O-N 2.95Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 PolarHBondContact O-OG1 3.49Å; I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.92Å |
| 164 | Y | 62.3 | Low | 63.9 | Low | 147 Ų | 147 | 103.6 Ų | 103.6 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -35.8 | 178.8 | -71.1 | -62.1 | 0 | 0 | 0 | 112.4 | M160 I168 | M160-Y164 HydrophobicContact CB-CD2 4.47Å; M160-Y164 HydrophobicContact CB-CE2 4.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.14Å; M160-Y164 PolarHBondContact O-N 3.35Å; M160-Y164 HydrophobicContact SD-CE2 4.16Å; Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.34Å; Y164-I168 WeakPolarHBondContact O-CD1 3.17Å; Y164-I168 WeakPolarHBondContact O-CG1 3.26Å; Y164-I168 PolarHBondContact O-N 3.36Å |
| 165 | S | 64.9 | Low | 64.5 | Low | 71 Ų | 71 | 103.2 Ų | 103.2 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 177.6 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | R161 D162 I163 D169 | R161-S165 WeakPolarHBondContact O-CB 3.45Å; R161-S165 PolarHBondContact O-N 3.47Å; D162-S165 PolarHBondContact O-N 3.44Å; I163-S165 PolarHBondContact O-N 2.95Å; S165-D169 WeakPolarHBondContact O-CB 3.17Å; S165-D169 PolarHBondContact O-N 3.09Å |
| 166 | T | 70.7 | Confident | 64.9 | Low | 67 Ų | 67 | 106.3 Ų | 106.3 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | D162 I163 D169 I170 | D162-T166 WeakPolarHBondContact O-CB 3.43Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.26Å; D162-T166 PolarHBondContact O-OG1 3.06Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 PolarHBondContact O-OG1 3.49Å; T166-D169 PolarHBondContact O-N 3Å; T166-I170 WeakPolarHBondContact O-CB 3.42Å; T166-I170 WeakPolarHBondContact O-CD1 3.24Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.85Å |
| 167 | V | 72 | Confident | 65.2 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 172.7 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | I163 I170 H171 | I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.92Å; V167-I170 PolarHBondContact O-N 3.17Å; V167-H171 PolarHBondContact O-CD2 2.81Å; V167-H171 PolarHBondContact O-N 3.39Å |
| 168 | I | 72.8 | Confident | 65.3 | Low | 108 Ų | 108 | 106.6 Ų | 106.6 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 177.5 | -70.7 | 164.7 | 0 | 0 | 0 | 111.3 | Y164 H171 T172 | Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.34Å; Y164-I168 WeakPolarHBondContact O-CD1 3.17Å; Y164-I168 WeakPolarHBondContact O-CG1 3.26Å; Y164-I168 PolarHBondContact O-N 3.36Å; I168-H171 PolarHBondContact O-N 3Å; I168-T172 WeakPolarHBondContact O-CB 3.35Å; I168-T172 PolarHBondContact O-N 2.86Å; I168-T172 PolarHBondContact O-OG1 2.8Å |
| 169 | D | 73.3 | Confident | 65.3 | Low | 90 Ų | 90 | 109.7 Ų | 109.7 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.6 | -168 | 45.6 | 0 | 0 | 0 | 111.4 | S165 T166 H171 T172 L173 | S165-D169 WeakPolarHBondContact O-CB 3.17Å; S165-D169 PolarHBondContact O-N 3.09Å; T166-D169 PolarHBondContact O-N 3Å; D169-H171 VanDerWaalsContact C-N 3.33Å; D169-H171 PolarHBondContact O-N 3.3Å; D169-T172 CarbonylContact O-C 3.58Å; D169-T172 PolarHBondContact O-N 3.24Å; D169-T172 VanDerWaalsContact O-N 3.11Å; D169-L173 WeakPolarHBondContact O-CB 3.34Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 2.86Å |
| 170 | I | 77.6 | Confident | 65.3 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 174.1 | -73.2 | 160.4 | 0 | 0 | 0 | 111.5 | T166 V167 R174 | T166-I170 WeakPolarHBondContact O-CB 3.42Å; T166-I170 WeakPolarHBondContact O-CD1 3.24Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.85Å; V167-I170 PolarHBondContact O-N 3.17Å; I170-R174 WeakPolarHBondContact O-CB 3.46Å; I170-R174 WeakPolarHBondContact O-CG 3.2Å; I170-R174 PolarHBondContact O-N 3.14Å |
| 171 | H | 70.2 | Confident | 65.2 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 174.9 | -87.5 | -90.3 | 0 | 0 | 0 | 112.1 | V167 I168 D169 R174 I175 | V167-H171 PolarHBondContact O-CD2 2.81Å; V167-H171 PolarHBondContact O-N 3.39Å; I168-H171 PolarHBondContact O-N 3Å; D169-H171 VanDerWaalsContact C-N 3.33Å; D169-H171 PolarHBondContact O-N 3.3Å; H171-R174 PolarHBondContact O-N 3.46Å; H171-I175 WeakPolarHBondContact O-CB 3.34Å; H171-I175 WeakPolarHBondContact O-CD1 3.14Å; H171-I175 VanDerWaalsContact O-CG1 3.23Å; H171-I175 WeakPolarHBondContact O-CG1 3.3Å; H171-I175 PolarHBondContact O-N 2.87Å |
| 172 | T | 69.1 | Low | 64.6 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | I168 D169 K176 | I168-T172 WeakPolarHBondContact O-CB 3.35Å; I168-T172 PolarHBondContact O-N 2.86Å; I168-T172 PolarHBondContact O-OG1 2.8Å; D169-T172 CarbonylContact O-C 3.58Å; D169-T172 PolarHBondContact O-N 3.24Å; D169-T172 VanDerWaalsContact O-N 3.11Å; T172-K176 WeakPolarHBondContact O-CB 3.15Å; T172-K176 PolarHBondContact O-N 3.32Å |
| 173 | L | 65.2 | Low | 64.1 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 40% | 0.398 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 173.9 | -70.9 | 169.3 | 0 | 0 | 0 | 111 | D169 I175 K176 E177 | D169-L173 WeakPolarHBondContact O-CB 3.34Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 2.86Å; L173-I175 PolarHBondContact O-N 3.01Å; L173-K176 CarbonylContact O-C 3.56Å; L173-K176 WeakPolarHBondContact O-CB 3.41Å; L173-K176 PolarHBondContact O-N 3Å; L173-K176 VanDerWaalsContact O-N 3.08Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 WeakPolarHBondContact O-CG 3.1Å; L173-E177 PolarHBondContact O-N 3.31Å |
| 174 | R | 63.5 | Low | 62.8 | Low | 165 Ų | 165 | 106.6 Ų | 106.6 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 178.1 | -72.6 | -127 | -92.3 | 128.7 | -7.7 | 113 | I170 H171 K176 Q178 | I170-R174 WeakPolarHBondContact O-CB 3.46Å; I170-R174 WeakPolarHBondContact O-CG 3.2Å; I170-R174 PolarHBondContact O-N 3.14Å; H171-R174 PolarHBondContact O-N 3.46Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 3.29Å |
| 175 | I | 67.3 | Low | 62.1 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 56% | 0.564 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.2 | -37.5 | 173.9 | -69.6 | 165.2 | 0 | 0 | 0 | 110.9 | H171 L173 K179 | H171-I175 WeakPolarHBondContact O-CB 3.34Å; H171-I175 WeakPolarHBondContact O-CD1 3.14Å; H171-I175 VanDerWaalsContact O-CG1 3.23Å; H171-I175 WeakPolarHBondContact O-CG1 3.3Å; H171-I175 PolarHBondContact O-N 2.87Å; L173-I175 PolarHBondContact O-N 3.01Å; I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.07Å |
| 176 | K | 62 | Low | 61.3 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.7 | -42.5 | 178.1 | -173.2 | 176.2 | 178.2 | -178.4 | 0 | 112.6 | T172 L173 R174 K179 Q180 | T172-K176 WeakPolarHBondContact O-CB 3.15Å; T172-K176 PolarHBondContact O-N 3.32Å; L173-K176 CarbonylContact O-C 3.56Å; L173-K176 WeakPolarHBondContact O-CB 3.41Å; L173-K176 PolarHBondContact O-N 3Å; L173-K176 VanDerWaalsContact O-N 3.08Å; R174-K176 VanDerWaalsContact C-N 3.32Å; K176-K179 PolarHBondContact O-N 3.45Å; K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 3.49Å |
| 177 | E | 58.5 | Low | 59.9 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.5 | -44.9 | 173.7 | -73.5 | 175.9 | 156.2 | 0 | 0 | 111 | L173 K179 Q180 L181 | L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 WeakPolarHBondContact O-CG 3.1Å; L173-E177 PolarHBondContact O-N 3.31Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.89Å; E177-Q180 PolarHBondContact O-N 3.19Å; E177-Q180 VanDerWaalsContact O-N 3.13Å; E177-L181 PolarHBondContact O-N 2.93Å |
| 178 | Q | 55.1 | Low | 58.7 | Low | 132 Ų | 132 | 116.9 Ų | 116.9 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.3 | -42.6 | 173.2 | -174.7 | 175.2 | -2.8 | 0 | 0 | 111.5 | R174 Q180 L181 S182 | R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 3.29Å; Q178-Q180 VanDerWaalsContact C-N 3.3Å; Q178-Q180 PolarHBondContact O-N 2.65Å; Q178-L181 PolarHBondContact O-N 3.42Å; Q178-S182 PolarHBondContact O-N 3.13Å; Q178-S182 PolarHBondContact O-OG 3.37Å |
| 179 | K | 57.3 | Low | 56.9 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 73% | 0.73 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.9 | -26.1 | 176.1 | -172.3 | 168.3 | -178.1 | 173.8 | 0 | 113.6 | I175 K176 E177 G183 | I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.07Å; K176-K179 PolarHBondContact O-N 3.45Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.89Å; K179-G183 PolarHBondContact O-N 3.33Å |
| 180 | Q | 55.4 | Low | 55 | Low | 120 Ų | 120 | 119.5 Ų | 119.5 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.4 | -45 | 172 | -72 | -176.7 | -108.6 | 0 | 0 | 111.2 | K176 E177 Q178 S182 G183 D184 | K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 3.49Å; E177-Q180 PolarHBondContact O-N 3.19Å; E177-Q180 VanDerWaalsContact O-N 3.13Å; Q178-Q180 VanDerWaalsContact C-N 3.3Å; Q178-Q180 PolarHBondContact O-N 2.65Å; Q180-S182 VanDerWaalsContact C-N 3.28Å; Q180-S182 PolarHBondContact O-N 3.21Å; Q180-G183 WeakPolarHBondContact O-CA 3.14Å; Q180-G183 PolarHBondContact O-N 3.26Å; Q180-D184 PolarHBondContact O-N 2.97Å |
