| 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 | 33.6 | Very low | 39.9 | Very low | 231 Ų | 231 | 163.5 Ų | 163.5 | 100% | 1.138 | 83% | 0.83 | S | S | * | * | 0 | 110.8 | 0 | -84.1 | -63.4 | -171 | 0 | 0 | 107.5 | |||||
| 2 | S | 34.3 | Very low | 39.7 | Very low | 112 Ų | 112 | 168 Ų | 168 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | 60.7 | 161.7 | 174.2 | -58.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | T | 39.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 171.7 Ų | 171.7 | 72% | 0.724 | 83% | 0.828 | S | S | * | * | cis | -161.5 | 134.6 | -32.1 | 26.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | D | 39 | Very low | 39 | Very low | 131 Ų | 131 | 173.9 Ų | 173.9 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | trans | 174.5 | 132.9 | 137.1 | -94.4 | -26.9 | 0 | 0 | 0 | 108 | ||||
| 5 | R | 41.4 | Very low | 39 | Very low | 215 Ų | 215 | 173.7 Ų | 173.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | 58.2 | 107.6 | 65.2 | -70 | -178 | 162.1 | -177.5 | -0.8 | 113.5 | |||||
| 6 | F | 37.6 | Very low | 38.8 | Very low | 206 Ų | 206 | 170.1 Ų | 170.1 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | -152.3 | 174 | 122.2 | -101.2 | -66.8 | 0 | 0 | 0 | 109.8 | |||||
| 7 | K | 39.3 | Very low | 39.1 | Very low | 197 Ų | 197 | 167.6 Ų | 167.6 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -109.4 | 149 | -159.1 | -65.9 | 175.1 | 179.8 | 172.6 | 0 | 113.7 | ||||
| 8 | V | 43.5 | Very low | 38.7 | Very low | 129 Ų | 129 | 162.7 Ų | 162.7 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | trans | -73.7 | 135 | 165.2 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | P | 52.2 | Low | 38.4 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -77 | 138.3 | 167.2 | -10.5 | 27.4 | 0 | 0 | 0 | 111.6 | ||||
| 10 | I | 41.6 | Very low | 38.6 | Very low | 150 Ų | 150 | 165.3 Ų | 165.3 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -103.9 | 108.4 | 173.1 | -63.3 | 165.9 | 0 | 0 | 0 | 108.2 | ||||
| 11 | E | 37.7 | Very low | 38.4 | Very low | 193 Ų | 193 | 163.3 Ų | 163.3 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -73.5 | 131.6 | 170.6 | -69.4 | -145.6 | 131.3 | 0 | 0 | 111.2 | ||||
| 12 | R | 36.6 | Very low | 38.7 | Very low | 217 Ų | 217 | 157.3 Ų | 157.3 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | trans | -102.3 | 115.4 | -175.6 | -74.5 | -177.7 | 171.2 | -176.4 | -2.4 | 111.2 | F14 | R12-F14 PolarHBondContact O-N 3.21Å; R12-F14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | R | 35.4 | Very low | 38.8 | Very low | 216 Ų | 216 | 161 Ų | 161 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -28.7 | 111.1 | 157.8 | 173.3 | -165.6 | -84.3 | 170.1 | -6.6 | 112.3 | K15 | R13-K15 HydrophobicContact CG-CG 4.23Š| ||
| 14 | F | 35.1 | Very low | 38.7 | Very low | 203 Ų | 203 | 164 Ų | 164 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -84.9 | 135.6 | 158 | -81.2 | -89.2 | 0 | 0 | 0 | 110.1 | R12 | R12-F14 PolarHBondContact O-N 3.21Å; R12-F14 VanDerWaalsContact O-N 3.14Å | ||
| 15 | K | 38.5 | Very low | 38.4 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 74% | 0.739 | 83% | 0.828 | S | S | * | * | trans | -131.2 | 119.5 | 167.6 | -86.3 | -170.9 | 169.9 | -167.1 | 0 | 107.6 | R13 | R13-K15 HydrophobicContact CG-CG 4.23Š| ||
| 16 | S | 36.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 160.2 Ų | 160.2 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81 | 150.5 | 172.7 | -59 | 0 | 0 | 0 | 0 | 110.9 | ||
| 17 | P | 43 | Very low | 38.6 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 153.4 | -169 | 32.5 | -36.3 | 0 | 0 | 0 | 113.1 | ||
| 18 | G | 32.3 | Very low | 38.8 | Very low | 79 Ų | 79 | 157.4 Ų | 157.4 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 141.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 19 | S | 33.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 157.3 Ų | 157.3 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 143.7 | 167.9 | 47.5 | 0 | 0 | 0 | 0 | 111 | ||
| 20 | R | 41.8 | Very low | 38.5 | Very low | 253 Ų | 253 | 156.4 Ų | 156.4 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -116.9 | 126.3 | 164 | -79.7 | -175.9 | 173 | -174.4 | -1.8 | 108.6 | ||||
| 21 | S | 35.6 | Very low | 39.2 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -137.1 | 134.8 | 152.6 | 50.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 22 | S | 38.4 | Very low | 39.8 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -104.9 | 140.2 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 23 | Q | 37.3 | Very low | 40.6 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -149 | 143.3 | 133.1 | -73 | -151.4 | 0.4 | 0 | 0 | 109.7 | ||||
| 24 | H | 36.8 | Very low | 41.4 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -84.1 | 128.1 | 164.5 | -77.6 | -59.3 | 0 | 0 | 0 | 109.5 | ||||
| 25 | G | 33.4 | Very low | 42.5 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -130.9 | 113.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S27 | G25-S27 PolarHBondContact O-N 3.31Š| ||
| 26 | H | 42.3 | Very low | 43.5 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | trans | -73.2 | 108.6 | 176 | -71.9 | -84.9 | 0 | 0 | 0 | 110 | ||||
| 27 | S | 39.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -104.3 | 148.7 | 169.9 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | G25 | G25-S27 PolarHBondContact O-N 3.31Š| ||
| 28 | R | 45.2 | Very low | 45.9 | Very low | 225 Ų | 225 | 150.9 Ų | 150.9 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | trans | -73.5 | 152.6 | -177.1 | -72.7 | 173.3 | 168.1 | 173.7 | -5.5 | 111.3 | S30 | R28-S30 PolarHBondContact O-N 2.67Š| ||
| 29 | P | 43.5 | Very low | 47.3 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 97.9 | 176.5 | 29.2 | -34.8 | 0 | 0 | 0 | 111 | K31 | P29-K31 PolarHBondContact O-N 2.97Š| ||
| 30 | S | 45.6 | Very low | 48.5 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | trans | -68.5 | 115.3 | 166 | 42.7 | 0 | 0 | 0 | 0 | 109.4 | R28 V32 | R28-S30 PolarHBondContact O-N 2.67Å; S30-V32 PolarHBondContact O-N 2.66Å | ||
| 31 | K | 54.7 | Low | 49.1 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -70.1 | 81.3 | 169.6 | -75.4 | -175.2 | 174.9 | -178.7 | 0 | 109.7 | P29 L33 | P29-K31 PolarHBondContact O-N 2.97Å; K31-L33 PolarHBondContact O-N 2.81Å | ||
| 32 | V | 51.2 | Low | 50.1 | Low | 116 Ų | 116 | 144.5 Ų | 144.5 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -76.9 | 115.2 | 168.3 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | S30 | S30-V32 PolarHBondContact O-N 2.66Š| ||
| 33 | L | 52.6 | Low | 50.6 | Low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -76.4 | 127.4 | 172.5 | -68 | 171.7 | 0 | 0 | 0 | 109.2 | K31 | K31-L33 PolarHBondContact O-N 2.81Š| ||
| 34 | A | 53.8 | Low | 51 | Low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 59.8 | 123.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | R36 | A34-R36 PolarHBondContact O-N 3.4Š|
| 35 | E | 57.3 | Low | 51.9 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -59.6 | 130.8 | 156.9 | -173.7 | 175.2 | 171.7 | 0 | 0 | 108 | N37 | E35-N37 PolarHBondContact O-N 3.31Š| ||
| 36 | R | 59 | Low | 52.9 | Low | 235 Ų | 235 | 142.6 Ų | 142.6 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 127.1 | 176.4 | -78.1 | -178.4 | 161.8 | 109.8 | -4.5 | 108.3 | A34 Q38 | A34-R36 PolarHBondContact O-N 3.4Å; R36-Q38 PolarHBondContact O-N 3.44Å | ||
| 37 | N | 64 | Low | 53.4 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -39.8 | 124 | 176.2 | -67.8 | -17.1 | 0 | 0 | 0 | 110.6 | E35 A39 | E35-N37 PolarHBondContact O-N 3.31Å; N37-A39 PolarHBondContact O-N 3.44Å | ||
| 38 | Q | 65.3 | Low | 54 | Low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -55.7 | 138 | 179.2 | -69.4 | 179.5 | -1.1 | 0 | 0 | 109.4 | R36 V40 | R36-Q38 PolarHBondContact O-N 3.44Å; Q38-V40 PolarHBondContact O-N 2.86Å | ||
| 39 | A | 62.4 | Low | 53.8 | Low | 92 Ų | 92 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -57.2 | 118.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | N37 V41 | N37-A39 PolarHBondContact O-N 3.44Å; A39-V41 VanDerWaalsContact C-N 3.29Å; A39-V41 PolarHBondContact O-N 2.67Å | ||
| 40 | V | 58 | Low | 54 | Low | 143 Ų | 143 | 133.3 Ų | 133.3 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -68 | 93 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | Q38 A42 | Q38-V40 PolarHBondContact O-N 2.86Å; V40-A42 PolarHBondContact O-N 3.45Å | ||
| 41 | V | 55.3 | Low | 54.2 | Low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -58.9 | 128.1 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | A39 V43 | A39-V41 VanDerWaalsContact C-N 3.29Å; A39-V41 PolarHBondContact O-N 2.67Å; V41-V43 PolarHBondContact O-N 3.04Å | ||
| 42 | A | 56.5 | Low | 53.7 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -61.6 | 100.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V40 G44 | V40-A42 PolarHBondContact O-N 3.45Å; A42-G44 PolarHBondContact O-N 3.18Å | ||
| 43 | V | 49.3 | Very low | 53.6 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.4 | 164.9 | 177.7 | 0 | 0 | 0 | 0 | 105.8 | V41 A45 | V41-V43 PolarHBondContact O-N 3.04Å; V43-A45 PolarHBondContact O-N 3.14Å |
| 44 | G | 45.5 | Very low | 54 | Low | 54 Ų | 54 | 134.3 Ų | 134.3 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 135.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A42 W46 | A42-G44 PolarHBondContact O-N 3.18Å; G44-W46 PolarHBondContact O-N 3.43Å; G44-W46 VanDerWaalsContact O-N 3.1Å |
| 45 | A | 55.2 | Low | 54.3 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | V43 V47 | V43-A45 PolarHBondContact O-N 3.14Å; A45-V47 PolarHBondContact O-N 3.46Å |
| 46 | W | 54.7 | Low | 55 | Low | 236 Ų | 236 | 131.9 Ų | 131.9 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | trans | -71.7 | 80.3 | 174.9 | -72.9 | 80.9 | 0 | 0 | 0 | 108.3 | G44 E48 | G44-W46 PolarHBondContact O-N 3.43Å; G44-W46 VanDerWaalsContact O-N 3.1Å; W46-E48 VanDerWaalsContact C-N 3.29Å; W46-E48 PolarHBondContact O-N 3.23Å | ||
| 47 | V | 51.7 | Low | 55.8 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | -72 | 93.8 | 164.2 | -177.9 | 0 | 0 | 0 | 0 | 105.8 | A45 V49 | A45-V47 PolarHBondContact O-N 3.46Å; V47-V49 PolarHBondContact O-N 2.73Å | ||
| 48 | E | 53.1 | Low | 56.3 | Low | 161 Ų | 161 | 119.3 Ų | 119.3 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -51.3 | 129.7 | 163.3 | -65.8 | -175.3 | 138.5 | 0 | 0 | 107.9 | W46 G50 | W46-E48 VanDerWaalsContact C-N 3.29Å; W46-E48 PolarHBondContact O-N 3.23Å; E48-G50 VanDerWaalsContact C-N 3.26Å; E48-G50 PolarHBondContact O-N 3.41Å | ||
| 49 | V | 42 | Very low | 56.6 | Low | 141 Ų | 141 | 116 Ų | 116 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -70.4 | 92.9 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 106.4 | V47 Q51 | V47-V49 PolarHBondContact O-N 2.73Å; V49-Q51 PolarHBondContact O-N 2.88Å | ||
| 50 | G | 46.5 | Very low | 57.2 | Low | 44 Ų | 44 | 113.3 Ų | 113.3 | 45% | 0.454 | 65% | 0.647 | S | S | . | * | trans | -56.4 | 126.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E48 | E48-G50 VanDerWaalsContact C-N 3.26Å; E48-G50 PolarHBondContact O-N 3.41Å | ||
| 51 | Q | 50.6 | Low | 58.2 | Low | 158 Ų | 158 | 109 Ų | 109 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -48.3 | 148.1 | 142.3 | -91.9 | 76.8 | 26.2 | 0 | 0 | 108.8 | V49 F53 | V49-Q51 PolarHBondContact O-N 2.88Å; Q51-F53 VanDerWaalsContact C-N 3.29Å; Q51-F53 VanDerWaalsContact O-CD2 3.27Å; Q51-F53 WeakPolarHBondContact O-CD2 3.31Å; Q51-F53 PolarHBondContact O-N 3.38Å | ||
| 52 | D | 43.8 | Very low | 59.4 | Low | 160 Ų | 160 | 108.5 Ų | 108.5 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -61.5 | 89.6 | 175.8 | -62.4 | -73.2 | 0 | 0 | 0 | 110.7 | L54 | D52-L54 PolarHBondContact O-N 3.26Š| ||
| 53 | F | 48.9 | Very low | 60.3 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | trans | -66.1 | 102.2 | 175.9 | -66.9 | -73.6 | 0 | 0 | 0 | 108.5 | Q51 E55 | Q51-F53 VanDerWaalsContact C-N 3.29Å; Q51-F53 VanDerWaalsContact O-CD2 3.27Å; Q51-F53 WeakPolarHBondContact O-CD2 3.31Å; Q51-F53 PolarHBondContact O-N 3.38Å; F53-E55 PolarHBondContact O-N 3.36Å | ||
| 54 | L | 61.6 | Low | 61.7 | Low | 179 Ų | 179 | 102.3 Ų | 102.3 | 94% | 0.937 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -53.7 | -18.4 | 172.8 | -72 | 163.2 | 0 | 0 | 0 | 113.2 | D52 | D52-L54 PolarHBondContact O-N 3.26Š|
| 55 | E | 59.9 | Low | 63.6 | Low | 65 Ų | 65 | 105.3 Ų | 105.3 | 30% | 0.304 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -119 | 118.8 | 174.9 | -67.9 | 164.2 | -146.7 | 0 | 0 | 109.7 | F53 L60 R320 | F53-E55 PolarHBondContact O-N 3.36Å; E55-L60 HydrophobicContact CB-CD2 4.38Å; E55-L60 HydrophobicContact CB-CG 4.43Å; E55-L60 WeakPolarHBondContact OE2-CD2 3.33Å; E55-R320 IonicContact OE1-CZ 3.71Å; E55-R320 VanDerWaalsContact OE1-CZ 3.32Å; E55-R320 IonicContact OE1-NH1 3.97Å; E55-R320 PolarHBondContact OE1-NH1 3.39Å; E55-R320 IonicContact OE1-NH2 3.21Å; E55-R320 PolarHBondContact OE1-NH2 3.49Å; E55-R320 IonicContact OE2-CZ 2.77Å; E55-R320 IonicContact OE2-NH1 3.09Å; E55-R320 PolarHBondContact OE2-NH1 2.85Å |
| 56 | H | 72.3 | Confident | 65.1 | Low | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | trans | -56.3 | 137.2 | -179.9 | -177.8 | -96.6 | 0 | 0 | 0 | 111.5 | A58 N59 | H56-A58 WeakPolarHBondContact ND1-CB 3.35Å; H56-A58 PolarHBondContact ND1-N 3.23Å; H56-A58 PolarHBondContact O-N 3.06Å; H56-N59 WeakPolarHBondContact O-CB 3.32Å; H56-N59 PolarHBondContact O-N 3.25Å | ||
| 57 | P | 74.2 | Confident | 66.5 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -26.9 | -170 | 19.8 | -33.3 | 0 | 0 | 0 | 114.7 | N59 L60 A61 | P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.34Å; P57-L60 PolarHBondContact O-N 3.34Å; P57-A61 PolarHBondContact O-N 3.13Å |
| 58 | A | 74.6 | Confident | 68.1 | Low | 49 Ų | 49 | 94.6 Ų | 94.6 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H56 A61 L62 | H56-A58 WeakPolarHBondContact ND1-CB 3.35Å; H56-A58 PolarHBondContact ND1-N 3.23Å; H56-A58 PolarHBondContact O-N 3.06Å; A58-A61 PolarHBondContact O-N 2.99Å; A58-L62 WeakPolarHBondContact O-CG 3.34Å; A58-L62 PolarHBondContact O-N 3.44Å |
| 59 | N | 72.9 | Confident | 69.8 | Low | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 177.5 | -59.9 | -3.1 | 0 | 0 | 0 | 110.3 | H56 P57 A61 L62 L63 | H56-N59 WeakPolarHBondContact O-CB 3.32Å; H56-N59 PolarHBondContact O-N 3.25Å; P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.34Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 3.38Å; N59-L62 PolarHBondContact O-N 3.36Å; N59-L63 WeakPolarHBondContact O-CG 3.28Å; N59-L63 PolarHBondContact O-N 3.07Å |
| 60 | L | 73.4 | Confident | 71.8 | Confident | 35 Ų | 35 | 84 Ų | 84 | 18% | 0.183 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 172.8 | -65.1 | 175.1 | 0 | 0 | 0 | 111.4 | E55 P57 L63 T64 | E55-L60 HydrophobicContact CB-CD2 4.38Å; E55-L60 HydrophobicContact CB-CG 4.43Å; E55-L60 WeakPolarHBondContact OE2-CD2 3.33Å; P57-L60 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 3.02Å; L60-T64 WeakPolarHBondContact O-CG2 3.19Å; L60-T64 PolarHBondContact O-N 3.05Å; L60-T64 PolarHBondContact O-OG1 3.1Å |
| 61 | A | 79.4 | Confident | 73.7 | Confident | 52 Ų | 52 | 88.4 Ų | 88.4 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P57 A58 N59 T64 E65 | P57-A61 PolarHBondContact O-N 3.13Å; A58-A61 PolarHBondContact O-N 2.99Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 3.38Å; A61-T64 WeakPolarHBondContact CA-OG1 3.3Å; A61-T64 PolarHBondContact O-OG1 3.44Å; A61-E65 WeakPolarHBondContact O-CB 3.49Å; A61-E65 PolarHBondContact O-N 3.43Å |
| 62 | L | 80.9 | Confident | 75.6 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 174.3 | -71.3 | 168.5 | 0 | 0 | 0 | 111.9 | A58 N59 E65 E66 | A58-L62 WeakPolarHBondContact O-CG 3.34Å; A58-L62 PolarHBondContact O-N 3.44Å; N59-L62 PolarHBondContact O-N 3.36Å; L62-E65 PolarHBondContact O-N 3.4Å; L62-E66 PolarHBondContact O-N 3.01Å |
| 63 | L | 76.4 | Confident | 77.9 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.2 | -70.1 | 167.8 | 0 | 0 | 0 | 112.2 | N59 L60 E66 L67 L314 A317 | N59-L63 WeakPolarHBondContact O-CG 3.28Å; N59-L63 PolarHBondContact O-N 3.07Å; L60-L63 PolarHBondContact O-N 3.02Å; L63-E66 PolarHBondContact O-N 3.07Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.12Å; L63-L314 HydrophobicContact CD2-CD2 3.92Å; L63-A317 HydrophobicContact CB-CB 4.31Å; L63-A317 HydrophobicContact CD1-CB 4.24Å |
| 64 | T | 78.4 | Confident | 79.9 | Confident | 45 Ų | 45 | 85 Ų | 85 | 28% | 0.276 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 175.2 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | L60 A61 L67 Q68 L321 | L60-T64 WeakPolarHBondContact O-CG2 3.19Å; L60-T64 PolarHBondContact O-N 3.05Å; L60-T64 PolarHBondContact O-OG1 3.1Å; A61-T64 WeakPolarHBondContact CA-OG1 3.3Å; A61-T64 PolarHBondContact O-OG1 3.44Å; T64-L67 PolarHBondContact O-N 3.34Å; T64-Q68 WeakPolarHBondContact O-CB 3.47Å; T64-Q68 VanDerWaalsContact O-CG 3.26Å; T64-Q68 WeakPolarHBondContact O-CG 3.39Å; T64-Q68 PolarHBondContact O-N 3.1Å; T64-L321 HydrophobicContact CG2-CD1 3.78Å; T64-L321 HydrophobicContact CG2-CD2 3.79Å; T64-L321 HydrophobicContact CG2-CG 4.37Å |
| 65 | E | 85.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 80.9 Ų | 80.9 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.5 | -176.3 | 172.9 | -165.4 | 0 | 0 | 111.7 | A61 L62 Q68 A69 | A61-E65 WeakPolarHBondContact O-CB 3.49Å; A61-E65 PolarHBondContact O-N 3.43Å; L62-E65 PolarHBondContact O-N 3.4Å; E65-Q68 PolarHBondContact O-N 3.42Å; E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.18Å; E65-A69 PolarHBondContact O-N 3.46Å |