| 181 | L | 56 | Low | 52.9 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -60.9 | -33 | 174.5 | -82.6 | 159.5 | 0 | 0 | 0 | 113.3 | E177 Q178 G183 | E177-L181 PolarHBondContact O-N 2.93Å; Q178-L181 PolarHBondContact O-N 3.42Å; L181-G183 VanDerWaalsContact C-N 3.31Å |
| 182 | S | 51.6 | Low | 51.1 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -4.1 | 171.1 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | Q178 Q180 | Q178-S182 PolarHBondContact O-N 3.13Å; Q178-S182 PolarHBondContact O-OG 3.37Å; Q180-S182 VanDerWaalsContact C-N 3.28Å; Q180-S182 PolarHBondContact O-N 3.21Å |
| 183 | G | 51.7 | Low | 49.6 | Very low | 42 Ų | 42 | 128.4 Ų | 128.4 | 43% | 0.433 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K179 Q180 L181 F185 | K179-G183 PolarHBondContact O-N 3.33Å; Q180-G183 WeakPolarHBondContact O-CA 3.14Å; Q180-G183 PolarHBondContact O-N 3.26Å; L181-G183 VanDerWaalsContact C-N 3.31Å; G183-F185 PolarHBondContact O-N 3.08Å |
| 184 | D | 42.7 | Very low | 48.1 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -9.4 | -170.1 | -65.7 | -20.5 | 0 | 0 | 0 | 114.3 | Q180 | Q180-D184 PolarHBondContact O-N 2.97Š|
| 185 | F | 47.8 | Very low | 46.6 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 87% | 0.873 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -3 | -178.3 | -109 | -84.4 | 0 | 0 | 0 | 115.5 | G183 | G183-F185 PolarHBondContact O-N 3.08Š|
| 186 | T | 48.3 | Very low | 45.2 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.1 | 22.9 | -174.8 | -33.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 187 | G | 40.6 | Very low | 43.7 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -110.7 | 14.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 188 | L | 45.8 | Very low | 42.3 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -142.7 | 48.7 | -169.6 | -157 | 83.1 | 0 | 0 | 0 | 116.1 | ||
| 189 | L | 36.5 | Very low | 41.4 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | trans | -161.5 | 147.6 | 153.4 | -159.4 | 62.7 | 0 | 0 | 0 | 111.7 | ||||
| 190 | G | 32.1 | Very low | 40.2 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 101.2 | 93.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 191 | E | 34.3 | Very low | 39.4 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | -68 | 150.4 | 158.8 | -179.9 | 176.6 | -132.7 | 0 | 0 | 110.4 | ||||
| 192 | G | 32.9 | Very low | 38.5 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 177.1 | 82.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L194 | G192-L194 PolarHBondContact O-N 2.75Š| ||
| 193 | E | 36.6 | Very low | 38.1 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 115.5 | -177.7 | -178.2 | 177.7 | -161.5 | 0 | 0 | 112.2 | ||||
| 194 | L | 33.1 | Very low | 37.6 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -166.4 | 130.8 | 151.8 | -109.1 | 156.9 | 0 | 0 | 0 | 112.2 | G192 | G192-L194 PolarHBondContact O-N 2.75Š| ||
| 195 | R | 32.3 | Very low | 37.5 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -118.2 | 152.8 | 165.4 | -86.3 | -74.5 | 161.3 | -162.9 | -7.3 | 107.3 | ||||
| 196 | P | 39.3 | Very low | 37.1 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | cis | -144.7 | -172.3 | 44.1 | 42 | -22.8 | 0 | 0 | 0 | 116.6 | ||||
| 197 | S | 30.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 69.9 | 171.2 | 165.5 | -152.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 198 | G | 29.4 | Very low | 36.1 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 104.2 | 108 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S200 | G198-S200 PolarHBondContact O-N 2.72Š| ||
| 199 | S | 36 | Very low | 35.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -52.3 | 126.8 | 179.6 | 49.9 | 0 | 0 | 0 | 0 | 115.1 | C201 | S199-C201 PolarHBondContact O-N 2.87Š| ||
| 200 | S | 32.1 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -72.7 | 103.2 | 162.1 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | G198 A202 | G198-S200 PolarHBondContact O-N 2.72Å; S200-A202 PolarHBondContact O-N 3.11Å | ||
| 201 | C | 37.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -74.6 | 73.1 | 177.7 | -73 | 0 | 0 | 0 | 0 | 111.6 | S199 | S199-C201 PolarHBondContact O-N 2.87Š| ||
| 202 | A | 36.8 | Very low | 35.9 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | -61.2 | 139.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S200 R204 | S200-A202 PolarHBondContact O-N 3.11Å; A202-R204 PolarHBondContact O-N 3.36Å; A202-R204 VanDerWaalsContact O-N 3.15Å | ||
| 203 | S | 44.3 | Very low | 35.9 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -56.6 | 112.2 | -170.8 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 204 | R | 39.8 | Very low | 35.6 | Very low | 233 Ų | 233 | 133 Ų | 133 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -124.9 | 67.5 | 169.3 | -69.1 | -169.8 | 70.6 | -143.6 | 0.8 | 112.5 | A202 | A202-R204 PolarHBondContact O-N 3.36Å; A202-R204 VanDerWaalsContact O-N 3.15Å | ||
| 205 | L | 40.6 | Very low | 35.5 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -124.7 | 62.2 | 166 | -74.2 | 177.2 | 0 | 0 | 0 | 110.4 | ||||
| 206 | A | 40.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -151 | 55.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 207 | A | 33.6 | Very low | 34.9 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -163.1 | 100.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 208 | N | 35.1 | Very low | 34.8 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -143.8 | 43.1 | 158.6 | -137 | 1.3 | 0 | 0 | 0 | 111.4 | I210 | N208-I210 PolarHBondContact O-N 3.46Š| ||
| 209 | T | 33.1 | Very low | 34.8 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -82.5 | 100.9 | 167.2 | -55.5 | 0 | 0 | 0 | 0 | 107.9 | A211 | T209-A211 PolarHBondContact O-N 2.89Å; T209-A211 VanDerWaalsContact O-N 3.1Å | ||
| 210 | I | 38.7 | Very low | 34.3 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -67.8 | 108.2 | 174.3 | -57.2 | 169.8 | 0 | 0 | 0 | 108.3 | N208 | N208-I210 PolarHBondContact O-N 3.46Š| ||
| 211 | A | 34.4 | Very low | 34.2 | Very low | 80 Ų | 80 | 151.7 Ų | 151.7 | 66% | 0.661 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 142 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T209 | T209-A211 PolarHBondContact O-N 2.89Å; T209-A211 VanDerWaalsContact O-N 3.1Å |
| 212 | P | 37.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 162.1 | -172.3 | 31.2 | -36.4 | 0 | 0 | 0 | 113.2 | S214 | P212-S214 PolarHBondContact O-N 3.44Š|
| 213 | F | 32.2 | Very low | 33.1 | Very low | 216 Ų | 216 | 156.1 Ų | 156.1 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131.9 | 169.4 | -78.7 | -103.1 | 0 | 0 | 0 | 112 | ||
| 214 | S | 30.2 | Very low | 32.3 | Very low | 119 Ų | 119 | 155.1 Ų | 155.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -140.9 | 132.4 | 149.5 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | P212 | P212-S214 PolarHBondContact O-N 3.44Š| ||
| 215 | G | 31 | Very low | 31.6 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -81 | 129.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R217 | G215-R217 PolarHBondContact O-N 2.88Š| ||
| 216 | F | 29 | Very low | 31.1 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -53.3 | 122.3 | 173.7 | 178 | 92.3 | 0 | 0 | 0 | 112.8 | ||||
| 217 | R | 29.9 | Very low | 30.7 | Very low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -131.4 | 154.7 | 151.4 | -86.2 | -158.4 | 173.5 | -137.2 | -0.8 | 111 | G215 | G215-R217 PolarHBondContact O-N 2.88Š| ||
| 218 | R | 29.9 | Very low | 30.7 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 132.9 | -153.8 | -179.8 | 177.8 | 179.8 | 171.5 | -0.8 | 112 | ||||
| 219 | N | 28.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -72.3 | 145.9 | 171 | -71.5 | -43.6 | 0 | 0 | 0 | 111.8 | ||||
| 220 | F | 26.2 | Very low | 30.5 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -136 | 155.9 | 149.5 | -117.4 | -87.3 | 0 | 0 | 0 | 108.9 | ||||
| 221 | R | 29.5 | Very low | 30 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -143.7 | 127.3 | -168.4 | 171.1 | -151 | -76.5 | -123.1 | 0.5 | 109.9 | ||||
| 222 | M | 27.4 | Very low | 29.6 | Very low | 167 Ų | 167 | 154 Ų | 154 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -157.1 | 171.1 | 138.9 | -154.2 | 48 | 91.9 | 0 | 0 | 110.9 | ||||
| 223 | N | 25.4 | Very low | 29.2 | Very low | 124 Ų | 124 | 155 Ų | 155 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 174.4 | -156.3 | -42.9 | -31.9 | 0 | 0 | 0 | 114.6 | ||||