| 66 | E | 86.3 | Confident | 83.1 | Confident | 89 Ų | 89 | 82.9 Ų | 82.9 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.5 | 179.7 | 164.3 | -164.1 | 0 | 0 | 111.8 | L62 L63 Q68 A69 Q70 L314 | L62-E66 PolarHBondContact O-N 3.01Å; L63-E66 PolarHBondContact O-N 3.07Å; E66-Q68 PolarHBondContact O-N 2.82Å; E66-A69 CarbonylContact O-C 3.55Å; E66-A69 PolarHBondContact O-N 2.89Å; E66-A69 VanDerWaalsContact O-N 3.14Å; E66-Q70 HydrophobicContact CG-CG 4.45Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.11Å; E66-Q70 PolarHBondContact OE1-NE2 2.77Å; E66-L314 HydrophobicContact CB-CD2 4.41Å; E66-L314 HydrophobicContact CG-CD2 4.11Å |
| 67 | L | 83.9 | Confident | 84.2 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.5 | -73.5 | 170.2 | 0 | 0 | 0 | 111.8 | L63 T64 A69 Q70 K71 L314 A317 R318 L321 | L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.12Å; T64-L67 PolarHBondContact O-N 3.34Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.97Å; L67-Q70 PolarHBondContact O-N 2.86Å; L67-K71 PolarHBondContact O-N 3.33Å; L67-L314 HydrophobicContact CD2-CB 4.49Å; L67-L314 HydrophobicContact CD2-CD2 4.19Å; L67-L314 HydrophobicContact CG-CD2 4.2Å; L67-A317 HydrophobicContact CD1-CB 4.25Å; L67-R318 HydrophobicContact CD1-CB 4.06Å; L67-R318 HydrophobicContact CD2-CB 4.21Å; L67-L321 HydrophobicContact CD1-CD1 3.76Å |
| 68 | Q | 85.2 | Confident | 85.3 | Confident | 112 Ų | 112 | 80.6 Ų | 80.6 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 173.6 | -71.9 | 178.9 | 18.5 | 0 | 0 | 112.1 | T64 E65 E66 K71 R72 | T64-Q68 WeakPolarHBondContact O-CB 3.47Å; T64-Q68 VanDerWaalsContact O-CG 3.26Å; T64-Q68 WeakPolarHBondContact O-CG 3.39Å; T64-Q68 PolarHBondContact O-N 3.1Å; E65-Q68 PolarHBondContact O-N 3.42Å; E66-Q68 PolarHBondContact O-N 2.82Å; Q68-K71 PolarHBondContact O-N 3.08Å; Q68-R72 WeakPolarHBondContact O-CG 3.45Å; Q68-R72 PolarHBondContact O-N 3.34Å |
| 69 | A | 88.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 82.9 Ų | 82.9 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.6 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E65 E66 L67 R73 | E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.18Å; E65-A69 PolarHBondContact O-N 3.46Å; E66-A69 CarbonylContact O-C 3.55Å; E66-A69 PolarHBondContact O-N 2.89Å; E66-A69 VanDerWaalsContact O-N 3.14Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 2.97Å; A69-R73 VanDerWaalsContact C-NH2 3.32Å; A69-R73 WeakPolarHBondContact O-CG 3.25Å; A69-R73 PolarHBondContact O-N 2.94Å; A69-R73 VanDerWaalsContact O-N 3.17Å; A69-R73 PolarHBondContact O-NE 3.11Å |
| 70 | Q | 84.7 | Confident | 87.5 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 29% | 0.285 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62 | -51.9 | 170.1 | -71.7 | 178.7 | 9.2 | 0 | 0 | 110.2 | E66 L67 R72 R73 E74 | E66-Q70 HydrophobicContact CG-CG 4.45Å; E66-Q70 WeakPolarHBondContact O-CG 3.46Å; E66-Q70 PolarHBondContact O-N 3.11Å; E66-Q70 PolarHBondContact OE1-NE2 2.77Å; L67-Q70 PolarHBondContact O-N 2.86Å; Q70-R72 PolarHBondContact O-N 2.81Å; Q70-R73 WeakPolarHBondContact O-CB 3.29Å; Q70-R73 PolarHBondContact O-N 3.14Å; Q70-E74 PolarHBondContact O-N 3.19Å |
| 71 | K | 86.3 | Confident | 88.6 | Confident | 135 Ų | 135 | 88.7 Ų | 88.7 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -55.9 | -45.9 | 177.2 | -169.7 | 171.8 | -177.4 | 175.3 | 0 | 112.9 | L67 Q68 R73 E74 D75 | L67-K71 PolarHBondContact O-N 3.33Å; Q68-K71 PolarHBondContact O-N 3.08Å; K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 3.31Å; K71-E74 PolarHBondContact O-N 3.42Å; K71-D75 WeakPolarHBondContact O-CB 3.31Å; K71-D75 PolarHBondContact O-N 3.45Å |
| 72 | R | 89.7 | Confident | 89.5 | Confident | 122 Ų | 122 | 92.7 Ų | 92.7 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 174.5 | -73.2 | -172.5 | -62.1 | -97.1 | 7.1 | 112.8 | Q68 Q70 E76 | Q68-R72 WeakPolarHBondContact O-CG 3.45Å; Q68-R72 PolarHBondContact O-N 3.34Å; Q70-R72 PolarHBondContact O-N 2.81Å; R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 WeakPolarHBondContact O-CG 3.26Å; R72-E76 PolarHBondContact O-N 2.84Å |
| 73 | R | 92.6 | Very high | 90.3 | Very high | 131 Ų | 131 | 91.2 Ų | 91.2 | 49% | 0.494 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 177.2 | -73.7 | 172.9 | -71.4 | -147.3 | 2.4 | 112.1 | A69 Q70 K71 D77 | A69-R73 VanDerWaalsContact C-NH2 3.32Å; A69-R73 WeakPolarHBondContact O-CG 3.25Å; A69-R73 PolarHBondContact O-N 2.94Å; A69-R73 VanDerWaalsContact O-N 3.17Å; A69-R73 PolarHBondContact O-NE 3.11Å; Q70-R73 WeakPolarHBondContact O-CB 3.29Å; Q70-R73 PolarHBondContact O-N 3.14Å; K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 3.31Å; R73-D77 WeakPolarHBondContact O-CB 3.26Å; R73-D77 PolarHBondContact O-N 3Å |
| 74 | E | 91.9 | Very high | 91.3 | Very high | 105 Ų | 105 | 92.6 Ų | 92.6 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 173.3 | -70.4 | 176 | -178.4 | 0 | 0 | 111.4 | Q70 K71 E76 D77 N78 | Q70-E74 PolarHBondContact O-N 3.19Å; K71-E74 PolarHBondContact O-N 3.42Å; E74-E76 PolarHBondContact O-N 3.42Å; E74-D77 PolarHBondContact O-N 3.22Å; E74-N78 VanDerWaalsContact O-CB 3.26Å; E74-N78 WeakPolarHBondContact O-CB 3.24Å; E74-N78 PolarHBondContact O-N 3.45Å; E74-N78 PolarHBondContact O-ND2 3.34Å; E74-N78 VanDerWaalsContact O-ND2 3.08Å |
| 75 | D | 93.8 | Very high | 92.1 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.3 | -71 | -33 | 0 | 0 | 0 | 111.7 | K71 L79 | K71-D75 WeakPolarHBondContact O-CB 3.31Å; K71-D75 PolarHBondContact O-N 3.45Å; D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 PolarHBondContact O-N 3.41Å |
| 76 | E | 94.9 | Very high | 92.7 | Very high | 107 Ų | 107 | 90.7 Ų | 90.7 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.1 | -83.2 | -174.5 | -148 | 0 | 0 | 113 | R72 E74 L79 K80 | R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 WeakPolarHBondContact O-CG 3.26Å; R72-E76 PolarHBondContact O-N 2.84Å; E74-E76 PolarHBondContact O-N 3.42Å; E76-L79 PolarHBondContact O-N 2.94Å; E76-K80 WeakPolarHBondContact O-CE 3.11Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.44Å; E76-K80 PolarHBondContact O-N 3.01Å; E76-K80 IonicContact OE2-NZ 2.89Å; E76-K80 PolarHBondContact OE2-NZ 3.49Å; E76-K80 VanDerWaalsContact OE2-NZ 3.09Å |
| 77 | D | 95.6 | Very high | 93.2 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 35% | 0.348 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.6 | -32.5 | -178.6 | -85.3 | 10.5 | 0 | 0 | 0 | 112.3 | R73 E74 K80 R81 | R73-D77 WeakPolarHBondContact O-CB 3.26Å; R73-D77 PolarHBondContact O-N 3Å; E74-D77 PolarHBondContact O-N 3.22Å; D77-K80 PolarHBondContact O-N 3.33Å; D77-K80 WeakPolarHBondContact OD1-CD 3.33Å; D77-K80 IonicContact OD1-NZ 2.93Å; D77-K80 PolarHBondContact OD1-NZ 2.96Å; D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 WeakPolarHBondContact O-CD 3.38Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 2.92Å; D77-R81 PolarHBondContact O-NE 3.16Å; D77-R81 IonicContact OD2-NH2 2.7Å |
| 78 | N | 96.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 169.8 | -72.8 | -30.8 | 0 | 0 | 0 | 110.6 | E74 R81 F82 | E74-N78 VanDerWaalsContact O-CB 3.26Å; E74-N78 WeakPolarHBondContact O-CB 3.24Å; E74-N78 PolarHBondContact O-N 3.45Å; E74-N78 PolarHBondContact O-ND2 3.34Å; E74-N78 VanDerWaalsContact O-ND2 3.08Å; N78-R81 PolarHBondContact O-N 3.24Å; N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 3.01Å |
| 79 | L | 97.3 | Very high | 94.4 | Very high | 96 Ų | 96 | 100 Ų | 100 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 173 | 179.3 | 60.4 | 0 | 0 | 0 | 112 | D75 E76 F82 Q83 | D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 PolarHBondContact O-N 3.41Å; E76-L79 PolarHBondContact O-N 2.94Å; L79-F82 PolarHBondContact O-N 2.96Å; L79-Q83 HydrophobicContact CD1-CG 4.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.41Å; L79-Q83 VanDerWaalsContact O-CG 3.28Å; L79-Q83 WeakPolarHBondContact O-CG 3.47Å; L79-Q83 PolarHBondContact O-N 2.91Å |
| 80 | K | 97 | Very high | 94.8 | Very high | 88 Ų | 88 | 103.3 Ų | 103.3 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 174.2 | -69.3 | 160 | -147.5 | 159.2 | 0 | 110.8 | E76 D77 F82 Q83 D84 | E76-K80 WeakPolarHBondContact O-CE 3.11Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.44Å; E76-K80 PolarHBondContact O-N 3.01Å; E76-K80 IonicContact OE2-NZ 2.89Å; E76-K80 PolarHBondContact OE2-NZ 3.49Å; E76-K80 VanDerWaalsContact OE2-NZ 3.09Å; D77-K80 PolarHBondContact O-N 3.33Å; D77-K80 WeakPolarHBondContact OD1-CD 3.33Å; D77-K80 IonicContact OD1-NZ 2.93Å; D77-K80 PolarHBondContact OD1-NZ 2.96Å; K80-F82 PolarHBondContact O-N 3.34Å; K80-Q83 PolarHBondContact O-N 3.37Å; K80-D84 PolarHBondContact O-N 3.44Å |
| 81 | R | 96 | Very high | 95.3 | Very high | 158 Ų | 158 | 104 Ų | 104 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.8 | -45.1 | 176.9 | -70.6 | 165.5 | -144.9 | -119.6 | 3 | 112.3 | D77 N78 D84 E85 | D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 WeakPolarHBondContact O-CD 3.38Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 2.92Å; D77-R81 PolarHBondContact O-NE 3.16Å; D77-R81 IonicContact OD2-NH2 2.7Å; N78-R81 PolarHBondContact O-N 3.24Å; R81-D84 PolarHBondContact O-N 3.13Å; R81-E85 WeakPolarHBondContact O-CB 3.46Å; R81-E85 PolarHBondContact O-N 3.15Å |
| 82 | F | 97.9 | Very high | 95.6 | Very high | 136 Ų | 136 | 103.7 Ų | 103.7 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 176.9 | 175.5 | -99.5 | 0 | 0 | 0 | 111.6 | N78 L79 K80 D84 E85 V86 | N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 3.01Å; L79-F82 PolarHBondContact O-N 2.96Å; K80-F82 PolarHBondContact O-N 3.34Å; F82-D84 PolarHBondContact O-N 3.02Å; F82-E85 PolarHBondContact O-N 2.72Å; F82-V86 HydrophobicContact CD1-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.9Å; F82-V86 HydrophobicContact CE2-CG2 4.13Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 WeakPolarHBondContact O-CG2 3.5Å; F82-V86 PolarHBondContact O-N 2.89Å |
| 83 | Q | 97.1 | Very high | 95.8 | Very high | 81 Ų | 81 | 104 Ų | 104 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.3 | -71.8 | -179.5 | 26.1 | 0 | 0 | 112.5 | L79 K80 E85 V86 R87 | L79-Q83 HydrophobicContact CD1-CG 4.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.41Å; L79-Q83 VanDerWaalsContact O-CG 3.28Å; L79-Q83 WeakPolarHBondContact O-CG 3.47Å; L79-Q83 PolarHBondContact O-N 2.91Å; K80-Q83 PolarHBondContact O-N 3.37Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; Q83-V86 PolarHBondContact O-N 3.32Å; Q83-R87 WeakPolarHBondContact O-CB 3.41Å; Q83-R87 VanDerWaalsContact O-CG 3.28Å; Q83-R87 WeakPolarHBondContact O-CG 3.25Å; Q83-R87 PolarHBondContact O-N 3.31Å; Q83-R87 VanDerWaalsContact OE1-NH1 3.11Å |
| 84 | D | 97 | Very high | 95.7 | Very high | 67 Ų | 67 | 100.6 Ų | 100.6 | 36% | 0.358 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 175.6 | -77.1 | -34.3 | 0 | 0 | 0 | 112.4 | K80 R81 F82 R87 R88 | K80-D84 PolarHBondContact O-N 3.44Å; R81-D84 PolarHBondContact O-N 3.13Å; F82-D84 PolarHBondContact O-N 3.02Å; D84-R87 PolarHBondContact O-N 3.05Å; D84-R87 IonicContact OD1-CZ 3.32Å; D84-R87 IonicContact OD1-NE 3.18Å; D84-R87 PolarHBondContact OD1-NE 3.34Å; D84-R87 IonicContact OD1-NH2 2.8Å; D84-R87 PolarHBondContact OD1-NH2 3.5Å; D84-R87 IonicContact OD2-NH2 2.75Å; D84-R88 WeakPolarHBondContact O-CB 3.43Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 3.03Å |
| 85 | E | 97.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 101.6 Ų | 101.6 | 28% | 0.28 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 174.1 | -178 | 57.7 | -165.2 | 0 | 0 | 112.1 | R81 F82 Q83 R88 R89 | R81-E85 WeakPolarHBondContact O-CB 3.46Å; R81-E85 PolarHBondContact O-N 3.15Å; F82-E85 PolarHBondContact O-N 2.72Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; E85-R88 PolarHBondContact O-N 3.07Å; E85-R88 IonicContact OE2-CZ 2.75Å; E85-R88 VanDerWaalsContact OE2-CZ 3.23Å; E85-R88 IonicContact OE2-NE 3.85Å; E85-R88 PolarHBondContact OE2-NE 3.45Å; E85-R88 IonicContact OE2-NH2 3.99Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å; E85-R89 WeakPolarHBondContact O-CG 3.49Å; E85-R89 PolarHBondContact O-N 3.44Å; E85-R89 IonicContact OE1-CZ 2.71Å; E85-R89 IonicContact OE1-NE 3.04Å; E85-R89 PolarHBondContact OE1-NE 2.98Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 2.93Å |
| 86 | V | 97.7 | Very high | 95.5 | Very high | 63 Ų | 63 | 99 Ų | 99 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 171.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | F82 Q83 R88 R89 V90 | F82-V86 HydrophobicContact CD1-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.9Å; F82-V86 HydrophobicContact CE2-CG2 4.13Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 WeakPolarHBondContact O-CG2 3.5Å; F82-V86 PolarHBondContact O-N 2.89Å; Q83-V86 PolarHBondContact O-N 3.32Å; V86-R88 PolarHBondContact O-N 2.93Å; V86-R89 PolarHBondContact O-N 3.41Å; V86-V90 HydrophobicContact CG1-CG2 4.46Å; V86-V90 WeakPolarHBondContact O-CG2 3.5Å; V86-V90 PolarHBondContact O-N 3.28Å |
| 87 | R | 97.1 | Very high | 95.1 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 173.9 | -77.8 | -177.2 | -80.5 | -96.1 | 7.7 | 111.3 | Q83 D84 V90 T91 | Q83-R87 WeakPolarHBondContact O-CB 3.41Å; Q83-R87 VanDerWaalsContact O-CG 3.28Å; Q83-R87 WeakPolarHBondContact O-CG 3.25Å; Q83-R87 PolarHBondContact O-N 3.31Å; Q83-R87 VanDerWaalsContact OE1-NH1 3.11Å; D84-R87 PolarHBondContact O-N 3.05Å; D84-R87 IonicContact OD1-CZ 3.32Å; D84-R87 IonicContact OD1-NE 3.18Å; D84-R87 PolarHBondContact OD1-NE 3.34Å; D84-R87 IonicContact OD1-NH2 2.8Å; D84-R87 PolarHBondContact OD1-NH2 3.5Å; D84-R87 IonicContact OD2-NH2 2.75Å; R87-V90 PolarHBondContact O-N 2.96Å; R87-T91 WeakPolarHBondContact O-CG2 3.34Å; R87-T91 PolarHBondContact O-N 3.16Å; R87-T91 PolarHBondContact O-OG1 3.47Å |
| 88 | R | 96.3 | Very high | 94.7 | Very high | 140 Ų | 140 | 99.5 Ų | 99.5 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 176.8 | -78.3 | -171.7 | -66.4 | -102.2 | 4.1 | 112.7 | D84 E85 V86 T91 H92 | D84-R88 WeakPolarHBondContact O-CB 3.43Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 3.03Å; E85-R88 PolarHBondContact O-N 3.07Å; E85-R88 IonicContact OE2-CZ 2.75Å; E85-R88 VanDerWaalsContact OE2-CZ 3.23Å; E85-R88 IonicContact OE2-NE 3.85Å; E85-R88 PolarHBondContact OE2-NE 3.45Å; E85-R88 IonicContact OE2-NH2 3.99Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å; V86-R88 PolarHBondContact O-N 2.93Å; R88-T91 PolarHBondContact O-OG1 3.03Å; R88-T91 VanDerWaalsContact O-OG1 3.1Å; R88-H92 VanDerWaalsContact O-CB 3.23Å; R88-H92 WeakPolarHBondContact O-CB 3.36Å; R88-H92 PolarHBondContact O-N 3.5Å |
| 89 | R | 96.8 | Very high | 94 | Very high | 163 Ų | 163 | 104.8 Ų | 104.8 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 179.3 | -71.2 | 174.9 | -169.6 | -151.9 | 0.1 | 111.9 | E85 V86 H92 Q93 | E85-R89 WeakPolarHBondContact O-CG 3.49Å; E85-R89 PolarHBondContact O-N 3.44Å; E85-R89 IonicContact OE1-CZ 2.71Å; E85-R89 IonicContact OE1-NE 3.04Å; E85-R89 PolarHBondContact OE1-NE 2.98Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 2.93Å; V86-R89 PolarHBondContact O-N 3.41Å; R89-H92 PolarHBondContact O-N 3Å; R89-Q93 WeakPolarHBondContact O-CB 3.35Å; R89-Q93 PolarHBondContact O-N 3.49Å |
| 90 | V | 96.7 | Very high | 93.1 | Very high | 89 Ų | 89 | 105.5 Ų | 105.5 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | V86 R87 A94 | V86-V90 HydrophobicContact CG1-CG2 4.46Å; V86-V90 WeakPolarHBondContact O-CG2 3.5Å; V86-V90 PolarHBondContact O-N 3.28Å; R87-V90 PolarHBondContact O-N 2.96Å; V90-A94 WeakPolarHBondContact O-CB 3.08Å; V90-A94 PolarHBondContact O-N 3.18Å |
| 91 | T | 94.9 | Very high | 92 | Very high | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | R87 R88 A94 H95 | R87-T91 WeakPolarHBondContact O-CG2 3.34Å; R87-T91 PolarHBondContact O-N 3.16Å; R87-T91 PolarHBondContact O-OG1 3.47Å; R88-T91 PolarHBondContact O-OG1 3.03Å; R88-T91 VanDerWaalsContact O-OG1 3.1Å; T91-A94 PolarHBondContact O-N 3.46Å; T91-H95 PolarHBondContact O-CD2 3.48Å; T91-H95 PolarHBondContact O-N 3.23Å |
| 92 | H | 93.5 | Very high | 90.3 | Very high | 128 Ų | 128 | 107.1 Ų | 107.1 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -49.3 | 175.2 | -177.3 | 87.4 | 0 | 0 | 0 | 111.8 | R88 R89 A94 H95 V96 | R88-H92 VanDerWaalsContact O-CB 3.23Å; R88-H92 WeakPolarHBondContact O-CB 3.36Å; R88-H92 PolarHBondContact O-N 3.5Å; R89-H92 PolarHBondContact O-N 3Å; H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.07Å; H92-H95 WeakPolarHBondContact O-CB 3.46Å; H92-H95 PolarHBondContact O-N 2.84Å; H92-H95 VanDerWaalsContact O-N 3.14Å; H92-V96 WeakPolarHBondContact O-CG2 3.33Å; H92-V96 PolarHBondContact O-N 3.35Å |
| 93 | Q | 93.4 | Very high | 88.3 | Confident | 127 Ų | 127 | 106.2 Ų | 106.2 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 177.4 | -168.8 | 177.4 | 16.3 | 0 | 0 | 111.6 | R89 H95 V96 C97 | R89-Q93 WeakPolarHBondContact O-CB 3.35Å; R89-Q93 PolarHBondContact O-N 3.49Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 2.99Å; Q93-V96 PolarHBondContact O-N 2.9Å; Q93-C97 PolarHBondContact O-N 3.49Å; Q93-C97 PolarHBondContact O-SG 3.05Å; Q93-C97 VanDerWaalsContact O-SG 3.4Å |
| 94 | A | 91.6 | Very high | 86 | Confident | 60 Ų | 60 | 110.5 Ų | 110.5 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 T91 H92 K98 | V90-A94 WeakPolarHBondContact O-CB 3.08Å; V90-A94 PolarHBondContact O-N 3.18Å; T91-A94 PolarHBondContact O-N 3.46Å; H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.07Å; A94-K98 WeakPolarHBondContact O-CB 3.42Å; A94-K98 PolarHBondContact O-N 3.02Å |