| 224 | S | 26.6 | Very low | 28.9 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 98.9 | 143.7 | 140.9 | -160.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 225 | S | 24.6 | Very low | 28.9 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 49.2 | 121.3 | 153.3 | 41.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 226 | A | 31.1 | Very low | 28.7 | Very low | 92 Ų | 92 | 154.2 Ų | 154.2 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | 97.2 | 137.8 | 39 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 227 | E | 31.8 | Very low | 29 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 80.8 | 119.5 | 167.3 | -50 | -167.6 | 160.3 | 0 | 0 | 119.3 | ||||
| 228 | E | 32.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | 54.8 | 116.7 | 138.5 | -59.6 | 176.6 | -169.4 | 0 | 0 | 122.2 | ||||
| 229 | N | 30.9 | Very low | 29 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | -171.4 | 170.4 | 103.8 | -106 | -86.1 | 0 | 0 | 0 | 113.6 | |||||
| 230 | E | 33.1 | Very low | 29 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -113.7 | -159.2 | -174.7 | -159.9 | 179.2 | -155.2 | 0 | 0 | 111.5 | ||||
| 231 | I | 28.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | 92.6 | 78.1 | 160.5 | -50.7 | 178.7 | 0 | 0 | 0 | 118.1 | ||||
| 232 | T | 26 | Very low | 29.2 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | 42.9 | 132.8 | 118.8 | 60.8 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 233 | L | 28.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 82.8 | 132.6 | 131.4 | -69.2 | 164.5 | 0 | 0 | 0 | 123.5 | ||||
| 234 | N | 27.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 65 | 167.5 | 143.9 | -62.7 | 3.5 | 0 | 0 | 0 | 120.8 | ||||
| 235 | E | 28.5 | Very low | 31.1 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -174.2 | 168.3 | -43.6 | -179.6 | 162 | 166 | 0 | 0 | 105.7 | ||||
| 236 | D | 28.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | 70 | 147.6 | 168.1 | -86.8 | -21 | 0 | 0 | 0 | 118 | ||||
| 237 | R | 34.3 | Very low | 31.3 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | cis | -165.2 | -170.9 | -26.5 | -138.5 | -178.6 | -171.7 | 105.4 | -6.7 | 108.9 | ||||
| 238 | T | 28.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | 76.2 | 137.8 | 169.7 | 75.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 239 | T | 32 | Very low | 31.1 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -150.3 | 169.3 | -8.3 | -0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 240 | A | 29 | Very low | 31 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -27.1 | 156 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | S | 28.9 | Very low | 31 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | -174.8 | 159.8 | 51 | 59.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 242 | L | 30.3 | Very low | 31 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | 72.8 | 150.6 | 164.2 | -53.5 | -175.5 | 0 | 0 | 0 | 119.7 | ||||
| 243 | L | 32.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -127.2 | 167.2 | -170.6 | -88.2 | 173 | 0 | 0 | 0 | 111.8 | ||||
| 244 | P | 44.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -103.1 | 172.5 | -167.2 | 40.8 | -37.4 | 0 | 0 | 0 | 115.2 | ||||
| 245 | P | 41.8 | Very low | 31.3 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -132.5 | 163.4 | 142.1 | 27.8 | -9.5 | 0 | 0 | 0 | 112.3 | ||||
| 246 | L | 29.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | cis | -160.7 | 177.4 | -13.2 | -114 | 170.2 | 0 | 0 | 0 | 110.6 | ||||
| 247 | L | 31 | Very low | 31.3 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -50.3 | 160.8 | 173.8 | -58.3 | 160.5 | 0 | 0 | 0 | 115.3 | ||||
| 248 | T | 31.2 | Very low | 30.9 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | -175.7 | 141.5 | 111.5 | -72.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 249 | E | 28.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -29.3 | 146.4 | 172.3 | -93.1 | -160 | 173.1 | 0 | 0 | 124.7 | ||||
| 250 | R | 28.3 | Very low | 30.9 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 73% | 0.725 | 79% | 0.792 | S | S | * | * | 85.4 | 109.3 | 117.4 | -167.9 | -175 | -144.6 | 125.3 | -2.2 | 123 | |||||
| 251 | S | 33.6 | Very low | 31 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 34.9 | 131.7 | 127.1 | -45.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 252 | G | 29 | Very low | 31.1 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | 132.1 | 159.9 | 120.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 253 | S | 27.8 | Very low | 31.3 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 64.2 | 141.3 | 171.9 | -67.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 254 | V | 31.4 | Very low | 31.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | cis | 114.6 | 111.5 | 14.7 | 164 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 255 | F | 28.9 | Very low | 30.9 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | 65.3 | 158.9 | 164.2 | -82.8 | -127 | 0 | 0 | 0 | 118.6 | ||||
| 256 | G | 27.4 | Very low | 30.5 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 154.4 | 70.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 257 | L | 28.9 | Very low | 30.6 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 137.9 | 170.7 | -64.6 | 159.8 | 0 | 0 | 0 | 111.1 | ||||
| 258 | Y | 26 | Very low | 31 | Very low | 216 Ų | 216 | 141 Ų | 141 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | 178 | 147.7 | 111.6 | -141.4 | -110.1 | 0 | 0 | 0 | 112.2 | |||||
| 259 | P | 32.7 | Very low | 31 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 156.9 | 175.8 | 34.5 | -36.2 | 0 | 0 | 0 | 114 | ||
| 260 | H | 27.6 | Very low | 31.3 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 149.1 | 169.3 | -164.2 | -79.4 | 0 | 0 | 0 | 111.5 | ||
| 261 | S | 31 | Very low | 31.4 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 160.8 | -176.7 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 262 | S | 31.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -148.1 | 152.8 | 148.2 | 59.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 263 | K | 33.3 | Very low | 31.5 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -116.4 | 145.4 | -172.4 | -59.2 | 173.3 | 178 | 178.2 | 0 | 110.9 | ||||
| 264 | A | 33.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -172.9 | 125 | 137.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 265 | S | 36.7 | Very low | 31.5 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 12.8 | 142.1 | 135.7 | -173.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 266 | D | 32.3 | Very low | 31.4 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | cis | -164.9 | 167 | -17.7 | -91.9 | -42.3 | 0 | 0 | 0 | 109.5 | ||||
| 267 | D | 32.7 | Very low | 31.7 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 42.7 | 94.7 | 158.5 | -69.2 | -18.4 | 0 | 0 | 0 | 121 | ||||
| 268 | K | 40.2 | Very low | 31.9 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | -160 | 125.8 | 111.5 | -108.8 | 150.8 | -171.5 | 162.2 | 0 | 115.8 | |||||
| 269 | N | 29.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 107.2 | 179.5 | 47.9 | -19.4 | 0 | 0 | 0 | 115.7 | ||||
| 270 | T | 34.7 | Very low | 32.2 | Very low | 139 Ų | 139 | 142 Ų | 142 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 141.2 | 148.7 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 271 | S | 31.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 129.6 | -176.7 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 272 | S | 32.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -110.6 | 124.6 | 166.6 | 54 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 273 | I | 33 | Very low | 32.4 | Very low | 170 Ų | 170 | 140 Ų | 140 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 133.3 | -178 | -71.5 | 173.2 | 0 | 0 | 0 | 110.3 | ||||
| 274 | K | 28.9 | Very low | 32.7 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 147.4 | -179 | -169.5 | -176.1 | -170.4 | -178.9 | 0 | 111.7 | ||||
| 275 | C | 28.6 | Very low | 33.2 | Very low | 133 Ų | 133 | 138 Ų | 138 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -170.8 | 100.3 | 141.7 | -108.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 276 | E | 27.1 | Very low | 33.2 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -97.5 | 154.9 | 164.1 | -152.5 | -159.4 | 127.9 | 0 | 0 | 109.7 | K278 | E276-K278 IonicContact OE1-NZ 2.84Å; E276-K278 PolarHBondContact OE1-NZ 2.86Å | ||
| 277 | T | 35 | Very low | 33.7 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 175.7 | -169.4 | -35.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 278 | K | 31.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | trans | 99.1 | 138.8 | 177.5 | -51.4 | 142.1 | -160.1 | 155.8 | 0 | 111.5 | E276 | E276-K278 IonicContact OE1-NZ 2.84Å; E276-K278 PolarHBondContact OE1-NZ 2.86Å | ||