| 95 | H | 89.6 | Confident | 83.7 | Confident | 126 Ų | 126 | 112.6 Ų | 112.6 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 173.7 | -77.3 | -64.8 | 0 | 0 | 0 | 112.5 | T91 H92 Q93 K98 R99 | T91-H95 PolarHBondContact O-CD2 3.48Å; T91-H95 PolarHBondContact O-N 3.23Å; H92-H95 WeakPolarHBondContact O-CB 3.46Å; H92-H95 PolarHBondContact O-N 2.84Å; H92-H95 VanDerWaalsContact O-N 3.14Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 2.99Å; H95-K98 PolarHBondContact O-N 3.13Å; H95-R99 WeakPolarHBondContact O-CG 3.5Å; H95-R99 PolarHBondContact O-N 3.33Å |
| 96 | V | 90.6 | Very high | 81.2 | Confident | 40 Ų | 40 | 116.9 Ų | 116.9 | 24% | 0.242 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -63.4 | -49.7 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.8 | H92 Q93 K98 R99 R100 | H92-V96 WeakPolarHBondContact O-CG2 3.33Å; H92-V96 PolarHBondContact O-N 3.35Å; Q93-V96 PolarHBondContact O-N 2.9Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.06Å; V96-R99 PolarHBondContact O-N 2.87Å; V96-R100 PolarHBondContact O-N 3Å |
| 97 | C | 87.6 | Confident | 79.1 | Confident | 38 Ų | 38 | 119.8 Ų | 119.8 | 26% | 0.257 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.1 | -43.1 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | Q93 R99 R100 Q101 | Q93-C97 PolarHBondContact O-N 3.49Å; Q93-C97 PolarHBondContact O-SG 3.05Å; Q93-C97 VanDerWaalsContact O-SG 3.4Å; C97-R99 PolarHBondContact O-N 2.82Å; C97-R100 PolarHBondContact O-N 2.93Å; C97-Q101 WeakPolarHBondContact O-CB 3.41Å; C97-Q101 VanDerWaalsContact O-CG 3.28Å; C97-Q101 WeakPolarHBondContact O-CG 3.17Å; C97-Q101 PolarHBondContact O-N 2.73Å; C97-Q101 VanDerWaalsContact O-N 3.07Å |
| 98 | K | 86.6 | Confident | 76.5 | Confident | 144 Ų | 144 | 122.2 Ų | 122.2 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 177 | -173.3 | 174.8 | -178.7 | 179.5 | 0 | 112.8 | A94 H95 V96 Q101 | A94-K98 WeakPolarHBondContact O-CB 3.42Å; A94-K98 PolarHBondContact O-N 3.02Å; H95-K98 PolarHBondContact O-N 3.13Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.06Å; K98-Q101 PolarHBondContact O-N 3.06Å |
| 99 | R | 81.4 | Confident | 74 | Confident | 199 Ų | 199 | 122.1 Ų | 122.1 | 75% | 0.751 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -42 | 174.2 | -75.8 | -170.3 | 71.5 | -161.2 | 0 | 112.1 | H95 V96 C97 Q101 Q102 | H95-R99 WeakPolarHBondContact O-CG 3.5Å; H95-R99 PolarHBondContact O-N 3.33Å; V96-R99 PolarHBondContact O-N 2.87Å; C97-R99 PolarHBondContact O-N 2.82Å; R99-Q101 PolarHBondContact O-N 3.49Å; R99-Q102 PolarHBondContact O-N 2.68Å |
| 100 | R | 79 | Confident | 71.5 | Confident | 111 Ų | 111 | 120.9 Ų | 120.9 | 42% | 0.419 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66 | -16.2 | 175.1 | -69.6 | -174.5 | -177.4 | -121.5 | -5.6 | 113.4 | V96 C97 H131 I132 H133 | V96-R100 PolarHBondContact O-N 3Å; C97-R100 PolarHBondContact O-N 2.93Å; R100-H131 PolarHBondContact NH2-CD2 3.43Å; R100-H131 PolarHBondContact NH2-NE2 2.71Å; R100-I132 PolarHBondContact NH1-O 2.89Å; R100-H133 WeakPolarHBondContact CD-CD2 3.39Å |
| 101 | Q | 72.9 | Confident | 69 | Low | 138 Ų | 138 | 122.2 Ų | 122.2 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 2.9 | 176.9 | -71 | 172.7 | 7.3 | 0 | 0 | 114.5 | C97 K98 R99 P103 | C97-Q101 WeakPolarHBondContact O-CB 3.41Å; C97-Q101 VanDerWaalsContact O-CG 3.28Å; C97-Q101 WeakPolarHBondContact O-CG 3.17Å; C97-Q101 PolarHBondContact O-N 2.73Å; C97-Q101 VanDerWaalsContact O-N 3.07Å; K98-Q101 PolarHBondContact O-N 3.06Å; R99-Q101 PolarHBondContact O-N 3.49Å; Q101-P103 WeakPolarHBondContact O-CD 3.39Å |
| 102 | Q | 61.7 | Low | 66.4 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -86.1 | 117.6 | 170.8 | -72.5 | -169.8 | -58.2 | 0 | 0 | 110.3 | R99 | R99-Q102 PolarHBondContact O-N 2.68Š|
| 103 | P | 54.9 | Low | 64 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | trans | -67.1 | 139.9 | 175 | 28.4 | -34.1 | 0 | 0 | 0 | 110.6 | Q101 S105 | Q101-P103 WeakPolarHBondContact O-CD 3.39Å; P103-S105 PolarHBondContact O-N 2.98Å | ||
| 104 | H | 49.3 | Very low | 61.4 | Low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -81 | 90.4 | -173.9 | -161.2 | 52 | 0 | 0 | 0 | 111 | H106 | H104-H106 PolarHBondContact O-N 3.11Š| ||
| 105 | S | 48 | Very low | 59.1 | Low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -78.1 | 77.4 | -173.7 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | P103 | P103-S105 PolarHBondContact O-N 2.98Š| ||
| 106 | H | 45.8 | Very low | 57.4 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | -125.9 | 130.2 | 164 | -84.4 | -73.2 | 0 | 0 | 0 | 110.8 | H104 | H104-H106 PolarHBondContact O-N 3.11Š| ||
| 107 | P | 53 | Low | 55.1 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -86.9 | 123.9 | -176.4 | 32.9 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 108 | L | 42.4 | Very low | 52.9 | Low | 172 Ų | 172 | 149.1 Ų | 149.1 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | trans | -135.2 | 145.7 | 166.8 | -85.5 | 173.1 | 0 | 0 | 0 | 111.3 | ||||
| 109 | V | 44 | Very low | 51 | Low | 138 Ų | 138 | 148.7 Ų | 148.7 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -89.3 | 140.6 | -169.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 110 | I | 43.8 | Very low | 49 | Very low | 136 Ų | 136 | 146 Ų | 146 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | trans | -93.6 | 134.4 | 178.4 | -57.5 | 170.5 | 0 | 0 | 0 | 110.7 | ||||
| 111 | P | 44 | Very low | 47 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -116.1 | 137.6 | 147.7 | 5.3 | 16.2 | 0 | 0 | 0 | 111.5 | ||||
| 112 | H | 41.9 | Very low | 45.4 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -86.4 | 147.9 | -179.2 | -61.7 | -95.8 | 0 | 0 | 0 | 113.6 | ||||
| 113 | R | 41.5 | Very low | 44.3 | Very low | 253 Ų | 253 | 148.8 Ų | 148.8 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | -178.5 | 141.5 | 125.8 | -103.3 | 170 | -170 | -122.1 | 1.7 | 114.1 | |||||
| 114 | G | 39.1 | Very low | 43.4 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 78.1 | 114.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 115 | L | 44 | Very low | 42.6 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -115.4 | 154.5 | 153.9 | -68.5 | 170.9 | 0 | 0 | 0 | 107.9 | ||||
| 116 | P | 53.4 | Low | 41.5 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | -151.2 | 134.2 | 94.8 | 36.2 | -17.1 | 0 | 0 | 0 | 117.8 | |||||
| 117 | H | 41.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | 41.7 | 105.4 | 127.8 | -174.3 | -65.5 | 0 | 0 | 0 | 121.5 | Q119 | H117-Q119 PolarHBondContact CE1-NE2 3.38Š| |||
| 118 | Y | 42.8 | Very low | 40.3 | Very low | 223 Ų | 223 | 153.8 Ų | 153.8 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | -174.8 | 174 | 119.4 | 58.5 | -100.3 | 0 | 0 | 0 | 110.3 | |||||
| 119 | Q | 45.5 | Very low | 39.8 | Very low | 134 Ų | 134 | 154 Ų | 154 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | -171 | 153.1 | -59 | -155.4 | -176.6 | 77.4 | 0 | 0 | 106.3 | H117 | H117-Q119 PolarHBondContact CE1-NE2 3.38Š| |||
| 120 | I | 40.7 | Very low | 39.1 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 142.8 | 173.8 | -51.6 | 157.7 | 0 | 0 | 0 | 113.3 | ||||
| 121 | L | 36.8 | Very low | 38.2 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | cis | -114.2 | -168 | -1.2 | -155.3 | 55.9 | 0 | 0 | 0 | 107.1 | ||||
| 122 | T | 38.2 | Very low | 37.8 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | cis | -152.2 | 169.3 | 6.5 | -43.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 123 | Q | 39.4 | Very low | 37.4 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -142 | 113.1 | 178.1 | 178.3 | -175.5 | 79.7 | 0 | 0 | 113.7 | ||||
| 124 | Q | 36 | Very low | 37 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | trans | -175.8 | 119.4 | 151.1 | -106.4 | 163.9 | -23.3 | 0 | 0 | 106.4 | ||||
| 125 | V | 31.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | 56.8 | 107.1 | 65 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 126 | C | 26.9 | Very low | 36.4 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | -166.2 | 140 | 70.9 | -144.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 127 | K | 42.4 | Very low | 35.3 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | 65.6 | 164 | 154.4 | -68.3 | 169.4 | -178.7 | -179.5 | 0 | 119.6 | ||||
| 128 | E | 30 | Very low | 34.9 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | 74.8 | 147.5 | 166.5 | -133.1 | 150.3 | -158.5 | 0 | 0 | 117.9 | ||||
| 129 | E | 31.9 | Very low | 34.7 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | 64.9 | 134.4 | 170.2 | -52.3 | -149 | 125.3 | 0 | 0 | 122.6 | ||||
| 130 | E | 29.1 | Very low | 34.2 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 62.1 | 117.9 | 139.7 | -69.1 | -68.2 | 96.8 | 0 | 0 | 124 | ||||
| 131 | H | 26.2 | Very low | 33.9 | Very low | 91 Ų | 91 | 139 Ų | 139 | 42% | 0.421 | 75% | 0.746 | S | S | . | * | trans | 59.1 | 83.7 | 137.2 | -87.7 | 114.3 | 0 | 0 | 0 | 122.7 | R100 | R100-H131 PolarHBondContact NH2-CD2 3.43Å; R100-H131 PolarHBondContact NH2-NE2 2.71Å | ||
| 132 | I | 34.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 64% | 0.641 | 75% | 0.746 | S | S | * | * | 1.8 | 146.6 | 124.9 | -28.4 | 174.5 | 0 | 0 | 0 | 118.4 | R100 | R100-I132 PolarHBondContact NH1-O 2.89Š| |||
| 133 | H | 33.5 | Very low | 33.7 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 37% | 0.37 | 74% | 0.741 | S | S | . | * | trans | 103.5 | 140.7 | 157.3 | -59.7 | -71 | 0 | 0 | 0 | 116.1 | R100 | R100-H133 WeakPolarHBondContact CD-CD2 3.39Š| ||
| 134 | S | 33.2 | Very low | 34.3 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | cis | -168.9 | 158 | -10.8 | -106.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 135 | E | 28.9 | Very low | 34.5 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | -149.9 | 163.4 | 154 | -99.7 | -70.8 | 83.9 | 0 | 0 | 106.7 | ||||
| 136 | P | 42.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | -118.2 | 155.9 | -134.6 | 23.2 | -1.7 | 0 | 0 | 0 | 115.4 | ||||
| 137 | A | 30 | Very low | 36.8 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -113.4 | 140.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 138 | A | 34 | Very low | 37.6 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -70.7 | 159.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q140 | A138-Q140 PolarHBondContact O-N 3.37Š| ||
| 139 | Q | 38.1 | Very low | 39 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -58.5 | 125 | 172.5 | -58.3 | 157.5 | -18.9 | 0 | 0 | 111.1 | ||||
| 140 | Q | 35 | Very low | 40.7 | Very low | 193 Ų | 193 | 119.6 Ų | 119.6 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -142.8 | 130 | 142.2 | -72.1 | -158.7 | 7 | 0 | 0 | 110.1 | A138 | A138-Q140 PolarHBondContact O-N 3.37Š| ||
| 141 | S | 34.4 | Very low | 42.5 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -117.6 | 129.5 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 142 | P | 34.2 | Very low | 44.7 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | trans | -89.3 | 103.7 | 145.1 | 0 | 19.9 | 0 | 0 | 0 | 106.6 | ||||
| 143 | S | 36.3 | Very low | 46.5 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | 72.5 | 130.8 | 73.1 | -163 | 0 | 0 | 0 | 0 | 113 | E145 | S143-E145 PolarHBondContact O-N 3.3Š| |||
| 144 | P | 51.5 | Low | 48.3 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | trans | -105.8 | 42 | -143.2 | 41.1 | -36.2 | 0 | 0 | 0 | 116.3 | S147 | P144-S147 PolarHBondContact O-OG 2.88Š| ||
| 145 | E | 41.5 | Very low | 50 | Low | 156 Ų | 156 | 128.3 Ų | 128.3 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -43.3 | -166.7 | -66.3 | -95.2 | 90.1 | 0 | 0 | 114.7 | S143 S147 | S143-E145 PolarHBondContact O-N 3.3Å; E145-S147 PolarHBondContact O-N 3.36Å; E145-S147 VanDerWaalsContact O-N 3.17Å |
| 146 | L | 46.9 | Very low | 51.9 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 6.1 | -171.1 | -149.7 | 70.7 | 0 | 0 | 0 | 115 | ||
| 147 | S | 58.3 | Low | 52.9 | Low | 58 Ų | 58 | 129.1 Ų | 129.1 | 41% | 0.406 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -77.9 | -31 | -173.6 | 63.3 | 0 | 0 | 0 | 0 | 114.3 | P144 E145 R151 | P144-S147 PolarHBondContact O-OG 2.88Å; E145-S147 PolarHBondContact O-N 3.36Å; E145-S147 VanDerWaalsContact O-N 3.17Å; S147-R151 WeakPolarHBondContact O-CB 3.36Å; S147-R151 PolarHBondContact O-N 3.4Å |
| 148 | K | 58.8 | Low | 54.2 | Low | 147 Ų | 147 | 127.5 Ų | 127.5 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.6 | -55.4 | -173.7 | -64.3 | 170.5 | -175.1 | 165.2 | 0 | 113.6 | L150 R151 Q152 | K148-L150 VanDerWaalsContact C-N 3.35Å; K148-L150 PolarHBondContact O-N 2.86Å; K148-R151 PolarHBondContact O-N 3.33Å; K148-Q152 PolarHBondContact O-N 3.43Å |
| 149 | P | 60.4 | Low | 55 | Low | 71 Ų | 71 | 126.1 Ų | 126.1 | 46% | 0.461 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.9 | -39.5 | -179.4 | 24.2 | -34 | 0 | 0 | 0 | 112.3 | R151 Q152 V153 | P149-R151 PolarHBondContact O-N 2.89Å; P149-Q152 PolarHBondContact O-N 2.97Å; P149-Q152 VanDerWaalsContact O-N 3.15Å; P149-V153 WeakPolarHBondContact O-CG2 3.41Å; P149-V153 PolarHBondContact O-N 3.35Å |
| 150 | L | 66.4 | Low | 55.7 | Low | 107 Ų | 107 | 122 Ų | 122 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 179.1 | -66.1 | 175.5 | 0 | 0 | 0 | 112.7 | K148 R154 | K148-L150 VanDerWaalsContact C-N 3.35Å; K148-L150 PolarHBondContact O-N 2.86Å; L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 3.01Å; L150-R154 VanDerWaalsContact O-N 3.14Å |
| 151 | R | 67.6 | Low | 56.5 | Low | 189 Ų | 189 | 123 Ų | 123 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 168.7 | -99 | -176.9 | 162.8 | 177.9 | -5.1 | 111.7 | S147 K148 P149 R154 L155 | S147-R151 WeakPolarHBondContact O-CB 3.36Å; S147-R151 PolarHBondContact O-N 3.4Å; K148-R151 PolarHBondContact O-N 3.33Å; P149-R151 PolarHBondContact O-N 2.89Å; R151-R154 PolarHBondContact O-N 3.21Å; R151-L155 PolarHBondContact O-N 3.22Å |
| 152 | Q | 72.4 | Confident | 57.2 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 59% | 0.593 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -32.7 | -176.9 | -163.6 | 148.3 | 12.3 | 0 | 0 | 113 | K148 P149 L155 R156 | K148-Q152 PolarHBondContact O-N 3.43Å; P149-Q152 PolarHBondContact O-N 2.97Å; P149-Q152 VanDerWaalsContact O-N 3.15Å; Q152-L155 PolarHBondContact O-N 2.97Å; Q152-R156 WeakPolarHBondContact O-CB 3.44Å; Q152-R156 PolarHBondContact O-N 3.33Å |
| 153 | V | 72.2 | Confident | 57.4 | Low | 79 Ų | 79 | 125 Ų | 125 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.1 | -45.7 | 168.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | P149 L155 R156 L157 | P149-V153 WeakPolarHBondContact O-CG2 3.41Å; P149-V153 PolarHBondContact O-N 3.35Å; V153-L155 VanDerWaalsContact C-N 3.34Å; V153-L155 PolarHBondContact O-N 2.75Å; V153-R156 PolarHBondContact O-N 3.12Å; V153-L157 HydrophobicContact CG1-CD1 3.84Å; V153-L157 HydrophobicContact CG1-CG 4.37Å; V153-L157 WeakPolarHBondContact O-CB 3.25Å; V153-L157 WeakPolarHBondContact O-CG 3.46Å; V153-L157 PolarHBondContact O-N 3.33Å |
| 154 | R | 72.5 | Confident | 57.3 | Low | 197 Ų | 197 | 129.8 Ų | 129.8 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | 175.8 | -73.5 | -178.9 | -177.5 | -177.1 | 2.1 | 112.8 | L150 R151 L157 A158 | L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 3.01Å; L150-R154 VanDerWaalsContact O-N 3.14Å; R151-R154 PolarHBondContact O-N 3.21Å; R154-L157 PolarHBondContact O-N 3.31Å; R154-A158 WeakPolarHBondContact O-CB 3.38Å; R154-A158 PolarHBondContact O-N 3.35Å |
| 155 | L | 68.4 | Low | 56.4 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.8 | -39.9 | 175.2 | -80.9 | 157.8 | 0 | 0 | 0 | 112.4 | R151 Q152 V153 A158 A159 | R151-L155 PolarHBondContact O-N 3.22Å; Q152-L155 PolarHBondContact O-N 2.97Å; V153-L155 VanDerWaalsContact C-N 3.34Å; V153-L155 PolarHBondContact O-N 2.75Å; L155-A158 PolarHBondContact O-N 2.92Å; L155-A159 WeakPolarHBondContact O-CB 3.24Å; L155-A159 PolarHBondContact O-N 2.9Å |
| 156 | R | 68.6 | Low | 56.3 | Low | 183 Ų | 183 | 130.1 Ų | 130.1 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.5 | -44.7 | 171.7 | -82.2 | -177.2 | 163.2 | 179.8 | -5.3 | 112.1 | Q152 V153 A158 A159 C160 | Q152-R156 WeakPolarHBondContact O-CB 3.44Å; Q152-R156 PolarHBondContact O-N 3.33Å; V153-R156 PolarHBondContact O-N 3.12Å; R156-A158 VanDerWaalsContact C-N 3.25Å; R156-A158 PolarHBondContact O-N 3.32Å; R156-A159 PolarHBondContact O-N 3.3Å; R156-A159 VanDerWaalsContact O-N 3.12Å; R156-C160 PolarHBondContact O-N 2.91Å; R156-C160 PolarHBondContact O-SG 3.06Å |
| 157 | L | 63 | Low | 56.5 | Low | 117 Ų | 117 | 132.1 Ų | 132.1 | 61% | 0.613 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.3 | -26.2 | 176.8 | -70.8 | 170.6 | 0 | 0 | 0 | 113.4 | V153 R154 | V153-L157 HydrophobicContact CG1-CD1 3.84Å; V153-L157 HydrophobicContact CG1-CG 4.37Å; V153-L157 WeakPolarHBondContact O-CB 3.25Å; V153-L157 WeakPolarHBondContact O-CG 3.46Å; V153-L157 PolarHBondContact O-N 3.33Å; R154-L157 PolarHBondContact O-N 3.31Å |
| 158 | A | 56.8 | Low | 55.4 | Low | 65 Ų | 65 | 136.1 Ų | 136.1 | 54% | 0.537 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -76.4 | -37.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R154 L155 R156 | R154-A158 WeakPolarHBondContact O-CB 3.38Å; R154-A158 PolarHBondContact O-N 3.35Å; L155-A158 PolarHBondContact O-N 2.92Å; R156-A158 VanDerWaalsContact C-N 3.25Å; R156-A158 PolarHBondContact O-N 3.32Å |
| 159 | A | 51 | Low | 54.5 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69.8 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L155 R156 R161 | L155-A159 WeakPolarHBondContact O-CB 3.24Å; L155-A159 PolarHBondContact O-N 2.9Å; R156-A159 PolarHBondContact O-N 3.3Å; R156-A159 VanDerWaalsContact O-N 3.12Å; A159-R161 PolarHBondContact O-N 3.31Å |
| 160 | C | 53.2 | Low | 53.5 | Low | 105 Ų | 105 | 138.6 Ų | 138.6 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 26.9 | 178.7 | -59.4 | 0 | 0 | 0 | 0 | 114.5 | R156 | R156-C160 PolarHBondContact O-N 2.91Å; R156-C160 PolarHBondContact O-SG 3.06Å |
| 161 | R | 52.2 | Low | 52.6 | Low | 215 Ų | 215 | 140.5 Ų | 140.5 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 2.8 | 174.6 | -80 | -169.5 | 164.2 | -147.2 | -6.6 | 114 | A159 | A159-R161 PolarHBondContact O-N 3.31Š|
| 162 | L | 49.9 | Very low | 51.5 | Low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -130.8 | 129.9 | 175.8 | -66.4 | 172.7 | 0 | 0 | 0 | 109.2 | ||
| 163 | T | 38.1 | Very low | 50.1 | Low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 64.3 | 140.7 | -167.7 | 75.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 164 | Q | 33.8 | Very low | 48.5 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | cis | -118.8 | 161.1 | -1.1 | -69.5 | 175.6 | -36.8 | 0 | 0 | 111.2 | ||||
| 165 | G | 33.2 | Very low | 46.9 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -163.6 | 26.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 166 | E | 39.5 | Very low | 45.4 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -131.6 | 120.1 | -177.5 | -165.3 | 160.1 | -130 | 0 | 0 | 108.8 | ||||
| 167 | E | 49.4 | Very low | 44 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 48.2 | 106.9 | 162.7 | -57.2 | -170.9 | 160.8 | 0 | 0 | 121.1 | ||||
| 168 | V | 35.7 | Very low | 42.9 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | -142 | 117.3 | 115 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 169 | L | 40.8 | Very low | 41.8 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | 10.5 | 133.6 | 153.9 | -60.4 | 167.2 | 0 | 0 | 0 | 121.7 | ||||
| 170 | S | 39.5 | Very low | 41 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -156 | 134.3 | 135 | -76.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 171 | D | 47.7 | Very low | 40.4 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -77.1 | 134.9 | -167.5 | -53.4 | -94.1 | 0 | 0 | 0 | 115.2 | ||||
| 172 | L | 44 | Very low | 39.6 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -151.8 | 147.4 | 140.1 | -82.6 | -167.6 | 0 | 0 | 0 | 110.4 | G174 | L172-G174 PolarHBondContact O-N 3.49Š| ||
| 173 | P | 42.9 | Very low | 38.9 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -82.7 | 115 | -170.6 | 31.5 | -34.3 | 0 | 0 | 0 | 113.2 | ||||
| 174 | G | 39 | Very low | 38.7 | Very low | 74 Ų | 74 | 149 Ų | 149 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -160.9 | 64.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L172 R176 | L172-G174 PolarHBondContact O-N 3.49Å; G174-R176 PolarHBondContact O-N 3.35Å | ||
| 175 | G | 38.1 | Very low | 39.1 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -56.9 | 124.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W177 | G175-W177 PolarHBondContact O-N 2.86Š| ||
| 176 | R | 38 | Very low | 38.9 | Very low | 240 Ų | 240 | 146.9 Ų | 146.9 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 115.1 | 171.5 | -170.7 | 179.5 | -164.6 | -106.5 | 5.7 | 109.4 | G174 S178 | G174-R176 PolarHBondContact O-N 3.35Å; R176-S178 PolarHBondContact O-N 3.36Å | ||
| 177 | W | 37.5 | Very low | 38.5 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -67.2 | 99.1 | -178.7 | -74.2 | 70.7 | 0 | 0 | 0 | 111.4 | G175 I179 | G175-W177 PolarHBondContact O-N 2.86Å; W177-I179 PolarHBondContact O-N 2.91Å | ||
| 178 | S | 39.9 | Very low | 37.9 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -83.4 | 105.7 | 173.5 | 45.1 | 0 | 0 | 0 | 0 | 110.8 | R176 S180 | R176-S178 PolarHBondContact O-N 3.36Å; S178-S180 PolarHBondContact O-N 2.92Å | ||
| 179 | I | 35.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 120.9 | 171.8 | -58.3 | 175.3 | 0 | 0 | 0 | 108.3 | W177 | W177-I179 PolarHBondContact O-N 2.91Š| ||
| 180 | S | 34.4 | Very low | 37.3 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 62% | 0.622 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 145.1 | -177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | S178 T182 | S178-S180 PolarHBondContact O-N 2.92Å; S180-T182 PolarHBondContact O-N 3.1Å | ||
| 181 | P | 40.4 | Very low | 36.8 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -72.7 | 91.1 | 171.8 | -14 | 29.6 | 0 | 0 | 0 | 111 | R183 | P181-R183 PolarHBondContact O-N 3.38Š| ||
| 182 | T | 34.2 | Very low | 36 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | trans | -65.8 | 117.7 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 111 | S180 H184 | S180-T182 PolarHBondContact O-N 3.1Å; T182-H184 WeakPolarHBondContact CG2-NE2 3.36Å; T182-H184 PolarHBondContact O-N 2.98Å | ||
| 183 | R | 35.9 | Very low | 35.3 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -68.7 | 111 | 170.7 | -76.2 | -175.6 | 169.8 | -154.2 | -1.1 | 110.2 | P181 | P181-R183 PolarHBondContact O-N 3.38Š| ||
| 184 | H | 33.1 | Very low | 34.9 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -116.3 | 119.6 | 158.5 | -76.2 | -71.6 | 0 | 0 | 0 | 110.4 | T182 A186 | T182-H184 WeakPolarHBondContact CG2-NE2 3.36Å; T182-H184 PolarHBondContact O-N 2.98Å; H184-A186 PolarHBondContact O-N 3.22Å | ||
| 185 | T | 41.8 | Very low | 34.6 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -71.6 | 115.9 | 170.1 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 186 | A | 29.7 | Very low | 34.3 | Very low | 97 Ų | 97 | 156.5 Ų | 156.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 116.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | H184 | H184-A186 PolarHBondContact O-N 3.22Š| ||
| 187 | N | 31.6 | Very low | 34.4 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 147.8 | 176.8 | -69 | -35.5 | 0 | 0 | 0 | 110.4 | C189 | N187-C189 PolarHBondContact O-N 3.47Š| ||
| 188 | A | 36.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -65.2 | 123.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 189 | C | 27.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -137.2 | 117.8 | 163.3 | -172 | 0 | 0 | 0 | 0 | 109 | N187 | N187-C189 PolarHBondContact O-N 3.47Š| ||
| 190 | V | 35.3 | Very low | 34.5 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -86.4 | 114.3 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 191 | R | 29.8 | Very low | 34.8 | Very low | 202 Ų | 202 | 156.6 Ų | 156.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -127.6 | 134 | 153.2 | -73.5 | -149 | 69 | 123.7 | 0.2 | 110.3 | ||||
| 192 | R | 30.8 | Very low | 34.5 | Very low | 213 Ų | 213 | 156.8 Ų | 156.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 154.9 | 168.8 | -58.3 | 172.2 | -176.6 | 150.4 | 0.2 | 108.5 | ||
| 193 | T | 29.1 | Very low | 34.8 | Very low | 143 Ų | 143 | 157 Ų | 157 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89 | 118.9 | 151.9 | 26.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 194 | E | 35.4 | Very low | 34.8 | Very low | 122 Ų | 122 | 153 Ų | 153 | 57% | 0.57 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 160.5 | 149.8 | -69.7 | 108.4 | -152.5 | 0 | 0 | 109.4 | ||
| 195 | E | 31.6 | Very low | 34.7 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | cis | -163 | 139.6 | -8.5 | -112.2 | 161.6 | -177.9 | 0 | 0 | 108.4 | ||||
| 196 | E | 31.3 | Very low | 34.5 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 97% | 0.972 | 80% | 0.8 | S | S | * | * | trans | -102.8 | 95.5 | 161.5 | -83.2 | -170.4 | 153.6 | 0 | 0 | 108.5 | ||||
| 197 | Q | 40.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -114 | 77 | -179.6 | -167.3 | -173.3 | -82.9 | 0 | 0 | 112.3 | ||||
| 198 | E | 44 | Very low | 34.9 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -146.6 | 103.2 | 159.8 | -162 | 160.9 | -140.7 | 0 | 0 | 112.6 | ||||
| 199 | T | 29.8 | Very low | 34.8 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -168 | 60.8 | 152 | 8.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 200 | R | 40.9 | Very low | 35.3 | Very low | 218 Ų | 218 | 159.4 Ų | 159.4 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 147.9 | 142.2 | -84.8 | -168.5 | -174.8 | -137.5 | 8.7 | 107.8 | ||||
| 201 | D | 41.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 158.8 Ų | 158.8 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -134.9 | 147.2 | -2.1 | -73.6 | -64 | 0 | 0 | 0 | 110 | ||||
| 202 | V | 34.3 | Very low | 36 | Very low | 135 Ų | 135 | 154.7 Ų | 154.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -139.1 | 132.2 | 157.7 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | L204 | V202-L204 PolarHBondContact O-N 3.26Š| ||
| 203 | P | 39.9 | Very low | 36.5 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 127.2 | -167.3 | -26.8 | 35.8 | 0 | 0 | 0 | 114.7 | F205 | P203-F205 PolarHBondContact O-N 2.88Š| ||
| 204 | L | 35.7 | Very low | 37.1 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 104.1 | 169.7 | -159.3 | 81.8 | 0 | 0 | 0 | 108.9 | V202 S206 | V202-L204 PolarHBondContact O-N 3.26Å; L204-S206 PolarHBondContact O-N 3.43Å | ||
| 205 | F | 32.4 | Very low | 37.4 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 92.2 | 171.6 | -87.9 | -82 | 0 | 0 | 0 | 110.3 | P203 S207 | P203-F205 PolarHBondContact O-N 2.88Å; F205-S207 VanDerWaalsContact C-N 3.33Å; F205-S207 PolarHBondContact O-N 2.96Å | ||
| 206 | S | 36.6 | Very low | 37.8 | Very low | 96 Ų | 96 | 154.7 Ų | 154.7 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | -67.5 | 84.4 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | L204 Q208 | L204-S206 PolarHBondContact O-N 3.43Å; S206-Q208 PolarHBondContact O-N 3.29Å; S206-Q208 VanDerWaalsContact O-N 3.09Å | ||
| 207 | S | 31.8 | Very low | 38.1 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 101.5 | 163.9 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | F205 H209 | F205-S207 VanDerWaalsContact C-N 3.33Å; F205-S207 PolarHBondContact O-N 2.96Å; S207-H209 PolarHBondContact OG-CD2 2.89Å; S207-H209 PolarHBondContact OG-NE2 3.15Å | ||
| 208 | Q | 38.1 | Very low | 37.7 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -79.8 | 118.6 | 168.5 | -72.5 | -179.6 | -23.5 | 0 | 0 | 109.4 | S206 | S206-Q208 PolarHBondContact O-N 3.29Å; S206-Q208 VanDerWaalsContact O-N 3.09Å | ||
| 209 | H | 35.7 | Very low | 37 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -129.1 | 103.8 | 165.5 | -78.7 | -58.4 | 0 | 0 | 0 | 109.4 | S207 | S207-H209 PolarHBondContact OG-CD2 2.89Å; S207-H209 PolarHBondContact OG-NE2 3.15Å | ||
| 210 | E | 37.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -66.9 | 130.6 | 170.8 | -62.3 | -173 | 127.8 | 0 | 0 | 110.1 | ||||
| 211 | C | 35.8 | Very low | 36.7 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -103.1 | 109.3 | 172.2 | -77.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 212 | P | 42.3 | Very low | 36.3 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 130.7 | -179.2 | 28.4 | -33.7 | 0 | 0 | 0 | 112.2 | ||||
| 213 | L | 41.9 | Very low | 36.7 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 47.8 | 105.1 | 162.4 | -88.8 | 63.6 | 0 | 0 | 0 | 118.3 | ||||
| 214 | V | 41.4 | Very low | 36.4 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -109.3 | 112.9 | 144 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | Q216 | V214-Q216 PolarHBondContact O-N 2.91Š| ||
| 215 | Q | 42.4 | Very low | 36.3 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 115.3 | 178.6 | -77.6 | -173.4 | -20.9 | 0 | 0 | 111.3 | K217 | Q215-K217 PolarHBondContact O-N 3.4Š| ||
| 216 | Q | 39.1 | Very low | 36.8 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 90.9 | 178.8 | -174.9 | -177.2 | 9.4 | 0 | 0 | 111.5 | V214 V218 | V214-Q216 PolarHBondContact O-N 2.91Å; Q216-V218 HydrophobicContact CG-CG2 4.48Å; Q216-V218 PolarHBondContact O-N 3.01Å | ||
| 217 | K | 37.9 | Very low | 36.9 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -82 | 107.8 | 165.1 | -86.9 | -173.4 | 173.5 | 179.6 | 0 | 110.3 | Q215 S219 | Q215-K217 PolarHBondContact O-N 3.4Å; K217-S219 PolarHBondContact O-N 2.96Å | ||
| 218 | V | 31.8 | Very low | 37.1 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -68.4 | 119.5 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | Q216 R220 | Q216-V218 HydrophobicContact CG-CG2 4.48Å; Q216-V218 PolarHBondContact O-N 3.01Å; V218-R220 PolarHBondContact O-N 3.35Å | ||
| 219 | S | 29.3 | Very low | 37.1 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 115.3 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | K217 | K217-S219 PolarHBondContact O-N 2.96Š| ||
| 220 | R | 32.1 | Very low | 37.2 | Very low | 228 Ų | 228 | 151.2 Ų | 151.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -84.9 | 113.1 | 166.5 | -78.2 | -173.6 | 173.9 | -177.8 | -1.8 | 108.8 | V218 T222 | V218-R220 PolarHBondContact O-N 3.35Å; R220-T222 PolarHBondContact O-N 3.3Å | ||
| 221 | H | 32.7 | Very low | 37.2 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -73 | 106 | 166.8 | -78 | -101.9 | 0 | 0 | 0 | 109.7 | ||||
| 222 | T | 34.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | -86.8 | 111.8 | 162.7 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | R220 L224 | R220-T222 PolarHBondContact O-N 3.3Å; T222-L224 HydrophobicContact CG2-CD1 4.48Å | ||
| 223 | L | 40.8 | Very low | 37.3 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -72 | 125.9 | 166.4 | -73.1 | 166.8 | 0 | 0 | 0 | 108.9 | ||||
| 224 | L | 34 | Very low | 37.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 121.6 | 166.7 | -107.6 | 162.6 | 0 | 0 | 0 | 108.3 | T222 | T222-L224 HydrophobicContact CG2-CD1 4.48Š| ||
| 225 | N | 33.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -89.2 | 132.3 | -168.6 | -160.3 | 26.4 | 0 | 0 | 0 | 109.6 | N227 | N225-N227 PolarHBondContact O-N 2.8Š| ||
| 226 | P | 44.1 | Very low | 37.6 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 121.1 | -178.7 | 30.4 | -33.3 | 0 | 0 | 0 | 111.5 | ||||
| 227 | N | 38.3 | Very low | 37.7 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -179.9 | 109.1 | 144.9 | -95.4 | -21.6 | 0 | 0 | 0 | 111 | N225 | N225-N227 PolarHBondContact O-N 2.8Š| ||
| 228 | N | 36 | Very low | 38.1 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 179.2 | 131.6 | 113.9 | -90.3 | -11.9 | 0 | 0 | 0 | 112.9 | |||||
| 229 | S | 38.4 | Very low | 38.7 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 30.3 | 122.2 | 149.2 | 60.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 230 | F | 37.6 | Very low | 39.8 | Very low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 38 | 119.1 | 131.3 | -67.1 | -90.8 | 0 | 0 | 0 | 120 | ||||
| 231 | I | 38.4 | Very low | 40.2 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | -137.7 | 142.2 | 99.8 | -77.5 | -159.1 | 0 | 0 | 0 | 108.2 | |||||
| 232 | D | 38.1 | Very low | 40.7 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 135 | 167.7 | 168.8 | 31.9 | 0 | 0 | 0 | 109.7 | G234 | D232-G234 PolarHBondContact OD1-N 3.05Š| ||
| 233 | H | 41.3 | Very low | 41.7 | Very low | 181 Ų | 181 | 141 Ų | 141 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -157.7 | 102.1 | 146.5 | -90.8 | -44.1 | 0 | 0 | 0 | 109.9 | ||||
| 234 | G | 40.8 | Very low | 42 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -63.9 | 145 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D232 | D232-G234 PolarHBondContact OD1-N 3.05Š| ||
| 235 | S | 45.9 | Very low | 43 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -148.7 | 108 | 163.6 | -78.9 | 0 | 0 | 0 | 0 | 109.5 | T237 | S235-T237 PolarHBondContact O-N 2.72Š| ||
| 236 | N | 44.7 | Very low | 43.9 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | trans | -77.9 | 102.8 | 175.1 | -72.9 | -42.3 | 0 | 0 | 0 | 109.6 | ||||
| 237 | T | 42.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 143 Ų | 143 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -115.1 | 94.7 | 168.7 | -46.3 | 0 | 0 | 0 | 0 | 109.7 | S235 L239 | S235-T237 PolarHBondContact O-N 2.72Å; T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 HydrophobicContact CG2-CD1 3.74Å; T237-L239 PolarHBondContact O-N 2.95Å | ||
| 238 | S | 45.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -68.2 | 85.8 | 171.7 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | E240 | S238-E240 PolarHBondContact O-N 2.98Š| ||
| 239 | L | 43.8 | Very low | 46.5 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -69.4 | 98.2 | 163.2 | -87.8 | 86.8 | 0 | 0 | 0 | 108.6 | T237 V241 | T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 HydrophobicContact CG2-CD1 3.74Å; T237-L239 PolarHBondContact O-N 2.95Å; L239-V241 HydrophobicContact CB-CG2 4.33Å; L239-V241 PolarHBondContact O-N 3.33Å | ||
| 240 | E | 52.2 | Low | 48 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 90.2 | 153 | -72 | -163.4 | 117.4 | 0 | 0 | 108.4 | S238 P242 | S238-E240 PolarHBondContact O-N 2.98Å; E240-P242 WeakPolarHBondContact O-CD 3.26Å | ||
| 241 | V | 40.6 | Very low | 49.7 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -69.2 | 112.9 | 169.5 | 179 | 0 | 0 | 0 | 0 | 107.2 | L239 K243 | L239-V241 HydrophobicContact CB-CG2 4.33Å; L239-V241 PolarHBondContact O-N 3.33Å; V241-K243 PolarHBondContact O-N 2.86Å | ||
| 242 | P | 44.3 | Very low | 51.7 | Low | 96 Ų | 96 | 130.1 Ų | 130.1 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | trans | -64.2 | 127.7 | -177.8 | -20.8 | 34.6 | 0 | 0 | 0 | 109.4 | E240 F244 | E240-P242 WeakPolarHBondContact O-CD 3.26Å; P242-F244 HydrophobicContact CB-CD2 4.36Å; P242-F244 PolarHBondContact O-N 3.33Å | ||
| 243 | K | 55.2 | Low | 53.6 | Low | 201 Ų | 201 | 128.5 Ų | 128.5 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | trans | -71.6 | 75.5 | 174.2 | -83.9 | -178.7 | 175 | 170.4 | 0 | 110.5 | V241 L245 | V241-K243 PolarHBondContact O-N 2.86Å; K243-L245 VanDerWaalsContact C-N 3.34Å; K243-L245 PolarHBondContact O-N 3.41Å | ||
| 244 | F | 45.5 | Very low | 55.6 | Low | 147 Ų | 147 | 123.3 Ų | 123.3 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | trans | -62.2 | 96.1 | 165.7 | -106.1 | -95.8 | 0 | 0 | 0 | 109.1 | P242 W246 | P242-F244 HydrophobicContact CB-CD2 4.36Å; P242-F244 PolarHBondContact O-N 3.33Å; F244-W246 HydrophobicContact CD1-CZ2 4.3Å; F244-W246 PolarHBondContact O-N 2.89Å | ||