| 279 | S | 27 | Very low | 34.4 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | cis | -162.6 | 132.6 | 3.1 | 125.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 280 | I | 39.2 | Very low | 35.1 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 68.4 | 159.1 | 144.8 | -45.9 | 165.8 | 0 | 0 | 0 | 118.8 | ||||
| 281 | V | 28.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 90 | 85.4 | 167.7 | -162.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 282 | S | 30.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 30.7 | 102.6 | 128.5 | -178.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 283 | S | 33.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | -160.2 | 167.7 | 126.6 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 284 | S | 39.9 | Very low | 37.8 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -91.5 | 141.2 | -173.2 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 285 | I | 44.2 | Very low | 39.2 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | -175.2 | 130.5 | 119 | -95 | 152.4 | 0 | 0 | 0 | 110.1 | A287 | I285-A287 HydrophobicContact CG2-CB 3.88Š| |||
| 286 | S | 37.2 | Very low | 40.2 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -107.1 | 74.7 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 109.6 | F288 | S286-F288 PolarHBondContact O-N 3.47Š| ||
| 287 | A | 41.3 | Very low | 41.1 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 78.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I285 | I285-A287 HydrophobicContact CG2-CB 3.88Š| ||
| 288 | F | 41.6 | Very low | 41.6 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -69.5 | 132.4 | 166.1 | -91.6 | -81.7 | 0 | 0 | 0 | 110.4 | S286 L290 | S286-F288 PolarHBondContact O-N 3.47Å; F288-L290 PolarHBondContact O-N 3.38Å | ||
| 289 | T | 45.7 | Very low | 42.1 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 114.8 | -170.2 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 290 | L | 45.2 | Very low | 42.9 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 145.2 | 160.1 | -65.9 | 177.7 | 0 | 0 | 0 | 109.6 | F288 V292 | F288-L290 PolarHBondContact O-N 3.38Å; L290-V292 PolarHBondContact O-N 2.82Å | ||
| 291 | P | 43.9 | Very low | 42.8 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -65.9 | 122.4 | 178.1 | 26.8 | -33.6 | 0 | 0 | 0 | 110.6 | I293 | P291-I293 PolarHBondContact O-N 3.47Å; P291-I293 VanDerWaalsContact O-N 3.14Å | ||
| 292 | V | 39.5 | Very low | 43.6 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -69.8 | 109.1 | -177 | -180 | 0 | 0 | 0 | 0 | 110.2 | L290 K294 | L290-V292 PolarHBondContact O-N 2.82Å; V292-K294 PolarHBondContact O-N 2.77Å; V292-K294 VanDerWaalsContact O-N 3.15Å | ||
| 293 | I | 53.5 | Low | 44.4 | Very low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 107 | 168.6 | -60.6 | 177.6 | 0 | 0 | 0 | 107.5 | P291 L295 | P291-I293 PolarHBondContact O-N 3.47Å; P291-I293 VanDerWaalsContact O-N 3.14Å; I293-L295 HydrophobicContact CG2-CD2 4.25Å; I293-L295 HydrophobicContact CG2-CG 4.37Å; I293-L295 PolarHBondContact O-N 2.92Å | ||
| 294 | K | 52.1 | Low | 44.4 | Very low | 193 Ų | 193 | 135.5 Ų | 135.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 93.4 | -178.7 | -174.4 | 179.5 | -178.5 | 178.1 | 0 | 110.7 | V292 | V292-K294 PolarHBondContact O-N 2.77Å; V292-K294 VanDerWaalsContact O-N 3.15Å | ||
| 295 | L | 57.3 | Low | 44.4 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -89 | 160.6 | 167 | -62.2 | -177.9 | 0 | 0 | 0 | 110.8 | I293 N297 | I293-L295 HydrophobicContact CG2-CD2 4.25Å; I293-L295 HydrophobicContact CG2-CG 4.37Å; I293-L295 PolarHBondContact O-N 2.92Å; L295-N297 PolarHBondContact O-N 3.41Å | ||
| 296 | N | 49.3 | Very low | 44.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -76.8 | 124.7 | -158.9 | -64.2 | -47 | 0 | 0 | 0 | 114.2 | C298 | N296-C298 PolarHBondContact O-N 3.4Å; N296-C298 VanDerWaalsContact O-N 3.15Å | ||
| 297 | N | 47.4 | Very low | 43.9 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 40.2 | 57.5 | 145.6 | -157 | 72.8 | 0 | 0 | 0 | 117.6 | L295 | L295-N297 PolarHBondContact O-N 3.41Š| ||
| 298 | C | 44.1 | Very low | 43.6 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | -106 | 118.6 | 160.7 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | N296 | N296-C298 PolarHBondContact O-N 3.4Å; N296-C298 VanDerWaalsContact O-N 3.15Å | ||
| 299 | V | 41.9 | Very low | 43.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 135.5 | 163 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 300 | I | 43.8 | Very low | 42.9 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | trans | -128.9 | 108.6 | 169.8 | -60.9 | 178 | 0 | 0 | 0 | 105.3 | ||||
| 301 | D | 38.7 | Very low | 42.3 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | -73 | 142.7 | 179.7 | -57.8 | -62.9 | 0 | 0 | 0 | 111 | P303 | D301-P303 WeakPolarHBondContact O-CD 3.38Š| ||
| 302 | E | 44.2 | Very low | 41.9 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 122.5 | 174.3 | -66.5 | -174.8 | 128.8 | 0 | 0 | 110.8 | G304 | E302-G304 PolarHBondContact O-N 2.94Š| ||
| 303 | P | 47.5 | Very low | 41.5 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -78.1 | 101.6 | 162.5 | 30.8 | -30.4 | 0 | 0 | 0 | 109.3 | D301 | D301-P303 WeakPolarHBondContact O-CD 3.38Š| ||
| 304 | G | 33.8 | Very low | 40.6 | Very low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -61.1 | 144.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E302 | E302-G304 PolarHBondContact O-N 2.94Š| ||
| 305 | I | 41.3 | Very low | 39.4 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -103.2 | 74 | -178 | 48.6 | 163.6 | 0 | 0 | 0 | 112 | N307 | I305-N307 PolarHBondContact O-N 3.35Š| ||
| 306 | D | 36.4 | Very low | 38 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -82.5 | 96.7 | -179.8 | -82.3 | -48 | 0 | 0 | 0 | 114 | ||||
| 307 | N | 33.2 | Very low | 36.9 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | 72 | 163.1 | 132.9 | -56.3 | -59.4 | 0 | 0 | 0 | 122.7 | I305 | I305-N307 PolarHBondContact O-N 3.35Š| ||
| 308 | I | 35.7 | Very low | 35.9 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 68% | 0.677 | 79% | 0.785 | S | S | * | * | trans | 77.9 | 107.8 | 163.1 | -42.3 | -169.8 | 0 | 0 | 0 | 117.7 | E310 | I308-E310 HydrophobicContact CG2-CB 3.82Å; I308-E310 HydrophobicContact CG2-CG 3.8Å | ||
| 309 | T | 34.4 | Very low | 35.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -109.8 | 96.5 | 156 | -64.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 310 | E | 38.6 | Very low | 34.5 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -138.8 | 112.3 | 175.5 | -73 | -174.8 | -129.9 | 0 | 0 | 112 | I308 | I308-E310 HydrophobicContact CG2-CB 3.82Å; I308-E310 HydrophobicContact CG2-CG 3.8Å | ||
| 311 | D | 32.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 5.5 | 156.5 | 152.3 | -62.9 | -15.4 | 0 | 0 | 0 | 124.5 | ||||
| 312 | S | 34.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 82.5 | 106.6 | 146.4 | -62.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 313 | E | 31.9 | Very low | 32.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 14.7 | 131.5 | 131.4 | -68.2 | -166.3 | 158.9 | 0 | 0 | 122.2 | ||||
| 314 | I | 33.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | 62.8 | 104.2 | 140.8 | -53.4 | 162.3 | 0 | 0 | 0 | 117.5 | ||||
| 315 | T | 27.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -162 | 144.1 | 116.2 | 11 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 316 | R | 27.3 | Very low | 30.9 | Very low | 242 Ų | 242 | 148.9 Ų | 148.9 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -81.8 | 128 | 176.3 | 158.5 | -153.8 | -94.7 | 153.9 | -11.4 | 111.1 | ||||
| 317 | S | 26.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -165.9 | 135.9 | 144.2 | 62 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 318 | R | 27.5 | Very low | 30.5 | Very low | 210 Ų | 210 | 148 Ų | 148 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | 51.5 | 106.2 | 146.2 | -140.5 | 175.3 | -150.9 | 165.4 | 6.8 | 119 | ||||
| 319 | S | 27.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | cis | 80 | 116.4 | 37.2 | 91.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 320 | R | 29.2 | Very low | 30.6 | Very low | 211 Ų | 211 | 147.5 Ų | 147.5 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 167 | 138.9 | 154.7 | -89.3 | -167.9 | -168.4 | 114.2 | -3.3 | 106.6 | ||||
| 321 | N | 27.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -142.1 | 170.3 | 0.2 | -92.6 | -25.7 | 0 | 0 | 0 | 111 | ||||