| 245 | L | 56.8 | Low | 57.8 | Low | 161 Ų | 161 | 125.4 Ų | 125.4 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | trans | -72.8 | 79.1 | 168.6 | -77.3 | 167.1 | 0 | 0 | 0 | 108.6 | K243 P247 | K243-L245 VanDerWaalsContact C-N 3.34Å; K243-L245 PolarHBondContact O-N 3.41Å; L245-P247 WeakPolarHBondContact O-CD 3.42Å | ||
| 246 | W | 50.7 | Low | 59.7 | Low | 207 Ų | 207 | 124.8 Ų | 124.8 | 78% | 0.784 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -53 | 124.8 | 172.5 | -70.7 | 100.8 | 0 | 0 | 0 | 110.2 | F244 M248 | F244-W246 HydrophobicContact CD1-CZ2 4.3Å; F244-W246 PolarHBondContact O-N 2.89Å; W246-M248 PolarHBondContact O-N 3.36Å; W246-M248 VanDerWaalsContact O-N 3.09Å |
| 247 | P | 55.5 | Low | 61.7 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116.2 | 176 | -25.9 | 35.6 | 0 | 0 | 0 | 110.5 | L245 T249 | L245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-T249 PolarHBondContact O-N 2.92Å |
| 248 | M | 52.7 | Low | 63.9 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 38% | 0.384 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 122 | -175.2 | -164.3 | 168.4 | 85.5 | 0 | 0 | 110.1 | W246 E252 K253 K256 | W246-M248 PolarHBondContact O-N 3.36Å; W246-M248 VanDerWaalsContact O-N 3.09Å; M248-E252 HydrophobicContact CG-CB 3.74Å; M248-E252 HydrophobicContact SD-CB 4.44Å; M248-K253 HydrophobicContact CE-CB 4.29Å; M248-K253 HydrophobicContact CE-CG 3.41Å; M248-K253 VanDerWaalsContact CE-CG 3.41Å; M248-K253 WeakPolarHBondContact O-CE 3.4Å; M248-K253 PolarHBondContact O-NZ 3.24Å; M248-K256 HydrophobicContact CE-CD 3.9Å; M248-K256 HydrophobicContact SD-CD 3.73Å; M248-K256 PolarHBondContact SD-NZ 2.98Å |
| 249 | T | 65.9 | Low | 66 | Low | 83 Ų | 83 | 122.7 Ų | 122.7 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 152 | -179.8 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | P247 E251 E252 K253 | P247-T249 PolarHBondContact O-N 2.92Å; T249-E251 VanDerWaalsContact C-N 3.27Å; T249-E251 PolarHBondContact O-N 2.85Å; T249-E252 WeakPolarHBondContact O-CB 3.49Å; T249-E252 PolarHBondContact O-N 3.21Å; T249-K253 PolarHBondContact O-N 3.43Å |
| 250 | D | 70.1 | Confident | 68.2 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.8 | -29.7 | -175.2 | -65.3 | -61.1 | 0 | 0 | 0 | 113.1 | E252 K253 V254 | D250-E252 VanDerWaalsContact C-N 3.3Å; D250-E252 PolarHBondContact O-N 2.84Å; D250-K253 WeakPolarHBondContact O-CB 3.45Å; D250-K253 PolarHBondContact O-N 2.86Å; D250-K253 VanDerWaalsContact O-N 3.17Å; D250-K253 VanDerWaalsContact OD1-CD 3.32Å; D250-K253 WeakPolarHBondContact OD1-CD 3.41Å; D250-K253 WeakPolarHBondContact OD1-CE 3.24Å; D250-K253 IonicContact OD1-NZ 3.16Å; D250-K253 PolarHBondContact OD1-NZ 3.48Å; D250-V254 WeakPolarHBondContact O-CG2 3.42Å; D250-V254 PolarHBondContact O-N 2.93Å |
| 251 | E | 72.7 | Confident | 70.1 | Confident | 130 Ų | 130 | 115.8 Ų | 115.8 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.9 | -40.7 | 168.9 | -71.4 | -165.1 | -163.8 | 0 | 0 | 112.9 | T249 K253 V254 K255 | T249-E251 VanDerWaalsContact C-N 3.27Å; T249-E251 PolarHBondContact O-N 2.85Å; E251-K253 VanDerWaalsContact C-N 3.32Å; E251-V254 PolarHBondContact O-N 3.15Å; E251-K255 WeakPolarHBondContact O-CB 3.36Å; E251-K255 WeakPolarHBondContact O-CD 2.9Å; E251-K255 WeakPolarHBondContact O-CG 3.47Å; E251-K255 PolarHBondContact O-N 2.93Å; E251-K255 IonicContact OE2-NZ 4Å; E251-K255 PolarHBondContact OE2-NZ 3.12Å |
| 252 | E | 80.6 | Confident | 72.7 | Confident | 86 Ų | 86 | 116.6 Ų | 116.6 | 40% | 0.402 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.8 | -33.3 | 177.6 | -79 | -164.1 | -157.9 | 0 | 0 | 112.1 | M248 T249 D250 K255 K256 | M248-E252 HydrophobicContact CG-CB 3.74Å; M248-E252 HydrophobicContact SD-CB 4.44Å; T249-E252 WeakPolarHBondContact O-CB 3.49Å; T249-E252 PolarHBondContact O-N 3.21Å; D250-E252 VanDerWaalsContact C-N 3.3Å; D250-E252 PolarHBondContact O-N 2.84Å; E252-K255 PolarHBondContact O-N 3.25Å; E252-K256 VanDerWaalsContact O-CB 3.26Å; E252-K256 WeakPolarHBondContact O-CB 3.43Å; E252-K256 WeakPolarHBondContact O-CD 3.44Å; E252-K256 VanDerWaalsContact O-CG 3.27Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 3.27Å; E252-K256 IonicContact OE2-NZ 2.84Å; E252-K256 PolarHBondContact OE2-NZ 3.35Å |
| 253 | K | 78.1 | Confident | 75.1 | Confident | 91 Ų | 91 | 115.8 Ų | 115.8 | 40% | 0.396 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -48.3 | 172.8 | -63.5 | 168.8 | -157.6 | 158.9 | 0 | 110.1 | M248 T249 D250 E251 K256 Q257 | M248-K253 HydrophobicContact CE-CB 4.29Å; M248-K253 HydrophobicContact CE-CG 3.41Å; M248-K253 VanDerWaalsContact CE-CG 3.41Å; M248-K253 WeakPolarHBondContact O-CE 3.4Å; M248-K253 PolarHBondContact O-NZ 3.24Å; T249-K253 PolarHBondContact O-N 3.43Å; D250-K253 WeakPolarHBondContact O-CB 3.45Å; D250-K253 PolarHBondContact O-N 2.86Å; D250-K253 VanDerWaalsContact O-N 3.17Å; D250-K253 VanDerWaalsContact OD1-CD 3.32Å; D250-K253 WeakPolarHBondContact OD1-CD 3.41Å; D250-K253 WeakPolarHBondContact OD1-CE 3.24Å; D250-K253 IonicContact OD1-NZ 3.16Å; D250-K253 PolarHBondContact OD1-NZ 3.48Å; E251-K253 VanDerWaalsContact C-N 3.32Å; K253-K256 PolarHBondContact O-N 3.33Å; K253-Q257 WeakPolarHBondContact O-CB 3.48Å; K253-Q257 PolarHBondContact O-N 2.88Å |
| 254 | V | 83.8 | Confident | 77 | Confident | 72 Ų | 72 | 113.6 Ų | 113.6 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | D250 E251 K256 Q257 H258 | D250-V254 WeakPolarHBondContact O-CG2 3.42Å; D250-V254 PolarHBondContact O-N 2.93Å; E251-V254 PolarHBondContact O-N 3.15Å; V254-K256 PolarHBondContact O-N 3.29Å; V254-Q257 WeakPolarHBondContact O-CB 3.26Å; V254-Q257 PolarHBondContact O-N 3.47Å; V254-H258 PolarHBondContact O-CD2 3.49Å; V254-H258 PolarHBondContact O-N 3.43Å |
| 255 | K | 85.7 | Confident | 79.4 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 47% | 0.474 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177 | -70.8 | 161.4 | -169.3 | 168.2 | 0 | 111.5 | E251 E252 H258 Q259 | E251-K255 WeakPolarHBondContact O-CB 3.36Å; E251-K255 WeakPolarHBondContact O-CD 2.9Å; E251-K255 WeakPolarHBondContact O-CG 3.47Å; E251-K255 PolarHBondContact O-N 2.93Å; E251-K255 IonicContact OE2-NZ 4Å; E251-K255 PolarHBondContact OE2-NZ 3.12Å; E252-K255 PolarHBondContact O-N 3.25Å; K255-H258 PolarHBondContact O-N 2.91Å; K255-Q259 VanDerWaalsContact O-CG 3.29Å; K255-Q259 WeakPolarHBondContact O-CG 3.29Å; K255-Q259 PolarHBondContact O-N 3.39Å |
| 256 | K | 86.4 | Confident | 81.2 | Confident | 96 Ų | 96 | 111.6 Ų | 111.6 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 175.4 | -74.1 | 162.5 | 177.6 | 156.8 | 0 | 112.2 | M248 E252 K253 V254 S260 | M248-K256 HydrophobicContact CE-CD 3.9Å; M248-K256 HydrophobicContact SD-CD 3.73Å; M248-K256 PolarHBondContact SD-NZ 2.98Å; E252-K256 VanDerWaalsContact O-CB 3.26Å; E252-K256 WeakPolarHBondContact O-CB 3.43Å; E252-K256 WeakPolarHBondContact O-CD 3.44Å; E252-K256 VanDerWaalsContact O-CG 3.27Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 3.27Å; E252-K256 IonicContact OE2-NZ 2.84Å; E252-K256 PolarHBondContact OE2-NZ 3.35Å; K253-K256 PolarHBondContact O-N 3.33Å; V254-K256 PolarHBondContact O-N 3.29Å; K256-S260 VanDerWaalsContact O-CB 3.32Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.4Å |
| 257 | Q | 86.3 | Confident | 83.4 | Confident | 111 Ų | 111 | 108.6 Ų | 108.6 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 173.9 | -177.7 | 174.6 | -7.2 | 0 | 0 | 111.9 | K253 V254 S260 Q261 | K253-Q257 WeakPolarHBondContact O-CB 3.48Å; K253-Q257 PolarHBondContact O-N 2.88Å; V254-Q257 WeakPolarHBondContact O-CB 3.26Å; V254-Q257 PolarHBondContact O-N 3.47Å; Q257-S260 PolarHBondContact O-N 2.87Å; Q257-Q261 WeakPolarHBondContact O-CG 2.92Å; Q257-Q261 PolarHBondContact O-N 3.46Å |
| 258 | H | 88.7 | Confident | 85.4 | Confident | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 175.7 | -78.3 | -147.9 | 0 | 0 | 0 | 111.5 | V254 K255 S260 Q261 F262 | V254-H258 PolarHBondContact O-CD2 3.49Å; V254-H258 PolarHBondContact O-N 3.43Å; K255-H258 PolarHBondContact O-N 2.91Å; H258-S260 VanDerWaalsContact C-N 3.35Å; H258-S260 PolarHBondContact O-N 3.22Å; H258-Q261 PolarHBondContact O-N 3.5Å; H258-F262 WeakPolarHBondContact O-CB 3.28Å; H258-F262 PolarHBondContact O-N 3.25Å |
| 259 | Q | 90.1 | Very high | 87.5 | Confident | 123 Ų | 123 | 106.8 Ų | 106.8 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 173.9 | -72 | 171.5 | 5.1 | 0 | 0 | 112.1 | K255 F262 L263 | K255-Q259 VanDerWaalsContact O-CG 3.29Å; K255-Q259 WeakPolarHBondContact O-CG 3.29Å; K255-Q259 PolarHBondContact O-N 3.39Å; Q259-F262 PolarHBondContact O-N 2.96Å; Q259-L263 WeakPolarHBondContact O-CB 3.15Å; Q259-L263 VanDerWaalsContact O-CG 3.29Å; Q259-L263 WeakPolarHBondContact O-CG 3.38Å; Q259-L263 PolarHBondContact O-N 2.99Å |
| 260 | S | 91.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 106.3 Ų | 106.3 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | K256 Q257 H258 L263 K264 | K256-S260 VanDerWaalsContact O-CB 3.32Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.4Å; Q257-S260 PolarHBondContact O-N 2.87Å; H258-S260 VanDerWaalsContact C-N 3.35Å; H258-S260 PolarHBondContact O-N 3.22Å; S260-L263 PolarHBondContact O-N 3.46Å; S260-K264 WeakPolarHBondContact O-CB 3.42Å; S260-K264 PolarHBondContact O-N 3.36Å |
| 261 | Q | 91.8 | Very high | 90.1 | Very high | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.6 | -74 | 179 | -5.8 | 0 | 0 | 111.9 | Q257 H258 L263 K264 H265 | Q257-Q261 WeakPolarHBondContact O-CG 2.92Å; Q257-Q261 PolarHBondContact O-N 3.46Å; H258-Q261 PolarHBondContact O-N 3.5Å; Q261-L263 PolarHBondContact O-N 3.45Å; Q261-K264 WeakPolarHBondContact O-CB 3.37Å; Q261-K264 PolarHBondContact O-N 3.45Å; Q261-H265 WeakPolarHBondContact O-CB 3.49Å; Q261-H265 PolarHBondContact O-N 2.98Å |
| 262 | F | 95.1 | Very high | 91.2 | Very high | 132 Ų | 132 | 100.8 Ų | 100.8 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 174.7 | 176.6 | -100.7 | 0 | 0 | 0 | 111.7 | H258 Q259 K264 H265 R266 | H258-F262 WeakPolarHBondContact O-CB 3.28Å; H258-F262 PolarHBondContact O-N 3.25Å; Q259-F262 PolarHBondContact O-N 2.96Å; F262-K264 VanDerWaalsContact C-N 3.34Å; F262-K264 PolarHBondContact O-N 2.92Å; F262-H265 PolarHBondContact O-N 3.46Å; F262-R266 VanDerWaalsContact O-CB 3.3Å; F262-R266 WeakPolarHBondContact O-CB 3.49Å; F262-R266 PolarHBondContact O-N 3.43Å |
| 263 | L | 95 | Very high | 91.9 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 41% | 0.414 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.1 | -31.8 | 176.4 | -69.4 | 172.5 | 0 | 0 | 0 | 112.7 | Q259 S260 Q261 R267 | Q259-L263 WeakPolarHBondContact O-CB 3.15Å; Q259-L263 VanDerWaalsContact O-CG 3.29Å; Q259-L263 WeakPolarHBondContact O-CG 3.38Å; Q259-L263 PolarHBondContact O-N 2.99Å; S260-L263 PolarHBondContact O-N 3.46Å; Q261-L263 PolarHBondContact O-N 3.45Å; L263-R267 WeakPolarHBondContact O-CB 3.48Å; L263-R267 WeakPolarHBondContact O-CG 3.48Å; L263-R267 PolarHBondContact O-N 2.96Å; L263-R267 VanDerWaalsContact O-N 3.12Å; L263-R267 PolarHBondContact O-NE 3.44Å; L263-R267 PolarHBondContact O-NH2 3.1Å |
| 264 | K | 94.9 | Very high | 92.8 | Very high | 156 Ų | 156 | 102.3 Ų | 102.3 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.8 | -49.5 | 171.5 | -176.2 | -178 | 177.2 | -176.7 | 0 | 111 | S260 Q261 F262 R267 L268 | S260-K264 WeakPolarHBondContact O-CB 3.42Å; S260-K264 PolarHBondContact O-N 3.36Å; Q261-K264 WeakPolarHBondContact O-CB 3.37Å; Q261-K264 PolarHBondContact O-N 3.45Å; F262-K264 VanDerWaalsContact C-N 3.34Å; F262-K264 PolarHBondContact O-N 2.92Å; K264-R267 PolarHBondContact O-N 2.98Å; K264-L268 PolarHBondContact O-N 2.67Å |
| 265 | H | 94.9 | Very high | 93.4 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 179.2 | -178.4 | 72.2 | 0 | 0 | 0 | 111.7 | Q261 F262 R267 L268 V269 | Q261-H265 WeakPolarHBondContact O-CB 3.49Å; Q261-H265 PolarHBondContact O-N 2.98Å; F262-H265 PolarHBondContact O-N 3.46Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 3.37Å; H265-L268 WeakPolarHBondContact O-CB 3.47Å; H265-L268 PolarHBondContact O-N 3.13Å; H265-V269 PolarHBondContact O-N 3.04Å |
| 266 | R | 95.7 | Very high | 93.8 | Very high | 147 Ų | 147 | 103.4 Ų | 103.4 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.5 | -40 | 175.3 | -174.6 | -179.7 | 176.1 | -155.4 | -0.9 | 112.4 | F262 M270 | F262-R266 VanDerWaalsContact O-CB 3.3Å; F262-R266 WeakPolarHBondContact O-CB 3.49Å; F262-R266 PolarHBondContact O-N 3.43Å; R266-M270 HydrophobicContact CG-CG 4.45Å; R266-M270 WeakPolarHBondContact O-CB 3.46Å; R266-M270 WeakPolarHBondContact O-CG 3.43Å; R266-M270 PolarHBondContact O-N 3.37Å; R266-M270 VanDerWaalsContact O-N 3.13Å |
| 267 | R | 96.5 | Very high | 94.4 | Very high | 144 Ų | 144 | 103.5 Ų | 103.5 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 174.6 | -80.7 | 179.5 | -67.8 | -128.5 | -1.5 | 112.7 | L263 K264 H265 N271 | L263-R267 WeakPolarHBondContact O-CB 3.48Å; L263-R267 WeakPolarHBondContact O-CG 3.48Å; L263-R267 PolarHBondContact O-N 2.96Å; L263-R267 VanDerWaalsContact O-N 3.12Å; L263-R267 PolarHBondContact O-NE 3.44Å; L263-R267 PolarHBondContact O-NH2 3.1Å; K264-R267 PolarHBondContact O-N 2.98Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 3.37Å; R267-N271 WeakPolarHBondContact O-CB 3.39Å; R267-N271 VanDerWaalsContact O-CG 3.26Å; R267-N271 PolarHBondContact O-N 3.3Å; R267-N271 VanDerWaalsContact O-N 3.07Å |
| 268 | L | 96.7 | Very high | 94.9 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -52.3 | 176.4 | 179.9 | 61.4 | 0 | 0 | 0 | 111.2 | K264 H265 M270 N271 T272 | K264-L268 PolarHBondContact O-N 2.67Å; H265-L268 WeakPolarHBondContact O-CB 3.47Å; H265-L268 PolarHBondContact O-N 3.13Å; L268-M270 PolarHBondContact O-N 2.77Å; L268-N271 WeakPolarHBondContact O-CA 3.3Å; L268-N271 WeakPolarHBondContact O-CB 3.49Å; L268-N271 PolarHBondContact O-N 3.39Å; L268-T272 HydrophobicContact CD1-CG2 4.4Å; L268-T272 PolarHBondContact O-N 3.26Å; L268-T272 PolarHBondContact O-OG1 2.74Å |
| 269 | V | 96.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 104.1 Ų | 104.1 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 179.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | H265 N271 T272 E273 | H265-V269 PolarHBondContact O-N 3.04Å; V269-N271 PolarHBondContact O-N 3.06Å; V269-T272 WeakPolarHBondContact CA-OG1 3.33Å; V269-T272 PolarHBondContact O-N 3.14Å; V269-T272 PolarHBondContact O-OG1 3.17Å; V269-E273 HydrophobicContact CG1-CG 4.46Å; V269-E273 WeakPolarHBondContact CG1-OE1 3.44Å; V269-E273 WeakPolarHBondContact O-CG 3.37Å; V269-E273 PolarHBondContact O-N 2.99Å |
| 270 | M | 95.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 36% | 0.36 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -24.3 | 177.2 | -64.5 | -80.8 | -6.9 | 0 | 0 | 113.3 | R266 L268 E273 R274 | R266-M270 HydrophobicContact CG-CG 4.45Å; R266-M270 WeakPolarHBondContact O-CB 3.46Å; R266-M270 WeakPolarHBondContact O-CG 3.43Å; R266-M270 PolarHBondContact O-N 3.37Å; R266-M270 VanDerWaalsContact O-N 3.13Å; L268-M270 PolarHBondContact O-N 2.77Å; M270-E273 VanDerWaalsContact CE-OE2 3.32Å; M270-E273 WeakPolarHBondContact CE-OE2 3.42Å; M270-R274 WeakPolarHBondContact O-CG 3.48Å; M270-R274 PolarHBondContact O-N 3.01Å; M270-R274 PolarHBondContact O-NE 2.94Å; M270-R274 VanDerWaalsContact O-NE 3.1Å; M270-R274 PolarHBondContact O-NH1 3.49Å; M270-R274 PolarHBondContact O-NH2 3.45Å |
| 271 | N | 96.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 103.9 Ų | 103.9 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.8 | -47.8 | 173.2 | -79.8 | -4.3 | 0 | 0 | 0 | 111.1 | R267 L268 V269 E273 R274 E275 | R267-N271 WeakPolarHBondContact O-CB 3.39Å; R267-N271 VanDerWaalsContact O-CG 3.26Å; R267-N271 PolarHBondContact O-N 3.3Å; R267-N271 VanDerWaalsContact O-N 3.07Å; L268-N271 WeakPolarHBondContact O-CA 3.3Å; L268-N271 WeakPolarHBondContact O-CB 3.49Å; L268-N271 PolarHBondContact O-N 3.39Å; V269-N271 PolarHBondContact O-N 3.06Å; N271-E273 VanDerWaalsContact C-N 3.3Å; N271-E273 PolarHBondContact O-N 2.84Å; N271-R274 CarbonylContact O-C 3.58Å; N271-R274 WeakPolarHBondContact O-CA 3.37Å; N271-R274 WeakPolarHBondContact O-CB 3.27Å; N271-R274 PolarHBondContact O-N 3.39Å; N271-R274 PolarHBondContact OD1-NH2 2.91Å; N271-E275 PolarHBondContact O-N 2.97Å |
| 272 | T | 96.2 | Very high | 96.2 | Very high | 55 Ų | 55 | 104.9 Ų | 104.9 | 34% | 0.337 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.3 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | L268 V269 E275 Q276 | L268-T272 HydrophobicContact CD1-CG2 4.4Å; L268-T272 PolarHBondContact O-N 3.26Å; L268-T272 PolarHBondContact O-OG1 2.74Å; V269-T272 WeakPolarHBondContact CA-OG1 3.33Å; V269-T272 PolarHBondContact O-N 3.14Å; V269-T272 PolarHBondContact O-OG1 3.17Å; T272-E275 PolarHBondContact O-N 2.93Å; T272-Q276 WeakPolarHBondContact O-CB 3.47Å; T272-Q276 VanDerWaalsContact O-CG 3.28Å; T272-Q276 WeakPolarHBondContact O-CG 3.18Å; T272-Q276 PolarHBondContact O-N 3.04Å |
| 273 | E | 95.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 170.4 | -73.2 | 169.8 | -178.7 | 0 | 0 | 111.9 | V269 M270 N271 E275 Q276 V277 | V269-E273 HydrophobicContact CG1-CG 4.46Å; V269-E273 WeakPolarHBondContact CG1-OE1 3.44Å; V269-E273 WeakPolarHBondContact O-CG 3.37Å; V269-E273 PolarHBondContact O-N 2.99Å; M270-E273 VanDerWaalsContact CE-OE2 3.32Å; M270-E273 WeakPolarHBondContact CE-OE2 3.42Å; N271-E273 VanDerWaalsContact C-N 3.3Å; N271-E273 PolarHBondContact O-N 2.84Å; E273-E275 VanDerWaalsContact C-N 3.26Å; E273-E275 PolarHBondContact O-N 3.32Å; E273-Q276 PolarHBondContact O-N 2.99Å; E273-V277 WeakPolarHBondContact O-CB 3.43Å; E273-V277 VanDerWaalsContact O-CG2 3.27Å; E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 2.87Å |
| 274 | R | 96.9 | Very high | 96.4 | Very high | 121 Ų | 121 | 107.8 Ų | 107.8 | 46% | 0.457 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -31.6 | 177.3 | -81.8 | -175.4 | -73.7 | -92.8 | 2.3 | 112.5 | M270 N271 K278 | M270-R274 WeakPolarHBondContact O-CG 3.48Å; M270-R274 PolarHBondContact O-N 3.01Å; M270-R274 PolarHBondContact O-NE 2.94Å; M270-R274 VanDerWaalsContact O-NE 3.1Å; M270-R274 PolarHBondContact O-NH1 3.49Å; M270-R274 PolarHBondContact O-NH2 3.45Å; N271-R274 CarbonylContact O-C 3.58Å; N271-R274 WeakPolarHBondContact O-CA 3.37Å; N271-R274 WeakPolarHBondContact O-CB 3.27Å; N271-R274 PolarHBondContact O-N 3.39Å; N271-R274 PolarHBondContact OD1-NH2 2.91Å; R274-K278 WeakPolarHBondContact O-CD 3.38Å; R274-K278 WeakPolarHBondContact O-CG 3.43Å; R274-K278 PolarHBondContact O-N 3.04Å |
| 275 | E | 96.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 105.6 Ų | 105.6 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.1 | -50.4 | 175.9 | -78.1 | 153 | -168.2 | 0 | 0 | 110.9 | N271 T272 E273 V277 K278 E279 | N271-E275 PolarHBondContact O-N 2.97Å; T272-E275 PolarHBondContact O-N 2.93Å; E273-E275 VanDerWaalsContact C-N 3.26Å; E273-E275 PolarHBondContact O-N 3.32Å; E275-V277 VanDerWaalsContact C-N 3.26Å; E275-V277 PolarHBondContact O-N 3.29Å; E275-K278 WeakPolarHBondContact O-CA 3.37Å; E275-K278 WeakPolarHBondContact O-CB 3.41Å; E275-K278 PolarHBondContact O-N 3.47Å; E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 3.41Å |
| 276 | Q | 94.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.3 | -38.4 | 172.5 | -72 | 173.1 | 2.8 | 0 | 0 | 112.7 | T272 E273 E279 N280 | T272-Q276 WeakPolarHBondContact O-CB 3.47Å; T272-Q276 VanDerWaalsContact O-CG 3.28Å; T272-Q276 WeakPolarHBondContact O-CG 3.18Å; T272-Q276 PolarHBondContact O-N 3.04Å; E273-Q276 PolarHBondContact O-N 2.99Å; Q276-E279 PolarHBondContact O-N 3.48Å; Q276-N280 VanDerWaalsContact O-CB 3.26Å; Q276-N280 WeakPolarHBondContact O-CB 3.32Å; Q276-N280 PolarHBondContact O-N 3.39Å; Q276-N280 PolarHBondContact O-ND2 3.33Å |
| 277 | V | 97.2 | Very high | 96.8 | Very high | 98 Ų | 98 | 103 Ų | 103 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 175.6 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | E273 E275 Q281 | E273-V277 WeakPolarHBondContact O-CB 3.43Å; E273-V277 VanDerWaalsContact O-CG2 3.27Å; E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 2.87Å; E275-V277 VanDerWaalsContact C-N 3.26Å; E275-V277 PolarHBondContact O-N 3.29Å; V277-Q281 WeakPolarHBondContact O-CB 3.49Å; V277-Q281 PolarHBondContact O-N 2.83Å |
| 278 | K | 97.6 | Very high | 96.9 | Very high | 122 Ų | 122 | 103.4 Ų | 103.4 | 53% | 0.53 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 173.5 | -70.4 | 162 | -171.7 | 171.5 | 0 | 110.8 | R274 E275 Q281 Q282 | R274-K278 WeakPolarHBondContact O-CD 3.38Å; R274-K278 WeakPolarHBondContact O-CG 3.43Å; R274-K278 PolarHBondContact O-N 3.04Å; E275-K278 WeakPolarHBondContact O-CA 3.37Å; E275-K278 WeakPolarHBondContact O-CB 3.41Å; E275-K278 PolarHBondContact O-N 3.47Å; K278-Q281 WeakPolarHBondContact O-CB 3.33Å; K278-Q281 PolarHBondContact O-N 2.93Å; K278-Q282 WeakPolarHBondContact O-CG 3.26Å; K278-Q282 PolarHBondContact O-N 3.4Å |
| 279 | E | 97.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 106.8 Ų | 106.8 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 179.4 | -70.6 | 174.4 | 165.6 | 0 | 0 | 111.5 | E275 Q276 Q281 Q282 L283 | E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 3.41Å; Q276-E279 PolarHBondContact O-N 3.48Å; E279-Q281 VanDerWaalsContact C-N 3.27Å; E279-Q281 PolarHBondContact O-N 2.96Å; E279-Q282 CarbonylContact O-C 3.57Å; E279-Q282 WeakPolarHBondContact O-CB 3.46Å; E279-Q282 PolarHBondContact O-N 3.2Å; E279-L283 WeakPolarHBondContact O-CB 3.41Å; E279-L283 PolarHBondContact O-N 2.99Å |
| 280 | N | 96.9 | Very high | 97 | Very high | 86 Ų | 86 | 106.7 Ų | 106.7 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 174 | -84.6 | -73.6 | 0 | 0 | 0 | 112.2 | Q276 R284 | Q276-N280 VanDerWaalsContact O-CB 3.26Å; Q276-N280 WeakPolarHBondContact O-CB 3.32Å; Q276-N280 PolarHBondContact O-N 3.39Å; Q276-N280 PolarHBondContact O-ND2 3.33Å; N280-R284 VanDerWaalsContact O-CB 3.3Å; N280-R284 WeakPolarHBondContact O-CB 3.36Å; N280-R284 WeakPolarHBondContact O-CG 3.35Å; N280-R284 PolarHBondContact O-N 3Å |
| 281 | Q | 97.2 | Very high | 97.2 | Very high | 104 Ų | 104 | 106 Ų | 106 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 174.5 | -161.8 | -163.2 | 84.6 | 0 | 0 | 111.9 | V277 K278 E279 K285 | V277-Q281 WeakPolarHBondContact O-CB 3.49Å; V277-Q281 PolarHBondContact O-N 2.83Å; K278-Q281 WeakPolarHBondContact O-CB 3.33Å; K278-Q281 PolarHBondContact O-N 2.93Å; E279-Q281 VanDerWaalsContact C-N 3.27Å; E279-Q281 PolarHBondContact O-N 2.96Å; Q281-K285 HydrophobicContact CG-CD 4.47Å; Q281-K285 WeakPolarHBondContact O-CB 3.21Å; Q281-K285 WeakPolarHBondContact O-CD 3.33Å; Q281-K285 VanDerWaalsContact O-CG 3.23Å; Q281-K285 WeakPolarHBondContact O-CG 3.38Å; Q281-K285 PolarHBondContact O-N 3.29Å |
| 282 | Q | 97.5 | Very high | 97.3 | Very high | 128 Ų | 128 | 111.8 Ų | 111.8 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -44.5 | 174.7 | -71.5 | -178.9 | 30.1 | 0 | 0 | 111.8 | K278 E279 K285 H286 | K278-Q282 WeakPolarHBondContact O-CG 3.26Å; K278-Q282 PolarHBondContact O-N 3.4Å; E279-Q282 CarbonylContact O-C 3.57Å; E279-Q282 WeakPolarHBondContact O-CB 3.46Å; E279-Q282 PolarHBondContact O-N 3.2Å; Q282-K285 CarbonylContact O-C 3.56Å; Q282-K285 WeakPolarHBondContact O-CB 3.36Å; Q282-K285 PolarHBondContact O-N 2.98Å; Q282-K285 VanDerWaalsContact O-N 3.14Å; Q282-H286 WeakPolarHBondContact O-CB 3.43Å; Q282-H286 PolarHBondContact O-N 3.04Å |
| 283 | L | 97 | Very high | 97.3 | Very high | 94 Ų | 94 | 113.3 Ų | 113.3 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.2 | 179.4 | 59.7 | 0 | 0 | 0 | 111.2 | E279 K285 H286 L287 | E279-L283 WeakPolarHBondContact O-CB 3.41Å; E279-L283 PolarHBondContact O-N 2.99Å; L283-K285 VanDerWaalsContact C-N 3.29Å; L283-K285 PolarHBondContact O-N 2.96Å; L283-H286 PolarHBondContact O-N 3.09Å; L283-H286 VanDerWaalsContact O-N 3.14Å; L283-L287 HydrophobicContact CD1-CD1 4.08Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 3.99Å; L283-L287 HydrophobicContact CG-CG 4.4Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.99Å |
| 284 | R | 97.4 | Very high | 97.5 | Very high | 178 Ų | 178 | 116.2 Ų | 116.2 | 67% | 0.672 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.1 | -36.3 | 173.5 | -73.7 | 172.1 | 178.1 | -161.6 | -1.7 | 112.4 | N280 K288 | N280-R284 VanDerWaalsContact O-CB 3.3Å; N280-R284 WeakPolarHBondContact O-CB 3.36Å; N280-R284 WeakPolarHBondContact O-CG 3.35Å; N280-R284 PolarHBondContact O-N 3Å; R284-K288 WeakPolarHBondContact O-CB 3.5Å; R284-K288 VanDerWaalsContact O-CG 3.28Å; R284-K288 WeakPolarHBondContact O-CG 3.35Å; R284-K288 PolarHBondContact O-N 3.48Å |
| 285 | K | 98.2 | Very high | 97.5 | Very high | 111 Ų | 111 | 113 Ų | 113 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 172.9 | -76.4 | 164.2 | 171.5 | 174.3 | 0 | 111.9 | Q281 Q282 L283 R289 | Q281-K285 HydrophobicContact CG-CD 4.47Å; Q281-K285 WeakPolarHBondContact O-CB 3.21Å; Q281-K285 WeakPolarHBondContact O-CD 3.33Å; Q281-K285 VanDerWaalsContact O-CG 3.23Å; Q281-K285 WeakPolarHBondContact O-CG 3.38Å; Q281-K285 PolarHBondContact O-N 3.29Å; Q282-K285 CarbonylContact O-C 3.56Å; Q282-K285 WeakPolarHBondContact O-CB 3.36Å; Q282-K285 PolarHBondContact O-N 2.98Å; Q282-K285 VanDerWaalsContact O-N 3.14Å; L283-K285 VanDerWaalsContact C-N 3.29Å; L283-K285 PolarHBondContact O-N 2.96Å; K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.31Å; K285-R289 VanDerWaalsContact O-N 3.14Å |
| 286 | H | 98.1 | Very high | 97.6 | Very high | 111 Ų | 111 | 115.2 Ų | 115.2 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -53.6 | 177.6 | 179.3 | -106.7 | 0 | 0 | 0 | 111.4 | Q282 L283 K288 R289 T290 | Q282-H286 WeakPolarHBondContact O-CB 3.43Å; Q282-H286 PolarHBondContact O-N 3.04Å; L283-H286 PolarHBondContact O-N 3.09Å; L283-H286 VanDerWaalsContact O-N 3.14Å; H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 3.02Å; H286-R289 WeakPolarHBondContact O-CA 3.3Å; H286-R289 WeakPolarHBondContact O-CB 3.39Å; H286-R289 PolarHBondContact O-N 2.88Å; H286-T290 PolarHBondContact O-N 3.17Å; H286-T290 PolarHBondContact O-OG1 3.34Å; H286-T290 VanDerWaalsContact O-OG1 3.13Å |
| 287 | L | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 117 Ų | 117 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -55.8 | -40.9 | 177.8 | -68.3 | 171.3 | 0 | 0 | 0 | 112 | L283 R289 T290 A291 | L283-L287 HydrophobicContact CD1-CD1 4.08Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 3.99Å; L283-L287 HydrophobicContact CG-CG 4.4Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.99Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 2.96Å; L287-T290 PolarHBondContact O-N 3.45Å; L287-A291 VanDerWaalsContact O-CB 3.3Å; L287-A291 WeakPolarHBondContact O-CB 3.33Å; L287-A291 PolarHBondContact O-N 3.14Å |
| 288 | K | 98.1 | Very high | 97.8 | Very high | 152 Ų | 152 | 115.5 Ų | 115.5 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -31.4 | 174.1 | -75.3 | -177.2 | 178.8 | -166.2 | 0 | 113.6 | R284 H286 R292 | R284-K288 WeakPolarHBondContact O-CB 3.5Å; R284-K288 VanDerWaalsContact O-CG 3.28Å; R284-K288 WeakPolarHBondContact O-CG 3.35Å; R284-K288 PolarHBondContact O-N 3.48Å; H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 3.02Å; K288-R292 VanDerWaalsContact O-CG 3.28Å; K288-R292 WeakPolarHBondContact O-CG 3.46Å; K288-R292 PolarHBondContact O-N 2.8Å |
| 289 | R | 98.3 | Very high | 97.8 | Very high | 174 Ų | 174 | 116.4 Ų | 116.4 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71 | -48 | 171.4 | -70.6 | 168.9 | 175.7 | -179.2 | -3.3 | 110.9 | K285 H286 L287 A291 R292 I293 | K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.31Å; K285-R289 VanDerWaalsContact O-N 3.14Å; H286-R289 WeakPolarHBondContact O-CA 3.3Å; H286-R289 WeakPolarHBondContact O-CB 3.39Å; H286-R289 PolarHBondContact O-N 2.88Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 2.96Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.35Å; R289-R292 PolarHBondContact O-N 3Å; R289-I293 WeakPolarHBondContact O-CG1 3.23Å; R289-I293 PolarHBondContact O-N 3.36Å |
| 290 | T | 98.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 115.3 Ų | 115.3 | 31% | 0.307 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 178.2 | -47 | 0 | 0 | 0 | 0 | 111.9 | H286 L287 I293 K294 | H286-T290 PolarHBondContact O-N 3.17Å; H286-T290 PolarHBondContact O-OG1 3.34Å; H286-T290 VanDerWaalsContact O-OG1 3.13Å; L287-T290 PolarHBondContact O-N 3.45Å; T290-I293 PolarHBondContact O-N 3.06Å; T290-K294 WeakPolarHBondContact O-CG 3.31Å; T290-K294 PolarHBondContact O-N 2.97Å |
| 291 | A | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 117.9 Ų | 117.9 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L287 R289 K294 A295 | L287-A291 VanDerWaalsContact O-CB 3.3Å; L287-A291 WeakPolarHBondContact O-CB 3.33Å; L287-A291 PolarHBondContact O-N 3.14Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.35Å; A291-K294 PolarHBondContact O-N 3.47Å; A291-A295 WeakPolarHBondContact O-CB 3.28Å; A291-A295 PolarHBondContact O-N 3.1Å |
| 292 | R | 98.4 | Very high | 97.9 | Very high | 191 Ų | 191 | 117.2 Ų | 117.2 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61 | -49 | 174.1 | -76.5 | 173.8 | 176.7 | -154 | -3.6 | 112 | K288 R289 K294 A295 E296 | K288-R292 VanDerWaalsContact O-CG 3.28Å; K288-R292 WeakPolarHBondContact O-CG 3.46Å; K288-R292 PolarHBondContact O-N 2.8Å; R289-R292 PolarHBondContact O-N 3Å; R292-K294 VanDerWaalsContact C-N 3.28Å; R292-K294 PolarHBondContact O-N 3.48Å; R292-A295 PolarHBondContact O-N 3.45Å; R292-A295 VanDerWaalsContact O-N 3.17Å; R292-E296 VanDerWaalsContact O-CB 3.31Å; R292-E296 WeakPolarHBondContact O-CB 3.46Å; R292-E296 PolarHBondContact O-N 2.93Å |
| 293 | I | 97.8 | Very high | 97.8 | Very high | 88 Ų | 88 | 115.7 Ų | 115.7 | 45% | 0.451 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.8 | -65.8 | 163.4 | 0 | 0 | 0 | 111.2 | R289 T290 K297 | R289-I293 WeakPolarHBondContact O-CG1 3.23Å; R289-I293 PolarHBondContact O-N 3.36Å; T290-I293 PolarHBondContact O-N 3.06Å; I293-K297 HydrophobicContact CG2-CD 4.42Å; I293-K297 WeakPolarHBondContact O-CB 3.5Å; I293-K297 WeakPolarHBondContact O-CG 3.22Å; I293-K297 PolarHBondContact O-N 3.4Å; I293-K297 VanDerWaalsContact O-N 3.07Å |
| 294 | K | 98.4 | Very high | 97.8 | Very high | 148 Ų | 148 | 116 Ų | 116 | 64% | 0.643 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -48.8 | 173.3 | -76.9 | -176.4 | 173.8 | -169.2 | 0 | 111.8 | T290 A291 R292 E296 K297 E298 | T290-K294 WeakPolarHBondContact O-CG 3.31Å; T290-K294 PolarHBondContact O-N 2.97Å; A291-K294 PolarHBondContact O-N 3.47Å; R292-K294 VanDerWaalsContact C-N 3.28Å; R292-K294 PolarHBondContact O-N 3.48Å; K294-E296 VanDerWaalsContact C-N 3.32Å; K294-E296 PolarHBondContact O-N 3.21Å; K294-K297 PolarHBondContact O-N 3.44Å; K294-E298 VanDerWaalsContact O-CB 3.29Å; K294-E298 WeakPolarHBondContact O-CB 3.5Å; K294-E298 PolarHBondContact O-N 3.15Å |
| 295 | A | 98.3 | Very high | 97.7 | Very high | 55 Ų | 55 | 113.4 Ų | 113.4 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A291 R292 K299 | A291-A295 WeakPolarHBondContact O-CB 3.28Å; A291-A295 PolarHBondContact O-N 3.1Å; R292-A295 PolarHBondContact O-N 3.45Å; R292-A295 VanDerWaalsContact O-N 3.17Å; A295-K299 WeakPolarHBondContact O-CG 3.41Å; A295-K299 PolarHBondContact O-N 2.96Å |
| 296 | E | 98.3 | Very high | 97.6 | Very high | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.6 | -44.9 | 175.7 | -175 | 171.9 | -160.4 | 0 | 0 | 111.7 | R292 K294 K299 L300 | R292-E296 VanDerWaalsContact O-CB 3.31Å; R292-E296 WeakPolarHBondContact O-CB 3.46Å; R292-E296 PolarHBondContact O-N 2.93Å; K294-E296 VanDerWaalsContact C-N 3.32Å; K294-E296 PolarHBondContact O-N 3.21Å; E296-K299 PolarHBondContact O-N 3.06Å; E296-L300 PolarHBondContact O-N 3.31Å |
| 297 | K | 98.3 | Very high | 97.5 | Very high | 148 Ų | 148 | 112.7 Ų | 112.7 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -36.7 | 173 | -73.9 | -174.5 | 174.5 | -162.5 | 0 | 113.1 | I293 K294 L300 R301 | I293-K297 HydrophobicContact CG2-CD 4.42Å; I293-K297 WeakPolarHBondContact O-CB 3.5Å; I293-K297 WeakPolarHBondContact O-CG 3.22Å; I293-K297 PolarHBondContact O-N 3.4Å; I293-K297 VanDerWaalsContact O-N 3.07Å; K294-K297 PolarHBondContact O-N 3.44Å; K297-L300 PolarHBondContact O-N 2.75Å; K297-R301 PolarHBondContact O-N 2.7Å |
| 298 | E | 97.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 114 Ų | 114 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.6 | 179.1 | 55.2 | -140.1 | 0 | 0 | 111.2 | K294 L300 R301 Q302 | K294-E298 VanDerWaalsContact O-CB 3.29Å; K294-E298 WeakPolarHBondContact O-CB 3.5Å; K294-E298 PolarHBondContact O-N 3.15Å; E298-L300 VanDerWaalsContact C-N 3.35Å; E298-L300 PolarHBondContact O-N 2.93Å; E298-R301 WeakPolarHBondContact O-CB 3.34Å; E298-R301 PolarHBondContact O-N 2.92Å; E298-R301 IonicContact OE1-CZ 2.78Å; E298-R301 IonicContact OE1-NE 2.66Å; E298-R301 IonicContact OE1-NH2 2.62Å; E298-R301 PolarHBondContact OE1-NH2 3.21Å; E298-R301 IonicContact OE2-CZ 3.47Å; E298-R301 VanDerWaalsContact OE2-CZ 3.31Å; E298-R301 IonicContact OE2-NE 3.56Å; E298-R301 IonicContact OE2-NH2 2.68Å; E298-R301 PolarHBondContact OE2-NH2 3.38Å; E298-Q302 WeakPolarHBondContact O-CG 3.38Å; E298-Q302 PolarHBondContact O-N 3.24Å; E298-Q302 PolarHBondContact OE1-NE2 2.71Å |
| 299 | K | 97.5 | Very high | 97.1 | Very high | 142 Ų | 142 | 112.1 Ų | 112.1 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 173.5 | -75.8 | -174.1 | 175 | -160.7 | 0 | 112.7 | A295 E296 R301 Q302 D303 | A295-K299 WeakPolarHBondContact O-CG 3.41Å; A295-K299 PolarHBondContact O-N 2.96Å; E296-K299 PolarHBondContact O-N 3.06Å; K299-R301 VanDerWaalsContact C-N 3.33Å; K299-R301 PolarHBondContact O-N 3.45Å; K299-Q302 PolarHBondContact O-N 2.88Å; K299-D303 WeakPolarHBondContact O-CB 3.24Å; K299-D303 PolarHBondContact O-N 2.8Å |
| 300 | L | 97.8 | Very high | 96.7 | Very high | 99 Ų | 99 | 111.4 Ų | 111.4 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.1 | -177 | 139.5 | 0 | 0 | 0 | 111.9 | E296 K297 E298 D303 E304 | E296-L300 PolarHBondContact O-N 3.31Å; K297-L300 PolarHBondContact O-N 2.75Å; E298-L300 VanDerWaalsContact C-N 3.35Å; E298-L300 PolarHBondContact O-N 2.93Å; L300-D303 PolarHBondContact O-N 2.96Å; L300-E304 WeakPolarHBondContact O-CG 3.31Å; L300-E304 PolarHBondContact O-N 2.88Å |
| 301 | R | 97.6 | Very high | 96.4 | Very high | 140 Ų | 140 | 111.8 Ų | 111.8 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 172 | -176.7 | -176.5 | 69.9 | 176.2 | -0.2 | 111.6 | K297 E298 K299 D303 E304 E305 | K297-R301 PolarHBondContact O-N 2.7Å; E298-R301 WeakPolarHBondContact O-CB 3.34Å; E298-R301 PolarHBondContact O-N 2.92Å; E298-R301 IonicContact OE1-CZ 2.78Å; E298-R301 IonicContact OE1-NE 2.66Å; E298-R301 IonicContact OE1-NH2 2.62Å; E298-R301 PolarHBondContact OE1-NH2 3.21Å; E298-R301 IonicContact OE2-CZ 3.47Å; E298-R301 VanDerWaalsContact OE2-CZ 3.31Å; E298-R301 IonicContact OE2-NE 3.56Å; E298-R301 IonicContact OE2-NH2 2.68Å; E298-R301 PolarHBondContact OE2-NH2 3.38Å; K299-R301 VanDerWaalsContact C-N 3.33Å; K299-R301 PolarHBondContact O-N 3.45Å; R301-D303 PolarHBondContact O-N 3.24Å; R301-E304 PolarHBondContact O-N 3.37Å; R301-E304 VanDerWaalsContact O-N 3.14Å; R301-E305 WeakPolarHBondContact O-CB 3.26Å; R301-E305 PolarHBondContact O-N 2.92Å |