| 322 | L | 31.4 | Very low | 30.3 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -109.7 | 158.4 | -175.6 | -75 | 154.5 | 0 | 0 | 0 | 113.5 | ||||
| 323 | S | 25.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -172.7 | 140.3 | 148.8 | -96.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 324 | M | 31.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | cis | -134.5 | 160.8 | 0.5 | -79.1 | -176.9 | 61.9 | 0 | 0 | 111.3 | ||||
| 325 | D | 28.6 | Very low | 29.7 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 35.8 | 150.9 | 138 | -58.5 | 17.5 | 0 | 0 | 0 | 122.3 | ||||
| 326 | S | 28.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | -168.1 | 149.3 | -25.4 | 53.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 327 | L | 32.9 | Very low | 29.8 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | -176.8 | 166 | 84.5 | -82.3 | 168.4 | 0 | 0 | 0 | 110.1 | |||||
| 328 | A | 28.1 | Very low | 29.9 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -49 | 144.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 329 | I | 33 | Very low | 30 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | cis | 68.3 | 136.8 | 41.7 | -58.2 | 177.5 | 0 | 0 | 0 | 112.2 | ||||
| 330 | P | 39.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | cis | -122.9 | 173.2 | 4.7 | 30.3 | -10.3 | 0 | 0 | 0 | 116.3 | ||||
| 331 | L | 34.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -111.2 | 147.7 | 147.2 | -178.5 | 67.6 | 0 | 0 | 0 | 107.3 | ||||
| 332 | S | 31.5 | Very low | 31.3 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -124.1 | 152.1 | -175.5 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 333 | D | 25.4 | Very low | 31.2 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -83.1 | -174.1 | -169.1 | -77.8 | -64.5 | 0 | 0 | 0 | 116.8 | ||||
| 334 | T | 30.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 87.1 | 143.4 | 164.2 | 75 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 335 | N | 30 | Very low | 31.2 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -133.3 | 153.9 | 23.9 | -69 | -86.9 | 0 | 0 | 0 | 110.2 | ||||
| 336 | E | 30.9 | Very low | 32 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | 49.5 | 135.3 | 67.5 | -65.6 | -60.3 | 127.8 | 0 | 0 | 113.7 | |||||
| 337 | S | 27.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 144.1 Ų | 144.1 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | cis | -173.3 | -170.7 | -12.2 | -154 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 338 | Y | 27.2 | Very low | 31.8 | Very low | 220 Ų | 220 | 143.4 Ų | 143.4 | 86% | 0.863 | 77% | 0.768 | S | S | * | * | trans | 80.7 | 139.5 | 163 | -75 | -80.4 | 0 | 0 | 0 | 124.2 | ||||
| 339 | K | 29.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -119.3 | -179.3 | 157.2 | -70.9 | 178.6 | 177.7 | 176.5 | 0 | 106.7 | ||||
| 340 | P | 52.4 | Low | 31.8 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -132.5 | -161 | -51.5 | 38.4 | -20.6 | 0 | 0 | 0 | 111.8 | |||||
| 341 | L | 27.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | 91.9 | 159 | 151.4 | -156.1 | 57.7 | 0 | 0 | 0 | 119.2 | ||||
| 342 | T | 32 | Very low | 31.3 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -95.9 | 145 | -163.4 | 48.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 343 | T | 29 | Very low | 31.1 | Very low | 152 Ų | 152 | 144 Ų | 144 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -159.5 | 172.5 | 143 | -13 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 344 | M | 26.1 | Very low | 31.6 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -153.6 | 163.6 | -167.9 | -147.6 | -162.3 | 179.5 | 0 | 0 | 114.4 | ||||
| 345 | L | 30.6 | Very low | 32.6 | Very low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 70.8 | 167.8 | 164 | -62.7 | 174.2 | 0 | 0 | 0 | 117.3 | ||||
| 346 | P | 46.7 | Very low | 32.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | cis | -110.9 | -178.7 | -10.9 | 27.4 | -6.9 | 0 | 0 | 0 | 111.7 | ||||
| 347 | R | 29.6 | Very low | 32.3 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | cis | -164.6 | 169 | 29 | -133.5 | 154.2 | -178.5 | 158.1 | 2.4 | 105.7 | ||||
| 348 | H | 25.5 | Very low | 32.3 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 70% | 0.704 | 75% | 0.748 | S | S | * | * | cis | -165.3 | 178.4 | -2.6 | -136.1 | -157.1 | 0 | 0 | 0 | 105.1 | ||||
| 349 | N | 30.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | cis | -160.6 | 153.7 | -3.3 | -174.6 | 32.3 | 0 | 0 | 0 | 108.4 | ||||
| 350 | S | 32.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 57.6 | 146.3 | 169.1 | 55.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 351 | F | 28.7 | Very low | 31.3 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | cis | -148.7 | 123.8 | 6.4 | -154.8 | -108.3 | 0 | 0 | 0 | 105.7 | ||||
| 352 | V | 33.3 | Very low | 31.6 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | 56.3 | 123.6 | 93.1 | 170 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 353 | D | 28.5 | Very low | 31.6 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | cis | -160 | 144.5 | 1.6 | -115.2 | 2.8 | 0 | 0 | 0 | 110.3 | ||||
| 354 | A | 35.1 | Very low | 31.7 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | 85.5 | 179 | 100.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 355 | P | 51.8 | Low | 32.1 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -134.5 | -160.1 | -132.1 | 41.3 | -18.8 | 0 | 0 | 0 | 115.8 | ||||
| 356 | S | 28 | Very low | 32.2 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | trans | 79.5 | 123.9 | 166.4 | -113.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 357 | D | 26.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | 69.8 | 149.8 | 130.6 | -82.6 | -73.5 | 0 | 0 | 0 | 124.6 | ||||
| 358 | Q | 29 | Very low | 32.7 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | 75.9 | 123.1 | 140.3 | -85.4 | 177.2 | 45.2 | 0 | 0 | 122.6 | ||||
| 359 | F | 27.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | 80.6 | 150.8 | 134.3 | -88.7 | -54.2 | 0 | 0 | 0 | 120.6 | ||||
| 360 | K | 30 | Very low | 33.4 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | trans | 68 | 103.5 | 154.9 | -72.7 | 158.5 | -167.3 | 173.4 | 0 | 113 | ||||
| 361 | S | 30.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 69.2 | 147.9 | 79.9 | 83.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 362 | S | 32.3 | Very low | 33.9 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | cis | -169.6 | 163.1 | 23 | -143.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 363 | M | 32.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 162.9 | 152.8 | -53 | -101.7 | 97.1 | 0 | 0 | 114.6 | ||||
| 364 | T | 31.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | cis | -147.1 | 168 | -10.6 | -2.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 365 | L | 34.9 | Very low | 34.8 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -44.6 | 150.1 | 168.6 | -63.8 | 72.1 | 0 | 0 | 0 | 114.3 | ||||
| 366 | G | 32.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -166.6 | 83.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 367 | P | 51.5 | Low | 33.9 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -106.7 | 142.5 | -173.7 | 37.4 | -30.6 | 0 | 0 | 0 | 115.1 | ||||
| 368 | S | 35.1 | Very low | 34.2 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -167 | 119.5 | 159.1 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 369 | T | 36.5 | Very low | 34.5 | Very low | 142 Ų | 142 | 130 Ų | 130 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | 74.1 | 116.6 | 63 | 64.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 370 | G | 34 | Very low | 34.8 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 109.3 | 101.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 371 | K | 38.8 | Very low | 34.9 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | cis | 67.4 | 89.8 | 47.7 | -162.6 | -159.3 | -173.1 | -174.5 | 0 | 113.3 | ||||
| 372 | L | 33.6 | Very low | 35.2 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | 172.5 | 143.6 | 128.2 | -92.2 | 162.4 | 0 | 0 | 0 | 112.7 | |||||
| 373 | L | 36 | Very low | 35.2 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 55.4 | 116.5 | 152.8 | -57.9 | 170.2 | 0 | 0 | 0 | 121.3 | ||||
| 374 | S | 32.6 | Very low | 35.6 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 149.3 | 141 | -49.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 375 | P | 45.8 | Very low | 36 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -146.6 | 179.5 | 65.6 | 40.9 | -23 | 0 | 0 | 0 | 115.8 | |||||