| 302 | Q | 96.8 | Very high | 96.1 | Very high | 90 Ų | 90 | 116.5 Ų | 116.5 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 178.5 | -67.7 | 169.7 | 7 | 0 | 0 | 111.4 | E298 K299 E304 E305 M306 | E298-Q302 WeakPolarHBondContact O-CG 3.38Å; E298-Q302 PolarHBondContact O-N 3.24Å; E298-Q302 PolarHBondContact OE1-NE2 2.71Å; K299-Q302 PolarHBondContact O-N 2.88Å; Q302-E304 VanDerWaalsContact C-N 3.26Å; Q302-E304 PolarHBondContact O-N 3.41Å; Q302-E305 PolarHBondContact O-N 3.44Å; Q302-M306 WeakPolarHBondContact O-CB 3.39Å; Q302-M306 VanDerWaalsContact O-CG 3.24Å; Q302-M306 WeakPolarHBondContact O-CG 3.47Å; Q302-M306 PolarHBondContact O-N 2.79Å |
| 303 | D | 96.4 | Very high | 95.5 | Very high | 96 Ų | 96 | 110.4 Ų | 110.4 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -25.2 | 175.1 | -78.5 | -26 | 0 | 0 | 0 | 112.9 | K299 L300 R301 K307 | K299-D303 WeakPolarHBondContact O-CB 3.24Å; K299-D303 PolarHBondContact O-N 2.8Å; L300-D303 PolarHBondContact O-N 2.96Å; R301-D303 PolarHBondContact O-N 3.24Å; D303-K307 WeakPolarHBondContact O-CD 3.4Å; D303-K307 WeakPolarHBondContact O-CE 3.3Å; D303-K307 WeakPolarHBondContact O-CG 3.34Å; D303-K307 PolarHBondContact O-NZ 3.47Å |
| 304 | E | 96.3 | Very high | 95 | Very high | 101 Ų | 101 | 107.2 Ų | 107.2 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.1 | -43.4 | 173.4 | -74.9 | 175 | 167.6 | 0 | 0 | 111.5 | L300 R301 Q302 K307 L308 | L300-E304 WeakPolarHBondContact O-CG 3.31Å; L300-E304 PolarHBondContact O-N 2.88Å; R301-E304 PolarHBondContact O-N 3.37Å; R301-E304 VanDerWaalsContact O-N 3.14Å; Q302-E304 VanDerWaalsContact C-N 3.26Å; Q302-E304 PolarHBondContact O-N 3.41Å; E304-K307 WeakPolarHBondContact O-CB 3.38Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.11Å; E304-L308 WeakPolarHBondContact O-CG 3.5Å; E304-L308 PolarHBondContact O-N 3.04Å |
| 305 | E | 95.4 | Very high | 94.6 | Very high | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.5 | -47.7 | 174.8 | -171.2 | 166.5 | -167 | 0 | 0 | 111.5 | R301 Q302 K307 L308 E309 | R301-E305 WeakPolarHBondContact O-CB 3.26Å; R301-E305 PolarHBondContact O-N 2.92Å; Q302-E305 PolarHBondContact O-N 3.44Å; E305-K307 VanDerWaalsContact C-N 3.25Å; E305-K307 PolarHBondContact O-N 3.2Å; E305-L308 PolarHBondContact O-N 2.75Å; E305-L308 VanDerWaalsContact O-N 3.15Å; E305-E309 PolarHBondContact O-N 3.45Å |
| 306 | M | 96 | Very high | 94.1 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 41% | 0.409 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -27 | 174.2 | -70.1 | -58.6 | -45.5 | 0 | 0 | 113.6 | Q302 R310 | Q302-M306 WeakPolarHBondContact O-CB 3.39Å; Q302-M306 VanDerWaalsContact O-CG 3.24Å; Q302-M306 WeakPolarHBondContact O-CG 3.47Å; Q302-M306 PolarHBondContact O-N 2.79Å; M306-R310 WeakPolarHBondContact O-CD 3.2Å; M306-R310 WeakPolarHBondContact O-CG 3.48Å; M306-R310 PolarHBondContact O-N 3.47Å |
| 307 | K | 96 | Very high | 93.5 | Very high | 124 Ų | 124 | 98.7 Ų | 98.7 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.7 | -40.8 | 173.7 | -73.8 | 162.8 | -158.8 | 135.6 | 0 | 111.2 | D303 E304 E305 R310 A311 | D303-K307 WeakPolarHBondContact O-CD 3.4Å; D303-K307 WeakPolarHBondContact O-CE 3.3Å; D303-K307 WeakPolarHBondContact O-CG 3.34Å; D303-K307 PolarHBondContact O-NZ 3.47Å; E304-K307 WeakPolarHBondContact O-CB 3.38Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.11Å; E305-K307 VanDerWaalsContact C-N 3.25Å; E305-K307 PolarHBondContact O-N 3.2Å; K307-R310 PolarHBondContact O-N 3.08Å; K307-A311 WeakPolarHBondContact O-CB 3.48Å; K307-A311 PolarHBondContact O-N 2.86Å |
| 308 | L | 95.9 | Very high | 93 | Very high | 128 Ų | 128 | 97.6 Ų | 97.6 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 176.8 | -69.7 | 170.7 | 0 | 0 | 0 | 111.3 | E304 E305 A311 R312 | E304-L308 WeakPolarHBondContact O-CG 3.5Å; E304-L308 PolarHBondContact O-N 3.04Å; E305-L308 PolarHBondContact O-N 2.75Å; E305-L308 VanDerWaalsContact O-N 3.15Å; L308-A311 PolarHBondContact O-N 3.28Å; L308-R312 WeakPolarHBondContact O-CB 3.39Å; L308-R312 PolarHBondContact O-N 3.04Å |
| 309 | E | 93.1 | Very high | 92.5 | Very high | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.4 | -172.6 | 177.2 | -132.9 | 0 | 0 | 111.7 | E305 A311 R312 T313 | E305-E309 PolarHBondContact O-N 3.45Å; E309-A311 PolarHBondContact O-N 3.14Å; E309-R312 WeakPolarHBondContact O-CB 3.38Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 VanDerWaalsContact O-N 3.15Å; E309-T313 PolarHBondContact O-N 2.92Å; E309-T313 PolarHBondContact O-OG1 3.46Å |
| 310 | R | 88.9 | Confident | 92 | Very high | 159 Ų | 159 | 96.9 Ų | 96.9 | 60% | 0.6 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 175.1 | -71.9 | 171.2 | -170.7 | -170 | 4.3 | 113 | M306 K307 R312 T313 L314 | M306-R310 WeakPolarHBondContact O-CD 3.2Å; M306-R310 WeakPolarHBondContact O-CG 3.48Å; M306-R310 PolarHBondContact O-N 3.47Å; K307-R310 PolarHBondContact O-N 3.08Å; R310-R312 VanDerWaalsContact C-N 3.28Å; R310-R312 PolarHBondContact O-N 3.03Å; R310-T313 PolarHBondContact O-N 3.15Å; R310-T313 PolarHBondContact O-OG1 2.93Å; R310-L314 WeakPolarHBondContact O-CB 3.47Å; R310-L314 WeakPolarHBondContact O-CD1 3.4Å; R310-L314 WeakPolarHBondContact O-CG 3.28Å; R310-L314 PolarHBondContact O-N 3.49Å |
| 311 | A | 90.7 | Very high | 91.3 | Very high | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K307 L308 E309 L315 | K307-A311 WeakPolarHBondContact O-CB 3.48Å; K307-A311 PolarHBondContact O-N 2.86Å; L308-A311 PolarHBondContact O-N 3.28Å; E309-A311 PolarHBondContact O-N 3.14Å; A311-L315 WeakPolarHBondContact O-CB 3.39Å; A311-L315 PolarHBondContact O-N 3.44Å |
| 312 | R | 92.8 | Very high | 90.7 | Very high | 156 Ų | 156 | 92.3 Ų | 92.3 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67 | -47.3 | 174.5 | -179.2 | -178 | 167.7 | -152 | -15.9 | 112.2 | L308 E309 R310 L314 L315 E316 | L308-R312 WeakPolarHBondContact O-CB 3.39Å; L308-R312 PolarHBondContact O-N 3.04Å; E309-R312 WeakPolarHBondContact O-CB 3.38Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 VanDerWaalsContact O-N 3.15Å; R310-R312 VanDerWaalsContact C-N 3.28Å; R310-R312 PolarHBondContact O-N 3.03Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3.08Å; R312-L315 WeakPolarHBondContact O-CB 3.36Å; R312-L315 PolarHBondContact O-N 3.44Å; R312-L315 VanDerWaalsContact O-N 3.14Å; R312-E316 HydrophobicContact CG-CG 4.49Å; R312-E316 IonicContact CZ-OE1 3.31Å; R312-E316 IonicContact NE-OE1 3.65Å; R312-E316 PolarHBondContact NE-OE1 2.89Å; R312-E316 IonicContact NH2-OE1 2.89Å; R312-E316 PolarHBondContact NH2-OE1 2.99Å; R312-E316 IonicContact NH2-OE2 2.71Å; R312-E316 WeakPolarHBondContact O-CG 3.35Å; R312-E316 PolarHBondContact O-N 2.88Å |
| 313 | T | 86.6 | Confident | 90.4 | Very high | 64 Ų | 64 | 92.7 Ų | 92.7 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | E309 R310 A317 | E309-T313 PolarHBondContact O-N 2.92Å; E309-T313 PolarHBondContact O-OG1 3.46Å; R310-T313 PolarHBondContact O-N 3.15Å; R310-T313 PolarHBondContact O-OG1 2.93Å; T313-A317 WeakPolarHBondContact O-CB 3.47Å; T313-A317 PolarHBondContact O-N 3.4Å |
| 314 | L | 86.4 | Confident | 89.8 | Confident | 21 Ų | 21 | 93.7 Ų | 93.7 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 170.8 | -74.6 | 165.8 | 0 | 0 | 0 | 112.6 | L63 E66 L67 R310 R312 R318 | L63-L314 HydrophobicContact CD2-CD2 3.92Å; E66-L314 HydrophobicContact CB-CD2 4.41Å; E66-L314 HydrophobicContact CG-CD2 4.11Å; L67-L314 HydrophobicContact CD2-CB 4.49Å; L67-L314 HydrophobicContact CD2-CD2 4.19Å; L67-L314 HydrophobicContact CG-CD2 4.2Å; R310-L314 WeakPolarHBondContact O-CB 3.47Å; R310-L314 WeakPolarHBondContact O-CD1 3.4Å; R310-L314 WeakPolarHBondContact O-CG 3.28Å; R310-L314 PolarHBondContact O-N 3.49Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3.08Å; L314-R318 VanDerWaalsContact O-CB 3.3Å; L314-R318 WeakPolarHBondContact O-CB 3.37Å; L314-R318 PolarHBondContact O-N 2.99Å |
| 315 | L | 90.4 | Very high | 89.4 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.1 | -174.1 | 71.7 | 0 | 0 | 0 | 111.8 | A311 R312 R318 Q319 | A311-L315 WeakPolarHBondContact O-CB 3.39Å; A311-L315 PolarHBondContact O-N 3.44Å; R312-L315 WeakPolarHBondContact O-CB 3.36Å; R312-L315 PolarHBondContact O-N 3.44Å; R312-L315 VanDerWaalsContact O-N 3.14Å; L315-R318 WeakPolarHBondContact O-CB 3.38Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-Q319 WeakPolarHBondContact O-CG 3.16Å; L315-Q319 PolarHBondContact O-N 3.47Å |
| 316 | E | 88.4 | Confident | 89.3 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.8 | -71.1 | -179.8 | -171.3 | 0 | 0 | 111.3 | R312 R318 Q319 R320 | R312-E316 HydrophobicContact CG-CG 4.49Å; R312-E316 IonicContact CZ-OE1 3.31Å; R312-E316 IonicContact NE-OE1 3.65Å; R312-E316 PolarHBondContact NE-OE1 2.89Å; R312-E316 IonicContact NH2-OE1 2.89Å; R312-E316 PolarHBondContact NH2-OE1 2.99Å; R312-E316 IonicContact NH2-OE2 2.71Å; R312-E316 WeakPolarHBondContact O-CG 3.35Å; R312-E316 PolarHBondContact O-N 2.88Å; E316-R318 PolarHBondContact O-N 3Å; E316-Q319 PolarHBondContact O-N 2.84Å; E316-R320 VanDerWaalsContact O-CG 3.23Å; E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 3.31Å |
| 317 | A | 85.6 | Confident | 89.1 | Confident | 10 Ų | 10 | 97.1 Ų | 97.1 | 8% | 0.083 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L63 L67 T313 R320 L321 | L63-A317 HydrophobicContact CB-CB 4.31Å; L63-A317 HydrophobicContact CD1-CB 4.24Å; L67-A317 HydrophobicContact CD1-CB 4.25Å; T313-A317 WeakPolarHBondContact O-CB 3.47Å; T313-A317 PolarHBondContact O-N 3.4Å; A317-R320 PolarHBondContact O-N 3.01Å; A317-L321 WeakPolarHBondContact O-CG 3.41Å; A317-L321 PolarHBondContact O-N 3.44Å; A317-L321 VanDerWaalsContact O-N 3.15Å |
| 318 | R | 86.3 | Confident | 89.1 | Confident | 125 Ų | 125 | 94.9 Ų | 94.9 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 175.3 | 179.1 | 178.2 | 174.9 | 151.1 | 7 | 112 | L67 L314 L315 E316 R320 L321 E322 | L67-R318 HydrophobicContact CD1-CB 4.06Å; L67-R318 HydrophobicContact CD2-CB 4.21Å; L314-R318 VanDerWaalsContact O-CB 3.3Å; L314-R318 WeakPolarHBondContact O-CB 3.37Å; L314-R318 PolarHBondContact O-N 2.99Å; L315-R318 WeakPolarHBondContact O-CB 3.38Å; L315-R318 PolarHBondContact O-N 3.44Å; E316-R318 PolarHBondContact O-N 3Å; R318-R320 PolarHBondContact O-N 3.15Å; R318-L321 WeakPolarHBondContact O-CB 3.12Å; R318-L321 PolarHBondContact O-N 3.31Å; R318-L321 VanDerWaalsContact O-N 3.08Å; R318-E322 HydrophobicContact CG-CG 4.47Å; R318-E322 IonicContact CZ-OE1 2.78Å; R318-E322 IonicContact NE-OE1 3.23Å; R318-E322 PolarHBondContact NE-OE1 3.37Å; R318-E322 IonicContact NH2-OE1 2.75Å; R318-E322 PolarHBondContact NH2-OE1 2.87Å; R318-E322 WeakPolarHBondContact O-CG 3.37Å; R318-E322 PolarHBondContact O-N 2.89Å |
| 319 | Q | 88.5 | Confident | 89.1 | Confident | 98 Ų | 98 | 94.5 Ų | 94.5 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.4 | -73.8 | 173.1 | -11.4 | 0 | 0 | 111.5 | L315 E316 L321 E322 E323 | L315-Q319 WeakPolarHBondContact O-CG 3.16Å; L315-Q319 PolarHBondContact O-N 3.47Å; E316-Q319 PolarHBondContact O-N 2.84Å; Q319-L321 PolarHBondContact O-N 2.89Å; Q319-E322 PolarHBondContact O-N 3.43Å; Q319-E323 WeakPolarHBondContact O-CB 3.46Å; Q319-E323 WeakPolarHBondContact O-CG 3.46Å; Q319-E323 PolarHBondContact O-N 2.91Å |
| 320 | R | 85.9 | Confident | 89.2 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.3 | -26.9 | 175.4 | -68.5 | 167.3 | -176.4 | -173.8 | 2.8 | 113.4 | E55 E316 A317 R318 R324 | E55-R320 IonicContact OE1-CZ 3.71Å; E55-R320 VanDerWaalsContact OE1-CZ 3.32Å; E55-R320 IonicContact OE1-NH1 3.97Å; E55-R320 PolarHBondContact OE1-NH1 3.39Å; E55-R320 IonicContact OE1-NH2 3.21Å; E55-R320 PolarHBondContact OE1-NH2 3.49Å; E55-R320 IonicContact OE2-CZ 2.77Å; E55-R320 IonicContact OE2-NH1 3.09Å; E55-R320 PolarHBondContact OE2-NH1 2.85Å; E316-R320 VanDerWaalsContact O-CG 3.23Å; E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 3.31Å; A317-R320 PolarHBondContact O-N 3.01Å; R318-R320 PolarHBondContact O-N 3.15Å; R320-R324 WeakPolarHBondContact O-CD 3.37Å; R320-R324 WeakPolarHBondContact O-CG 3.24Å; R320-R324 PolarHBondContact O-N 2.84Å |
| 321 | L | 83 | Confident | 89.4 | Confident | 53 Ų | 53 | 93.7 Ų | 93.7 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.1 | -47 | 173.9 | -66.9 | 165.6 | 0 | 0 | 0 | 111.5 | T64 L67 A317 R318 Q319 E323 R324 E325 | T64-L321 HydrophobicContact CG2-CD1 3.78Å; T64-L321 HydrophobicContact CG2-CD2 3.79Å; T64-L321 HydrophobicContact CG2-CG 4.37Å; L67-L321 HydrophobicContact CD1-CD1 3.76Å; A317-L321 WeakPolarHBondContact O-CG 3.41Å; A317-L321 PolarHBondContact O-N 3.44Å; A317-L321 VanDerWaalsContact O-N 3.15Å; R318-L321 WeakPolarHBondContact O-CB 3.12Å; R318-L321 PolarHBondContact O-N 3.31Å; R318-L321 VanDerWaalsContact O-N 3.08Å; Q319-L321 PolarHBondContact O-N 2.89Å; L321-E323 PolarHBondContact O-N 3.25Å; L321-R324 WeakPolarHBondContact O-CB 3.37Å; L321-R324 PolarHBondContact O-N 2.91Å; L321-E325 WeakPolarHBondContact O-CG 3.41Å; L321-E325 PolarHBondContact O-N 3.42Å |
| 322 | E | 86.5 | Confident | 89.6 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.6 | -33.7 | 177 | -68.6 | 173.1 | 174.2 | 0 | 0 | 111.3 | R318 Q319 R326 | R318-E322 HydrophobicContact CG-CG 4.47Å; R318-E322 IonicContact CZ-OE1 2.78Å; R318-E322 IonicContact NE-OE1 3.23Å; R318-E322 PolarHBondContact NE-OE1 3.37Å; R318-E322 IonicContact NH2-OE1 2.75Å; R318-E322 PolarHBondContact NH2-OE1 2.87Å; R318-E322 WeakPolarHBondContact O-CG 3.37Å; R318-E322 PolarHBondContact O-N 2.89Å; Q319-E322 PolarHBondContact O-N 3.43Å; E322-R326 PolarHBondContact O-N 3.46Å; E322-R326 VanDerWaalsContact O-N 3.1Å |
| 323 | E | 89.3 | Confident | 89.8 | Confident | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 170.9 | -73.9 | -172.3 | 141 | 0 | 0 | 113.7 | Q319 L321 R326 Q327 | Q319-E323 WeakPolarHBondContact O-CB 3.46Å; Q319-E323 WeakPolarHBondContact O-CG 3.46Å; Q319-E323 PolarHBondContact O-N 2.91Å; L321-E323 PolarHBondContact O-N 3.25Å; E323-R326 PolarHBondContact O-N 3.46Å; E323-Q327 WeakPolarHBondContact O-CG 3.5Å; E323-Q327 PolarHBondContact O-N 3.26Å |
| 324 | R | 84.9 | Confident | 90.2 | Very high | 117 Ų | 117 | 91.9 Ų | 91.9 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 175.9 | -74.5 | 168.5 | -178 | -158.5 | -0.6 | 111.5 | R320 L321 R326 Q327 V328 | R320-R324 WeakPolarHBondContact O-CD 3.37Å; R320-R324 WeakPolarHBondContact O-CG 3.24Å; R320-R324 PolarHBondContact O-N 2.84Å; L321-R324 WeakPolarHBondContact O-CB 3.37Å; L321-R324 PolarHBondContact O-N 2.91Å; R324-R326 VanDerWaalsContact C-N 3.31Å; R324-R326 PolarHBondContact O-N 3.37Å; R324-Q327 PolarHBondContact O-N 3.41Å; R324-V328 WeakPolarHBondContact O-CG2 3.22Å; R324-V328 PolarHBondContact O-N 3.36Å |
| 325 | E | 87.3 | Confident | 90.6 | Very high | 130 Ų | 130 | 95.3 Ų | 95.3 | 61% | 0.607 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.7 | -43.5 | 173.7 | -72.5 | -179 | 177.6 | 0 | 0 | 110.7 | L321 V328 L329 | L321-E325 WeakPolarHBondContact O-CG 3.41Å; L321-E325 PolarHBondContact O-N 3.42Å; E325-V328 PolarHBondContact O-N 2.89Å; E325-L329 WeakPolarHBondContact O-CG 3.44Å; E325-L329 PolarHBondContact O-N 2.74Å |
| 326 | R | 93.1 | Very high | 90.9 | Very high | 147 Ų | 147 | 96.8 Ų | 96.8 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 173.1 | -173.3 | -174.2 | 66.3 | -160.9 | -9.8 | 112.6 | E322 E323 R324 V328 L329 E330 | E322-R326 PolarHBondContact O-N 3.46Å; E322-R326 VanDerWaalsContact O-N 3.1Å; E323-R326 PolarHBondContact O-N 3.46Å; R324-R326 VanDerWaalsContact C-N 3.31Å; R324-R326 PolarHBondContact O-N 3.37Å; R326-V328 VanDerWaalsContact C-N 3.35Å; R326-V328 PolarHBondContact O-N 3.27Å; R326-L329 PolarHBondContact O-N 2.72Å; R326-E330 WeakPolarHBondContact O-CB 3.42Å; R326-E330 PolarHBondContact O-N 2.91Å |
| 327 | Q | 91.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.7 | -74.6 | 169.3 | -10.6 | 0 | 0 | 112.3 | E323 R324 E330 Q331 | E323-Q327 WeakPolarHBondContact O-CG 3.5Å; E323-Q327 PolarHBondContact O-N 3.26Å; R324-Q327 PolarHBondContact O-N 3.41Å; Q327-E330 PolarHBondContact O-N 2.96Å; Q327-Q331 WeakPolarHBondContact O-CG 3.23Å; Q327-Q331 PolarHBondContact O-N 3.11Å |
| 328 | V | 95.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 104.3 Ų | 104.3 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | R324 E325 R326 E330 Q331 L332 | R324-V328 WeakPolarHBondContact O-CG2 3.22Å; R324-V328 PolarHBondContact O-N 3.36Å; E325-V328 PolarHBondContact O-N 2.89Å; R326-V328 VanDerWaalsContact C-N 3.35Å; R326-V328 PolarHBondContact O-N 3.27Å; V328-E330 PolarHBondContact O-N 2.88Å; V328-Q331 PolarHBondContact O-N 3.15Å; V328-L332 HydrophobicContact CG1-CD1 3.96Å; V328-L332 HydrophobicContact CG1-CG 4.48Å; V328-L332 WeakPolarHBondContact O-CB 3.28Å; V328-L332 VanDerWaalsContact O-CG 3.3Å; V328-L332 WeakPolarHBondContact O-CG 3.48Å; V328-L332 PolarHBondContact O-N 2.93Å |
| 329 | L | 95.3 | Very high | 92.2 | Very high | 119 Ų | 119 | 102.9 Ų | 102.9 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 175.9 | -69.8 | 170.4 | 0 | 0 | 0 | 112.5 | E325 R326 L332 A333 | E325-L329 WeakPolarHBondContact O-CG 3.44Å; E325-L329 PolarHBondContact O-N 2.74Å; R326-L329 PolarHBondContact O-N 2.72Å; L329-L332 PolarHBondContact O-N 3.43Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 3.43Å |
| 330 | E | 95.3 | Very high | 92.5 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 175.3 | -175 | 172.6 | -168.6 | 0 | 0 | 111.8 | R326 Q327 V328 A333 L334 | R326-E330 WeakPolarHBondContact O-CB 3.42Å; R326-E330 PolarHBondContact O-N 2.91Å; Q327-E330 PolarHBondContact O-N 2.96Å; V328-E330 PolarHBondContact O-N 2.88Å; E330-A333 PolarHBondContact O-N 2.92Å; E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.01Å; E330-L334 VanDerWaalsContact O-N 3.1Å |