| 376 | G | 28.4 | Very low | 36.1 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 123.2 | 84 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 377 | A | 34 | Very low | 36.6 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | 25.9 | 118.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 378 | A | 31.4 | Very low | 35.9 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -147.7 | 107.9 | 149 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 379 | R | 35.2 | Very low | 36 | Very low | 236 Ų | 236 | 139.1 Ų | 139.1 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | 51.5 | 95.5 | 131.3 | -169.4 | -174.2 | -176.6 | 177.1 | 1.6 | 119.4 | ||||
| 380 | K | 35.6 | Very low | 35.9 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | -170.4 | 115.3 | 115.8 | -106 | 176 | -174.9 | -179.1 | 0 | 112.1 | |||||
| 381 | Q | 30.9 | Very low | 36.2 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -100.5 | 154.5 | 143.5 | -77.6 | -169.3 | -9.8 | 0 | 0 | 108.1 | ||||
| 382 | F | 37 | Very low | 36 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -130.7 | 146.9 | 159.2 | -143.6 | -88 | 0 | 0 | 0 | 106.5 | ||||
| 383 | G | 31.2 | Very low | 36 | Very low | 51 Ų | 51 | 135.3 Ų | 135.3 | 53% | 0.526 | 78% | 0.783 | S | S | . | * | trans | -156.7 | -154 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 384 | S | 41.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 78 | 134 | -160.6 | 86.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 385 | N | 40.1 | Very low | 35.9 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | 119.6 | 108.1 | -4.8 | -68.2 | -4.3 | 0 | 0 | 0 | 113.5 | ||||
| 386 | T | 37.5 | Very low | 35.5 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 106.9 | 146.2 | 39.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 387 | S | 41.3 | Very low | 35.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 53.4 | 130.5 | 93.6 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 388 | L | 38.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | cis | -133.2 | 142.9 | 36.6 | -73.4 | 165 | 0 | 0 | 0 | 112.2 | ||||
| 389 | H | 36 | Very low | 36.3 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | 49.9 | 138.9 | 97.9 | -71.4 | -112.4 | 0 | 0 | 0 | 116 | |||||
| 390 | L | 35.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | cis | -127.7 | 145 | 17.2 | -74.2 | 82.3 | 0 | 0 | 0 | 114.5 | ||||
| 391 | L | 39.6 | Very low | 37 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 36.8 | 115.1 | 136.7 | -56.5 | 176.9 | 0 | 0 | 0 | 119.3 | ||||
| 392 | S | 34.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | 72.9 | 127 | 76.9 | -164.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 393 | S | 33.2 | Very low | 37.1 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | -158.9 | 138.2 | 58.9 | -64.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 394 | H | 33.4 | Very low | 37.8 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 54.7 | 91.6 | 141.7 | -67.4 | -65.8 | 0 | 0 | 0 | 121.9 | ||||
| 395 | S | 33.8 | Very low | 37.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -30.2 | 148.2 | 139 | 44.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 396 | K | 35.9 | Very low | 37.3 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -164.7 | 126.6 | 138.3 | -97.6 | 155 | -177.6 | -179.9 | 0 | 106.7 | ||||
| 397 | S | 38.2 | Very low | 37 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | 84.9 | 85.5 | 35.7 | 83.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 398 | L | 39.2 | Very low | 36.6 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -162.9 | 103.8 | 161.3 | -132.5 | 151.3 | 0 | 0 | 0 | 104 | ||||
| 399 | D | 34.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | 76.4 | 143.2 | 63.6 | -160.4 | 21.1 | 0 | 0 | 0 | 112.7 | |||||
| 400 | L | 51.3 | Low | 36.1 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -111.2 | 120.7 | -152.6 | -71.8 | 165.4 | 0 | 0 | 0 | 114.1 | ||||
| 401 | D | 33.5 | Very low | 36.3 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | -151 | 157.6 | 145 | -162.2 | 23.7 | 0 | 0 | 0 | 113 | ||||
| 402 | R | 33.9 | Very low | 36.1 | Very low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 30 | 119.2 | 158 | -83.7 | 172.8 | 179.9 | 84.8 | 0.2 | 120.7 | ||||
| 403 | G | 36.2 | Very low | 36.4 | Very low | 69 Ų | 69 | 138.2 Ų | 138.2 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 111.4 | 154 | 126.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 404 | P | 47.3 | Very low | 36.5 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -84.3 | 128.5 | -175.8 | 32.9 | -32.9 | 0 | 0 | 0 | 111.8 | ||||
| 405 | S | 31.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -145.4 | 138.5 | 161.9 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 406 | T | 39.3 | Very low | 36.8 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -86.3 | 127.1 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 407 | L | 31.1 | Very low | 37.4 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -127.3 | 150.8 | 166.1 | -162.3 | 60.5 | 0 | 0 | 0 | 111.5 | ||||
| 408 | T | 32.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | trans | -120.9 | 156.3 | -156.8 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 409 | V | 31.6 | Very low | 37.8 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 116.3 | 155.5 | 173.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 410 | Q | 31.7 | Very low | 38.5 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -154.9 | 141.8 | 112.3 | -100.3 | -60.3 | 7.3 | 0 | 0 | 109.7 | |||||
| 411 | A | 39.3 | Very low | 38.1 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -136.7 | 75.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q413 | A411-Q413 PolarHBondContact O-N 3.06Š| ||
| 412 | E | 35.9 | Very low | 38.9 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 98.3 | 179.6 | -176.1 | 73.5 | -160.5 | 0 | 0 | 110.8 | R414 | E412-R414 PolarHBondContact O-N 2.94Å; E412-R414 IonicContact OE1-CZ 2.65Å; E412-R414 IonicContact OE1-NE 2.65Å; E412-R414 PolarHBondContact OE1-NE 2.81Å; E412-R414 IonicContact OE1-NH2 3.37Å; E412-R414 PolarHBondContact OE1-NH2 3.14Å | ||
| 413 | Q | 41.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 122.5 | 171.1 | -80.9 | -166.7 | -13.7 | 0 | 0 | 111 | A411 | A411-Q413 PolarHBondContact O-N 3.06Š| ||
| 414 | R | 34.8 | Very low | 40 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 104.8 | 152.7 | -69.3 | -166.2 | -175.3 | 169.7 | 10.7 | 113.9 | E412 | E412-R414 PolarHBondContact O-N 2.94Å; E412-R414 IonicContact OE1-CZ 2.65Å; E412-R414 IonicContact OE1-NE 2.65Å; E412-R414 PolarHBondContact OE1-NE 2.81Å; E412-R414 IonicContact OE1-NH2 3.37Å; E412-R414 PolarHBondContact OE1-NH2 3.14Å | ||
| 415 | K | 36.6 | Very low | 40 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | 76.2 | 136.9 | 152.3 | -56.3 | -176.3 | 178.4 | -176.3 | 0 | 117.4 | ||||
| 416 | H | 38.6 | Very low | 40.9 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -103.9 | 176 | -166.7 | -63.5 | -65.3 | 0 | 0 | 0 | 110 | ||||
| 417 | P | 47.9 | Very low | 41.6 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -145.6 | -166.9 | 26.2 | 43.2 | -21.1 | 0 | 0 | 0 | 118.8 | ||||
| 418 | S | 39.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 66.6 | 59.7 | 163.1 | 70 | 0 | 0 | 0 | 0 | 120 | ||||
| 419 | W | 46 | Very low | 43.7 | Very low | 224 Ų | 224 | 150.3 Ų | 150.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -139.9 | 132.7 | 145.1 | -79.2 | 85.5 | 0 | 0 | 0 | 109.6 | R421 | W419-R421 PolarHBondContact O-N 3.48Å; W419-R421 VanDerWaalsContact O-N 3.11Å | ||
| 420 | P | 49.1 | Very low | 44.2 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -67.8 | 107.1 | 170.8 | -16.2 | 30.6 | 0 | 0 | 0 | 109.9 | ||||
| 421 | R | 43.3 | Very low | 45.2 | Very low | 221 Ų | 221 | 154.9 Ų | 154.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 120.2 | 170.2 | -82.4 | -176.6 | 160.9 | 86.1 | -3.1 | 109 | W419 D423 | W419-R421 PolarHBondContact O-N 3.48Å; W419-R421 VanDerWaalsContact O-N 3.11Å; R421-D423 PolarHBondContact O-N 3.32Å; R421-D423 VanDerWaalsContact O-N 3.1Å | ||
| 422 | L | 49.4 | Very low | 45.3 | Very low | 180 Ų | 180 | 158.4 Ų | 158.4 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 102.5 | 168.7 | -176.1 | 70.7 | 0 | 0 | 0 | 108.1 | ||||
| 423 | D | 42.8 | Very low | 46 | Very low | 129 Ų | 129 | 160.4 Ų | 160.4 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 136.6 | -169 | -152.3 | -3.7 | 0 | 0 | 0 | 112.1 | R421 S425 | R421-D423 PolarHBondContact O-N 3.32Å; R421-D423 VanDerWaalsContact O-N 3.1Å; D423-S425 PolarHBondContact O-N 2.9Å | ||
| 424 | R | 50.6 | Low | 45.9 | Very low | 239 Ų | 239 | 158.9 Ų | 158.9 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 24 | -167.2 | -155.6 | -178 | 177.4 | -179.3 | -0.5 | 112.9 | ||
| 425 | S | 47.8 | Very low | 46.1 | Very low | 97 Ų | 97 | 156 Ų | 156 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -12 | -168.3 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | D423 | D423-S425 PolarHBondContact O-N 2.9Š|
| 426 | N | 50.6 | Low | 46.3 | Very low | 136 Ų | 136 | 154.9 Ų | 154.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -120 | 66.5 | 176.7 | -164.9 | 2.7 | 0 | 0 | 0 | 113.5 | ||||
| 427 | S | 53.7 | Low | 46.5 | Very low | 91 Ų | 91 | 155 Ų | 155 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -96.3 | 15.1 | 167.1 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | G429 | S427-G429 PolarHBondContact O-N 3.37Š| ||
| 428 | K | 52.6 | Low | 46.1 | Very low | 203 Ų | 203 | 157.2 Ų | 157.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 53.2 | -173.9 | -161.3 | 175.9 | -178.8 | 178.6 | 0 | 112.6 | ||
| 429 | G | 54.3 | Low | 46.3 | Very low | 68 Ų | 68 | 157.6 Ų | 157.6 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.7 | -9 | -178 | 0 | 0 | 0 | 0 | 0 | 116.4 | S427 | S427-G429 PolarHBondContact O-N 3.37Š|
| 430 | Y | 42.8 | Very low | 45.6 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -105.5 | 106.7 | 179 | -66 | -79.2 | 0 | 0 | 0 | 110.7 | K432 | Y430-K432 PolarHBondContact O-N 2.92Š| ||
| 431 | M | 52.8 | Low | 45.1 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -67 | 129.8 | 168.4 | -86.8 | -154.2 | 69.9 | 0 | 0 | 110.4 | L433 | M431-L433 PolarHBondContact O-N 2.77Š| ||
| 432 | K | 40.2 | Very low | 44.7 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -72.7 | 105.1 | 170 | -172.7 | -166.5 | -173.8 | -162.9 | 0 | 108.4 | Y430 E434 | Y430-K432 PolarHBondContact O-N 2.92Å; K432-E434 VanDerWaalsContact CE-OE2 3.23Å; K432-E434 WeakPolarHBondContact CE-OE2 3.47Å; K432-E434 IonicContact NZ-OE1 2.59Å; K432-E434 IonicContact NZ-OE2 3.25Å; K432-E434 PolarHBondContact NZ-OE2 2.98Å; K432-E434 PolarHBondContact O-N 2.87Å | ||
| 433 | L | 50.1 | Low | 44.2 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | -81.9 | 106.3 | 170.7 | -146 | 113.4 | 0 | 0 | 0 | 108.2 | M431 | M431-L433 PolarHBondContact O-N 2.77Š| ||
| 434 | E | 40.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 57% | 0.57 | 79% | 0.788 | S | S | * | * | trans | -130.8 | 127.5 | 176 | -179.2 | 170.6 | -147.8 | 0 | 0 | 108.9 | K432 | K432-E434 VanDerWaalsContact CE-OE2 3.23Å; K432-E434 WeakPolarHBondContact CE-OE2 3.47Å; K432-E434 IonicContact NZ-OE1 2.59Å; K432-E434 IonicContact NZ-OE2 3.25Å; K432-E434 PolarHBondContact NZ-OE2 2.98Å; K432-E434 PolarHBondContact O-N 2.87Å | ||
| 435 | N | 39 | Very low | 43.1 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 25.9 | 107.4 | 165.9 | -62.8 | -48.9 | 0 | 0 | 0 | 117.8 | ||||
| 436 | K | 39.9 | Very low | 42.5 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | -169.7 | 123 | 117.2 | -101.1 | 165.5 | 175.8 | -69.9 | 0 | 113.1 | |||||
| 437 | E | 42 | Very low | 41.8 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 17.5 | 121.8 | 135.7 | 36.2 | -173.5 | 175.6 | 0 | 0 | 118.4 | ||||
| 438 | D | 40.1 | Very low | 41 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -54.7 | 146.3 | 171.7 | -65.3 | -70.3 | 0 | 0 | 0 | 112.4 | ||||
| 439 | P | 44.9 | Very low | 40.4 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -146.9 | 148 | 101.6 | 36.5 | -21.2 | 0 | 0 | 0 | 117 | |||||
| 440 | M | 30.1 | Very low | 39.9 | Very low | 166 Ų | 166 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 67.9 | 116.6 | 148.1 | -73.8 | -69.1 | 160.5 | 0 | 0 | 121.5 | ||||
| 441 | D | 38.8 | Very low | 40.3 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 26.9 | 99 | 136.4 | -77.4 | -21.6 | 0 | 0 | 0 | 119 | ||||
| 442 | R | 35.3 | Very low | 40.6 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -148.4 | 105.2 | 132.2 | -117.2 | 167.9 | -169 | 178.5 | 3.9 | 113.9 | ||||
| 443 | L | 40.1 | Very low | 41.1 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -13.5 | 118.7 | 159.4 | -65 | 163.4 | 0 | 0 | 0 | 116.3 | ||||
| 444 | L | 32.3 | Very low | 42.1 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -161.9 | 117.6 | 134.5 | -111.9 | 166.1 | 0 | 0 | 0 | 110.6 | P446 | L444-P446 WeakPolarHBondContact O-CD 3.33Š| ||
| 445 | V | 36.6 | Very low | 44 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 110 | Q447 | V445-Q447 PolarHBondContact O-N 3.03Š|
| 446 | P | 35.2 | Very low | 45.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.6 | 166.3 | -16.6 | 32 | 0 | 0 | 0 | 109.4 | L444 | L444-P446 WeakPolarHBondContact O-CD 3.33Š|
| 447 | Q | 36.4 | Very low | 47.2 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148 | -179.6 | -71.6 | -173.6 | -11.3 | 0 | 0 | 112 | V445 | V445-Q447 PolarHBondContact O-N 3.03Š|
| 448 | A | 35.8 | Very low | 48.7 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V450 | A448-V450 PolarHBondContact O-N 3.1Š|
| 449 | A | 41.8 | Very low | 50.5 | Low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -60.6 | 111 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K451 | A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.08Å | ||
| 450 | V | 43.2 | Very low | 51.8 | Low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | trans | -64.4 | 110.1 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | A448 K452 | A448-V450 PolarHBondContact O-N 3.1Å; V450-K452 PolarHBondContact O-N 2.65Å | ||
| 451 | K | 51.9 | Low | 53.7 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | trans | -64.8 | 101 | 165.1 | -71.1 | -178.9 | 178.7 | 177.1 | 0 | 108.5 | A449 | A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.08Å | ||
| 452 | K | 57.7 | Low | 55.4 | Low | 165 Ų | 165 | 132.1 Ų | 132.1 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | -78.1 | 120.7 | 164.3 | -89.7 | -175.6 | 171.8 | 178.8 | 0 | 109.1 | V450 F454 | V450-K452 PolarHBondContact O-N 2.65Å; K452-F454 VanDerWaalsContact O-CD2 3.23Å; K452-F454 WeakPolarHBondContact O-CD2 3.45Å; K452-F454 PolarHBondContact O-N 2.89Å | ||
| 453 | D | 51.3 | Low | 56.9 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -75.1 | 90.1 | 174.5 | -76.4 | -53.3 | 0 | 0 | 0 | 110.9 | T455 | D453-T455 PolarHBondContact O-N 3.22Š| ||
| 454 | F | 71.6 | Confident | 57.7 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 42% | 0.417 | 65% | 0.648 | S | S | . | * | trans | -54.2 | 128 | 175.6 | -65.2 | -84.5 | 0 | 0 | 0 | 111.2 | K452 E458 K459 | K452-F454 VanDerWaalsContact O-CD2 3.23Å; K452-F454 WeakPolarHBondContact O-CD2 3.45Å; K452-F454 PolarHBondContact O-N 2.89Å; F454-E458 HydrophobicContact CD1-CG 4.08Å; F454-K459 HydrophobicContact CB-CG 4.04Å; F454-K459 WeakPolarHBondContact O-CE 3.36Å; F454-K459 PolarHBondContact O-NZ 2.94Å | ||
| 455 | T | 79.5 | Confident | 58.8 | Low | 60 Ų | 60 | 122.2 Ų | 122.2 | 37% | 0.368 | 64% | 0.642 | S | S | . | * | trans | -71 | 155.6 | -176.5 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | D453 K457 E458 K459 | D453-T455 PolarHBondContact O-N 3.22Å; T455-K457 VanDerWaalsContact C-N 3.26Å; T455-K457 PolarHBondContact O-N 3.41Å; T455-K457 WeakPolarHBondContact OG1-CE 3.21Å; T455-K457 WeakPolarHBondContact OG1-CG 3.37Å; T455-E458 PolarHBondContact N-OE2 3.42Å; T455-E458 VanDerWaalsContact N-OE2 3.15Å; T455-E458 WeakPolarHBondContact O-CA 3.38Å; T455-E458 VanDerWaalsContact O-CB 3.3Å; T455-E458 WeakPolarHBondContact O-CB 3.28Å; T455-E458 PolarHBondContact O-N 2.93Å; T455-E458 WeakPolarHBondContact OG1-CB 3.43Å; T455-E458 PolarHBondContact OG1-OE2 2.98Å; T455-K459 PolarHBondContact O-N 2.93Å | ||
| 456 | N | 72.4 | Confident | 59.6 | Low | 125 Ų | 125 | 120 Ų | 120 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.5 | -34.4 | -176.3 | -86.5 | -9.5 | 0 | 0 | 0 | 113.5 | E458 L460 | N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.39Å; N456-L460 WeakPolarHBondContact O-CB 3.41Å; N456-L460 PolarHBondContact O-N 3.11Å |
| 457 | K | 75.1 | Confident | 60.2 | Low | 159 Ų | 159 | 120.9 Ų | 120.9 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.6 | -35.2 | 171.9 | 57.9 | 179.4 | -179.1 | 178.8 | 0 | 113 | T455 L461 | T455-K457 VanDerWaalsContact C-N 3.26Å; T455-K457 PolarHBondContact O-N 3.41Å; T455-K457 WeakPolarHBondContact OG1-CE 3.21Å; T455-K457 WeakPolarHBondContact OG1-CG 3.37Å; K457-L461 WeakPolarHBondContact O-CG 3.23Å; K457-L461 PolarHBondContact O-N 3.24Å |
| 458 | E | 72.6 | Confident | 60.8 | Low | 81 Ų | 81 | 118.3 Ų | 118.3 | 38% | 0.379 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -81.2 | -39.4 | -176.9 | -166 | 174 | -168.3 | 0 | 0 | 111.2 | F454 T455 N456 L460 L461 M462 | F454-E458 HydrophobicContact CD1-CG 4.08Å; T455-E458 PolarHBondContact N-OE2 3.42Å; T455-E458 VanDerWaalsContact N-OE2 3.15Å; T455-E458 WeakPolarHBondContact O-CA 3.38Å; T455-E458 VanDerWaalsContact O-CB 3.3Å; T455-E458 WeakPolarHBondContact O-CB 3.28Å; T455-E458 PolarHBondContact O-N 2.93Å; T455-E458 WeakPolarHBondContact OG1-CB 3.43Å; T455-E458 PolarHBondContact OG1-OE2 2.98Å; N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.39Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 3Å; E458-L461 PolarHBondContact O-N 3.25Å; E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.32Å |
| 459 | K | 77.3 | Confident | 61.2 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 40% | 0.4 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.3 | -42.7 | 167.8 | -71.4 | 168.6 | 171.2 | 144.1 | 0 | 111.6 | F454 T455 M462 I463 | F454-K459 HydrophobicContact CB-CG 4.04Å; F454-K459 WeakPolarHBondContact O-CE 3.36Å; F454-K459 PolarHBondContact O-NZ 2.94Å; T455-K459 PolarHBondContact O-N 2.93Å; K459-M462 PolarHBondContact O-N 3.34Å; K459-I463 VanDerWaalsContact O-CG1 3.31Å; K459-I463 WeakPolarHBondContact O-CG1 3.28Å; K459-I463 PolarHBondContact O-N 2.95Å |
| 460 | L | 72.3 | Confident | 61.6 | Low | 117 Ų | 117 | 123.8 Ų | 123.8 | 61% | 0.613 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.7 | -39.3 | 173.4 | -85.8 | 161.9 | 0 | 0 | 0 | 112.7 | N456 E458 I463 S464 | N456-L460 WeakPolarHBondContact O-CB 3.41Å; N456-L460 PolarHBondContact O-N 3.11Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 3Å; L460-I463 PolarHBondContact O-N 3.49Å; L460-S464 VanDerWaalsContact O-CB 3.31Å; L460-S464 WeakPolarHBondContact O-CB 3.44Å; L460-S464 PolarHBondContact O-N 2.96Å |
| 461 | L | 71.3 | Confident | 61.5 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -38.2 | 174.6 | -76.6 | 165 | 0 | 0 | 0 | 112.8 | K457 E458 R465 | K457-L461 WeakPolarHBondContact O-CG 3.23Å; K457-L461 PolarHBondContact O-N 3.24Å; E458-L461 PolarHBondContact O-N 3.25Å; L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 PolarHBondContact O-N 2.84Å |
| 462 | M | 73.1 | Confident | 61.2 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -42.1 | 173.3 | -71.7 | 176.8 | 66.4 | 0 | 0 | 112.1 | E458 K459 S466 | E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.32Å; K459-M462 PolarHBondContact O-N 3.34Å; M462-S466 PolarHBondContact O-N 3.14Å |
| 463 | I | 66.9 | Low | 60.6 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.8 | -48 | 176.7 | -66.1 | 163 | 0 | 0 | 0 | 110.3 | K459 L460 R465 S466 H467 | K459-I463 VanDerWaalsContact O-CG1 3.31Å; K459-I463 WeakPolarHBondContact O-CG1 3.28Å; K459-I463 PolarHBondContact O-N 2.95Å; L460-I463 PolarHBondContact O-N 3.49Å; I463-R465 VanDerWaalsContact C-N 3.3Å; I463-R465 PolarHBondContact O-N 3.33Å; I463-S466 PolarHBondContact O-N 3.15Å; I463-S466 PolarHBondContact O-OG 3.22Å; I463-H467 PolarHBondContact O-CD2 3.26Å |
| 464 | S | 58.3 | Low | 60.2 | Low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.5 | -41.3 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | L460 S466 H467 | L460-S464 VanDerWaalsContact O-CB 3.31Å; L460-S464 WeakPolarHBondContact O-CB 3.44Å; L460-S464 PolarHBondContact O-N 2.96Å; S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 2.97Å; S464-H467 PolarHBondContact O-N 3.48Å |
| 465 | R | 54.6 | Low | 58.9 | Low | 201 Ų | 201 | 125.1 Ų | 125.1 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66 | -21.8 | 175.3 | -85.9 | -176.7 | 164.4 | 152.4 | -3.4 | 114.9 | L461 I463 N469 | L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 PolarHBondContact O-N 2.84Å; I463-R465 VanDerWaalsContact C-N 3.3Å; I463-R465 PolarHBondContact O-N 3.33Å; R465-N469 PolarHBondContact O-ND2 3.28Å |
| 466 | S | 52.3 | Low | 57.3 | Low | 73 Ų | 73 | 128.9 Ų | 128.9 | 51% | 0.51 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.8 | -27.1 | 179.5 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | M462 I463 S464 | M462-S466 PolarHBondContact O-N 3.14Å; I463-S466 PolarHBondContact O-N 3.15Å; I463-S466 PolarHBondContact O-OG 3.22Å; S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 2.97Å |
| 467 | H | 49.8 | Very low | 55.9 | Low | 139 Ų | 139 | 131.6 Ų | 131.6 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.3 | -175.8 | -63.8 | -60.8 | 0 | 0 | 0 | 115 | I463 S464 | I463-H467 PolarHBondContact O-CD2 3.26Å; S464-H467 PolarHBondContact O-N 3.48Å |
| 468 | N | 47.8 | Very low | 54.5 | Low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 9 | -171.6 | -133.5 | 49.6 | 0 | 0 | 0 | 114.9 | ||
| 469 | N | 44.2 | Very low | 53.2 | Low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -101 | 29.6 | -177.6 | -58 | -76.7 | 0 | 0 | 0 | 112.9 | R465 | R465-N469 PolarHBondContact O-ND2 3.28Š|
| 470 | L | 50 | Low | 51.4 | Low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -139 | 21.5 | -172.6 | -129.8 | 171 | 0 | 0 | 0 | 113.4 | ||
| 471 | S | 41.3 | Very low | 50 | Low | 89 Ų | 89 | 136.3 Ų | 136.3 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -148.4 | 24.1 | 179.7 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 472 | F | 44.9 | Very low | 48.8 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -129.1 | 48.6 | -179 | -147.3 | -87.1 | 0 | 0 | 0 | 112.3 | ||
| 473 | E | 45.6 | Very low | 47.2 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -139.3 | 11.8 | 178.9 | -139.1 | 173.9 | -179.9 | 0 | 0 | 113.2 | ||
| 474 | H | 43.4 | Very low | 45.9 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -126.9 | -15.1 | -176.3 | -86.9 | -32.2 | 0 | 0 | 0 | 117.3 | ||
| 475 | D | 43.3 | Very low | 44.9 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.8 | -14 | -179.4 | -79.7 | -44.9 | 0 | 0 | 0 | 115 | F477 | D475-F477 VanDerWaalsContact C-N 3.3Å; D475-F477 PolarHBondContact O-N 3.15Å |
| 476 | E | 46.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -9.6 | -176.1 | -63.7 | -161.8 | 152.7 | 0 | 0 | 114.7 | ||
| 477 | F | 42.7 | Very low | 44 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -3.8 | -172.6 | -80.5 | -76.5 | 0 | 0 | 0 | 116.1 | D475 | D475-F477 VanDerWaalsContact C-N 3.3Å; D475-F477 PolarHBondContact O-N 3.15Å |
| 478 | L | 45.4 | Very low | 43.7 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -108.2 | -7.5 | -176.1 | -75.4 | 172.1 | 0 | 0 | 0 | 115.7 | ||
| 479 | S | 45.7 | Very low | 43.6 | Very low | 90 Ų | 90 | 150.4 Ų | 150.4 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -91 | -16 | -170.1 | 54.9 | 0 | 0 | 0 | 0 | 116 | ||
| 480 | N | 40.4 | Very low | 43.5 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -107.7 | 10 | -160.2 | -79.5 | -51.6 | 0 | 0 | 0 | 117 | ||
| 481 | N | 41.8 | Very low | 42.7 | Very low | 160 Ų | 160 | 158.5 Ų | 158.5 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -128.2 | 28.8 | -173 | -100.2 | -64.7 | 0 | 0 | 0 | 116.7 | ||
| 482 | L | 45.5 | Very low | 42.8 | Very low | 161 Ų | 161 | 162 Ų | 162 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -142.4 | 55.7 | 171.7 | -151.9 | 76.1 | 0 | 0 | 0 | 115.4 | ||||
| 483 | K | 40.9 | Very low | 42.6 | Very low | 219 Ų | 219 | 161.5 Ų | 161.5 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -99 | 69.3 | 165.1 | -162.2 | 173 | -175 | 177.3 | 0 | 111.4 | ||||
| 484 | R | 38.3 | Very low | 42.5 | Very low | 233 Ų | 233 | 160.9 Ų | 160.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -94.8 | 128.9 | 178.7 | -167.9 | 179.7 | -163.8 | 169.2 | 5.8 | 110.9 | ||||
| 485 | G | 37.5 | Very low | 42.4 | Very low | 63 Ų | 63 | 160.2 Ų | 160.2 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | 60.2 | 94.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | S487 | G485-S487 PolarHBondContact O-N 3.27Š| ||
| 486 | T | 45.8 | Very low | 42.4 | Very low | 152 Ų | 152 | 161.6 Ų | 161.6 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | -70.6 | 106 | 148.4 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 487 | S | 42.4 | Very low | 42.1 | Very low | 105 Ų | 105 | 163.1 Ų | 163.1 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -135.5 | 95.3 | 169 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | G485 | G485-S487 PolarHBondContact O-N 3.27Š| ||
| 488 | E | 44.7 | Very low | 42 | Very low | 163 Ų | 163 | 161.8 Ų | 161.8 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | -19.5 | 124.8 | 151.1 | 177 | 179.7 | -160.8 | 0 | 0 | 115.3 | ||||
| 489 | T | 44.4 | Very low | 41.8 | Very low | 146 Ų | 146 | 161.7 Ų | 161.7 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -133.1 | 158.3 | 136.3 | 46.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 490 | R | 43.8 | Very low | 41.5 | Very low | 207 Ų | 207 | 167.7 Ų | 167.7 | 78% | 0.781 | 85% | 0.849 | S | S | * | * | trans | -125.1 | 165.5 | -156.9 | -154.5 | -153.1 | 177.8 | 109.5 | -9.9 | 110.5 | ||||
| 491 | F | 31.9 | Very low | 41.5 | Very low | 268 Ų | 268 | 170.6 Ų | 170.6 | 100% | 1.175 | 86% | 0.86 | S | S | * | * | trans | -92.5 | 0 | 147.6 | -84.7 | -80.1 | 0 | 0 | 0 | 108.8 |
Retrieved 491 of 491 residues in 71.4 ms
(Link to these results)