| 331 | Q | 93.8 | Very high | 93 | Very high | 137 Ų | 137 | 106.5 Ų | 106.5 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 174.6 | -73.8 | 177.8 | -0.6 | 0 | 0 | 112.5 | Q327 V328 L334 E335 | Q327-Q331 WeakPolarHBondContact O-CG 3.23Å; Q327-Q331 PolarHBondContact O-N 3.11Å; V328-Q331 PolarHBondContact O-N 3.15Å; Q331-L334 PolarHBondContact O-N 3.14Å; Q331-E335 PolarHBondContact O-N 2.87Å |
| 332 | L | 94.8 | Very high | 93.6 | Very high | 82 Ų | 82 | 106.2 Ų | 106.2 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.3 | -72.9 | 169.1 | 0 | 0 | 0 | 111.9 | V328 L329 L334 E335 E336 | V328-L332 HydrophobicContact CG1-CD1 3.96Å; V328-L332 HydrophobicContact CG1-CG 4.48Å; V328-L332 WeakPolarHBondContact O-CB 3.28Å; V328-L332 VanDerWaalsContact O-CG 3.3Å; V328-L332 WeakPolarHBondContact O-CG 3.48Å; V328-L332 PolarHBondContact O-N 2.93Å; L329-L332 PolarHBondContact O-N 3.43Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L332-L334 PolarHBondContact O-N 3.42Å; L332-E335 PolarHBondContact O-N 3.4Å; L332-E336 WeakPolarHBondContact O-CG 3.1Å; L332-E336 PolarHBondContact O-N 3.3Å |
| 333 | A | 97.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L329 E330 E336 E337 | L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 3.43Å; E330-A333 PolarHBondContact O-N 2.92Å; A333-E336 PolarHBondContact O-N 3.43Å; A333-E337 PolarHBondContact O-N 2.89Å |
| 334 | L | 96.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 173.1 | -69.3 | 169.9 | 0 | 0 | 0 | 111.8 | E330 Q331 L332 E336 E337 E338 | E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.01Å; E330-L334 VanDerWaalsContact O-N 3.1Å; Q331-L334 PolarHBondContact O-N 3.14Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L332-L334 PolarHBondContact O-N 3.42Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.32Å; L334-E337 PolarHBondContact O-N 3.23Å; L334-E338 PolarHBondContact O-N 2.91Å |
| 335 | E | 94.8 | Very high | 94.9 | Very high | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 176.6 | -151.7 | -147.6 | 155.2 | 0 | 0 | 111.9 | Q331 L332 K339 | Q331-E335 PolarHBondContact O-N 2.87Å; L332-E335 PolarHBondContact O-N 3.4Å; E335-K339 WeakPolarHBondContact O-CB 3.43Å; E335-K339 VanDerWaalsContact O-CD 3.28Å; E335-K339 WeakPolarHBondContact O-CD 3.43Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.41Å; E335-K339 WeakPolarHBondContact OE1-CE 3.04Å; E335-K339 IonicContact OE1-NZ 2.75Å; E335-K339 PolarHBondContact OE1-NZ 3.1Å; E335-K339 IonicContact OE2-NZ 3.22Å; E335-K339 PolarHBondContact OE2-NZ 2.95Å |
| 336 | E | 95.3 | Very high | 95.3 | Very high | 126 Ų | 126 | 106.7 Ų | 106.7 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 171.3 | -74 | -176 | 166.1 | 0 | 0 | 112.2 | L332 A333 L334 E338 K339 E340 | L332-E336 WeakPolarHBondContact O-CG 3.1Å; L332-E336 PolarHBondContact O-N 3.3Å; A333-E336 PolarHBondContact O-N 3.43Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.32Å; E336-E338 VanDerWaalsContact C-N 3.35Å; E336-E338 PolarHBondContact O-N 2.9Å; E336-K339 WeakPolarHBondContact O-CB 3.42Å; E336-K339 PolarHBondContact O-N 3.37Å; E336-E340 PolarHBondContact O-N 2.89Å |
| 337 | E | 95.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.5 | -148.7 | -150.8 | 155.3 | 0 | 0 | 112 | A333 L334 E340 R341 | A333-E337 PolarHBondContact O-N 2.89Å; L334-E337 PolarHBondContact O-N 3.23Å; E337-E340 PolarHBondContact O-N 2.78Å; E337-R341 VanDerWaalsContact CD-NE 3.27Å; E337-R341 WeakPolarHBondContact O-CB 3.46Å; E337-R341 WeakPolarHBondContact O-CD 3.41Å; E337-R341 WeakPolarHBondContact O-CG 3.46Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 2.72Å; E337-R341 IonicContact OE1-NE 2.67Å; E337-R341 PolarHBondContact OE1-NE 3Å; E337-R341 IonicContact OE1-NH2 3.1Å; E337-R341 PolarHBondContact OE1-NH2 3.44Å; E337-R341 IonicContact OE2-CZ 2.95Å; E337-R341 IonicContact OE2-NE 3.13Å; E337-R341 IonicContact OE2-NH2 3.61Å; E337-R341 PolarHBondContact OE2-NH2 3.45Å; E337-R341 VanDerWaalsContact OE2-NH2 3.13Å |
| 338 | E | 96.3 | Very high | 95.6 | Very high | 137 Ų | 137 | 109.1 Ų | 109.1 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -40.1 | 173.8 | -72.5 | -155.8 | 151.1 | 0 | 0 | 112.4 | L334 E336 R341 A342 | L334-E338 PolarHBondContact O-N 2.91Å; E336-E338 VanDerWaalsContact C-N 3.35Å; E336-E338 PolarHBondContact O-N 2.9Å; E338-R341 PolarHBondContact O-N 2.71Å; E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.31Å; E338-A342 PolarHBondContact O-N 2.82Å |
| 339 | K | 95.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 110.8 Ų | 110.8 | 41% | 0.409 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 172.7 | -72.2 | 158.6 | -166.8 | 159 | 0 | 111.1 | E335 E336 A342 I343 | E335-K339 WeakPolarHBondContact O-CB 3.43Å; E335-K339 VanDerWaalsContact O-CD 3.28Å; E335-K339 WeakPolarHBondContact O-CD 3.43Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.41Å; E335-K339 WeakPolarHBondContact OE1-CE 3.04Å; E335-K339 IonicContact OE1-NZ 2.75Å; E335-K339 PolarHBondContact OE1-NZ 3.1Å; E335-K339 IonicContact OE2-NZ 3.22Å; E335-K339 PolarHBondContact OE2-NZ 2.95Å; E336-K339 WeakPolarHBondContact O-CB 3.42Å; E336-K339 PolarHBondContact O-N 3.37Å; K339-A342 PolarHBondContact O-N 3.2Å; K339-I343 WeakPolarHBondContact O-CD1 3.28Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.36Å; K339-I343 PolarHBondContact O-N 3.35Å |
| 340 | E | 95.8 | Very high | 95.6 | Very high | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 175.7 | -72.9 | -152.1 | 159.9 | 0 | 0 | 112.2 | E336 E337 A342 I343 Q344 | E336-E340 PolarHBondContact O-N 2.89Å; E337-E340 PolarHBondContact O-N 2.78Å; E340-A342 VanDerWaalsContact C-N 3.27Å; E340-A342 PolarHBondContact O-N 2.89Å; E340-I343 PolarHBondContact O-N 3.14Å; E340-I343 VanDerWaalsContact O-N 3.15Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.49Å |
| 341 | R | 95.9 | Very high | 95.5 | Very high | 148 Ų | 148 | 111.4 Ų | 111.4 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.5 | -40.4 | 176.6 | -72.5 | 167.3 | 174.4 | -153.8 | 8.5 | 111.3 | E337 E338 L345 | E337-R341 VanDerWaalsContact CD-NE 3.27Å; E337-R341 WeakPolarHBondContact O-CB 3.46Å; E337-R341 WeakPolarHBondContact O-CD 3.41Å; E337-R341 WeakPolarHBondContact O-CG 3.46Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 2.72Å; E337-R341 IonicContact OE1-NE 2.67Å; E337-R341 PolarHBondContact OE1-NE 3Å; E337-R341 IonicContact OE1-NH2 3.1Å; E337-R341 PolarHBondContact OE1-NH2 3.44Å; E337-R341 IonicContact OE2-CZ 2.95Å; E337-R341 IonicContact OE2-NE 3.13Å; E337-R341 IonicContact OE2-NH2 3.61Å; E337-R341 PolarHBondContact OE2-NH2 3.45Å; E337-R341 VanDerWaalsContact OE2-NH2 3.13Å; E338-R341 PolarHBondContact O-N 2.71Å; R341-L345 WeakPolarHBondContact O-CB 3.31Å; R341-L345 PolarHBondContact O-N 3.39Å |
| 342 | A | 96.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 110.4 Ų | 110.4 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E338 K339 E340 L345 Q346 | E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.31Å; E338-A342 PolarHBondContact O-N 2.82Å; K339-A342 PolarHBondContact O-N 3.2Å; E340-A342 VanDerWaalsContact C-N 3.27Å; E340-A342 PolarHBondContact O-N 2.89Å; A342-L345 PolarHBondContact O-N 3.36Å; A342-Q346 WeakPolarHBondContact O-CG 3.37Å; A342-Q346 PolarHBondContact O-N 3.15Å |
| 343 | I | 96.9 | Very high | 95.6 | Very high | 113 Ų | 113 | 113.9 Ų | 113.9 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 175.4 | -70.6 | 163.3 | 0 | 0 | 0 | 110.7 | K339 E340 L345 Q346 K347 | K339-I343 WeakPolarHBondContact O-CD1 3.28Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.36Å; K339-I343 PolarHBondContact O-N 3.35Å; E340-I343 PolarHBondContact O-N 3.14Å; E340-I343 VanDerWaalsContact O-N 3.15Å; I343-L345 VanDerWaalsContact C-N 3.33Å; I343-L345 PolarHBondContact O-N 3.02Å; I343-Q346 PolarHBondContact O-N 2.97Å; I343-K347 WeakPolarHBondContact O-CB 3.4Å; I343-K347 PolarHBondContact O-N 2.99Å |
| 344 | Q | 95.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 115.8 Ų | 115.8 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -42 | 175 | -69.9 | -173.7 | 38.6 | 0 | 0 | 111.8 | E340 K347 R348 | E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.49Å; Q344-K347 PolarHBondContact O-N 2.79Å; Q344-R348 WeakPolarHBondContact O-CG 3.47Å; Q344-R348 PolarHBondContact O-N 3.25Å |
| 345 | L | 95.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 119.7 Ų | 119.7 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 176.8 | -177 | 60.8 | 0 | 0 | 0 | 112.3 | R341 A342 I343 K349 | R341-L345 WeakPolarHBondContact O-CB 3.31Å; R341-L345 PolarHBondContact O-N 3.39Å; A342-L345 PolarHBondContact O-N 3.36Å; I343-L345 VanDerWaalsContact C-N 3.33Å; I343-L345 PolarHBondContact O-N 3.02Å; L345-K349 HydrophobicContact CD1-CD 4.47Å; L345-K349 HydrophobicContact CG-CD 4.24Å; L345-K349 WeakPolarHBondContact O-CB 3.41Å; L345-K349 VanDerWaalsContact O-CG 3.29Å; L345-K349 WeakPolarHBondContact O-CG 3.48Å; L345-K349 PolarHBondContact O-N 3.25Å |
| 346 | Q | 94.6 | Very high | 95 | Very high | 144 Ų | 144 | 118.6 Ų | 118.6 | 67% | 0.673 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 172.9 | -73.6 | -164.4 | 30.9 | 0 | 0 | 111.7 | A342 I343 K349 R350 | A342-Q346 WeakPolarHBondContact O-CG 3.37Å; A342-Q346 PolarHBondContact O-N 3.15Å; I343-Q346 PolarHBondContact O-N 2.97Å; Q346-K349 PolarHBondContact O-N 2.87Å; Q346-R350 WeakPolarHBondContact O-CB 3.29Å; Q346-R350 PolarHBondContact O-N 2.92Å |
| 347 | K | 95.9 | Very high | 94.8 | Very high | 132 Ų | 132 | 116.4 Ų | 116.4 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -50.5 | 175.7 | 179.9 | 173.5 | 173 | 178.3 | 0 | 111.5 | I343 Q344 K349 R350 E351 | I343-K347 WeakPolarHBondContact O-CB 3.4Å; I343-K347 PolarHBondContact O-N 2.99Å; Q344-K347 PolarHBondContact O-N 2.79Å; K347-K349 PolarHBondContact O-N 3.4Å; K347-R350 WeakPolarHBondContact O-CB 3.35Å; K347-R350 PolarHBondContact O-N 3.22Å; K347-E351 WeakPolarHBondContact CE-OE1 3.49Å; K347-E351 WeakPolarHBondContact CG-OE1 3.41Å; K347-E351 WeakPolarHBondContact O-CG 3.39Å; K347-E351 PolarHBondContact O-N 3.17Å |
| 348 | R | 95.4 | Very high | 94.7 | Very high | 166 Ų | 166 | 115.5 Ų | 115.5 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -45.2 | 175.4 | -69.3 | -179.9 | -169.6 | -171.4 | 6.6 | 112.2 | Q344 R350 E351 E352 | Q344-R348 WeakPolarHBondContact O-CG 3.47Å; Q344-R348 PolarHBondContact O-N 3.25Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 2.95Å; R348-E351 PolarHBondContact O-N 3.39Å; R348-E352 WeakPolarHBondContact O-CB 3.32Å; R348-E352 PolarHBondContact O-N 3.03Å |
| 349 | K | 95.3 | Very high | 94.4 | Very high | 114 Ų | 114 | 114.6 Ų | 114.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -28.6 | 176.1 | -75.6 | 172.4 | 177.9 | 174.3 | 0 | 113.1 | L345 Q346 K347 K353 | L345-K349 HydrophobicContact CD1-CD 4.47Å; L345-K349 HydrophobicContact CG-CD 4.24Å; L345-K349 WeakPolarHBondContact O-CB 3.41Å; L345-K349 VanDerWaalsContact O-CG 3.29Å; L345-K349 WeakPolarHBondContact O-CG 3.48Å; L345-K349 PolarHBondContact O-N 3.25Å; Q346-K349 PolarHBondContact O-N 2.87Å; K347-K349 PolarHBondContact O-N 3.4Å; K349-K353 WeakPolarHBondContact O-CD 3.23Å; K349-K353 VanDerWaalsContact O-CG 3.24Å; K349-K353 WeakPolarHBondContact O-CG 3.44Å; K349-K353 PolarHBondContact O-N 3.07Å |
| 350 | R | 95.1 | Very high | 93.9 | Very high | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.7 | -49.8 | 174.1 | 179.5 | 176 | 174 | 167.8 | -0.4 | 111.4 | Q346 K347 R348 E352 K353 E354 | Q346-R350 WeakPolarHBondContact O-CB 3.29Å; Q346-R350 PolarHBondContact O-N 2.92Å; K347-R350 WeakPolarHBondContact O-CB 3.35Å; K347-R350 PolarHBondContact O-N 3.22Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 2.95Å; R350-E352 VanDerWaalsContact C-N 3.26Å; R350-E352 PolarHBondContact O-N 2.83Å; R350-K353 WeakPolarHBondContact O-CB 3.45Å; R350-K353 PolarHBondContact O-N 3.42Å; R350-K353 VanDerWaalsContact O-N 3.12Å; R350-E354 HydrophobicContact CG-CG 4.5Å; R350-E354 WeakPolarHBondContact CG-OE1 3.28Å; R350-E354 IonicContact CZ-OE1 2.71Å; R350-E354 IonicContact NE-OE1 3.45Å; R350-E354 PolarHBondContact NE-OE1 3.35Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 PolarHBondContact NH2-OE1 2.85Å; R350-E354 WeakPolarHBondContact O-CG 3.42Å; R350-E354 PolarHBondContact O-N 3.03Å |
| 351 | E | 95.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 113.6 Ų | 113.6 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 176.9 | -69.9 | 169.5 | -178.2 | 0 | 0 | 111.9 | K347 R348 R355 | K347-E351 WeakPolarHBondContact CE-OE1 3.49Å; K347-E351 WeakPolarHBondContact CG-OE1 3.41Å; K347-E351 WeakPolarHBondContact O-CG 3.39Å; K347-E351 PolarHBondContact O-N 3.17Å; R348-E351 PolarHBondContact O-N 3.39Å; E351-R355 VanDerWaalsContact O-CB 3.24Å; E351-R355 WeakPolarHBondContact O-CB 3.3Å; E351-R355 PolarHBondContact O-N 3.07Å |
| 352 | E | 94.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 174.2 | -172.1 | -175 | -179.1 | 0 | 0 | 112.2 | R348 R350 E354 R355 N356 | R348-E352 WeakPolarHBondContact O-CB 3.32Å; R348-E352 PolarHBondContact O-N 3.03Å; R350-E352 VanDerWaalsContact C-N 3.26Å; R350-E352 PolarHBondContact O-N 2.83Å; E352-E354 VanDerWaalsContact C-N 3.35Å; E352-E354 PolarHBondContact O-N 2.99Å; E352-R355 PolarHBondContact O-N 3.42Å; E352-N356 WeakPolarHBondContact O-CB 3.4Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 3.06Å |
| 353 | K | 94.1 | Very high | 93 | Very high | 156 Ų | 156 | 109.1 Ų | 109.1 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175 | -77 | 171.6 | -179.3 | -176.8 | 0 | 111.6 | K349 R350 N356 N357 | K349-K353 WeakPolarHBondContact O-CD 3.23Å; K349-K353 VanDerWaalsContact O-CG 3.24Å; K349-K353 WeakPolarHBondContact O-CG 3.44Å; K349-K353 PolarHBondContact O-N 3.07Å; R350-K353 WeakPolarHBondContact O-CB 3.45Å; R350-K353 PolarHBondContact O-N 3.42Å; R350-K353 VanDerWaalsContact O-N 3.12Å; K353-N356 PolarHBondContact O-N 2.95Å; K353-N357 VanDerWaalsContact O-CB 3.25Å; K353-N357 WeakPolarHBondContact O-CB 3.35Å; K353-N357 PolarHBondContact O-N 3.27Å |
| 354 | E | 93.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 105.6 Ų | 105.6 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.1 | -71.4 | 172.2 | -178.2 | 0 | 0 | 111.1 | R350 E352 N357 E358 | R350-E354 HydrophobicContact CG-CG 4.5Å; R350-E354 WeakPolarHBondContact CG-OE1 3.28Å; R350-E354 IonicContact CZ-OE1 2.71Å; R350-E354 IonicContact NE-OE1 3.45Å; R350-E354 PolarHBondContact NE-OE1 3.35Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 PolarHBondContact NH2-OE1 2.85Å; R350-E354 WeakPolarHBondContact O-CG 3.42Å; R350-E354 PolarHBondContact O-N 3.03Å; E352-E354 VanDerWaalsContact C-N 3.35Å; E352-E354 PolarHBondContact O-N 2.99Å; E354-N357 PolarHBondContact O-N 3.46Å; E354-E358 PolarHBondContact O-N 3.23Å |
| 355 | R | 93.7 | Very high | 92.3 | Very high | 183 Ų | 183 | 107.4 Ų | 107.4 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 173.9 | -170.6 | -174.7 | -56.8 | -142.7 | 2.1 | 112.8 | E351 E352 K359 | E351-R355 VanDerWaalsContact O-CB 3.24Å; E351-R355 WeakPolarHBondContact O-CB 3.3Å; E351-R355 PolarHBondContact O-N 3.07Å; E352-R355 PolarHBondContact O-N 3.42Å; R355-K359 VanDerWaalsContact O-CB 3.26Å; R355-K359 WeakPolarHBondContact O-CB 3.35Å; R355-K359 PolarHBondContact O-N 3.14Å |
| 356 | N | 89.6 | Confident | 92.1 | Very high | 72 Ų | 72 | 107.8 Ų | 107.8 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -35 | 178 | -78.4 | -33.8 | 0 | 0 | 0 | 112 | E352 K353 W360 | E352-N356 WeakPolarHBondContact O-CB 3.4Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 3.06Å; K353-N356 PolarHBondContact O-N 2.95Å; N356-W360 PolarHBondContact O-N 3.35Å |
| 357 | N | 91.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 101 Ų | 101 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 172 | -176 | 4.6 | 0 | 0 | 0 | 111.4 | K353 E354 K359 W360 K361 | K353-N357 VanDerWaalsContact O-CB 3.25Å; K353-N357 WeakPolarHBondContact O-CB 3.35Å; K353-N357 PolarHBondContact O-N 3.27Å; E354-N357 PolarHBondContact O-N 3.46Å; N357-K359 VanDerWaalsContact C-N 3.31Å; N357-K359 PolarHBondContact O-N 2.89Å; N357-W360 WeakPolarHBondContact O-CB 3.19Å; N357-W360 PolarHBondContact O-N 2.89Å; N357-W360 VanDerWaalsContact O-N 3.11Å; N357-K361 WeakPolarHBondContact O-CG 3.39Å; N357-K361 PolarHBondContact O-N 2.68Å; N357-K361 WeakPolarHBondContact OD1-CE 3.49Å |
| 358 | E | 92.3 | Very high | 91.6 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 33% | 0.327 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -34 | 179.2 | -159.2 | 60.1 | -146.2 | 0 | 0 | 112.4 | E354 K361 N362 R365 | E354-E358 PolarHBondContact O-N 3.23Å; E358-K361 PolarHBondContact O-N 3.06Å; E358-K361 WeakPolarHBondContact OE2-CD 3.48Å; E358-K361 WeakPolarHBondContact OE2-CE 3.49Å; E358-K361 IonicContact OE2-NZ 3.46Å; E358-K361 PolarHBondContact OE2-NZ 3.21Å; E358-N362 WeakPolarHBondContact O-CB 3.3Å; E358-N362 PolarHBondContact O-N 3.37Å; E358-N362 PolarHBondContact O-ND2 2.9Å; E358-R365 IonicContact OE1-CZ 3.01Å; E358-R365 IonicContact OE1-NH1 3.55Å; E358-R365 PolarHBondContact OE1-NH1 3.31Å; E358-R365 IonicContact OE1-NH2 3.07Å; E358-R365 PolarHBondContact OE1-NH2 3.14Å |
| 359 | K | 89 | Confident | 91.5 | Very high | 119 Ų | 119 | 97.5 Ų | 97.5 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 170.9 | -175.2 | -176.4 | -177.1 | -176.5 | 0 | 112.3 | R355 N357 S363 | R355-K359 VanDerWaalsContact O-CB 3.26Å; R355-K359 WeakPolarHBondContact O-CB 3.35Å; R355-K359 PolarHBondContact O-N 3.14Å; N357-K359 VanDerWaalsContact C-N 3.31Å; N357-K359 PolarHBondContact O-N 2.89Å; K359-S363 PolarHBondContact O-N 3.22Å; K359-S363 VanDerWaalsContact O-N 3.13Å |
| 360 | W | 87.4 | Confident | 91.2 | Very high | 122 Ų | 122 | 92.5 Ų | 92.5 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 172.3 | 175.6 | 90.2 | 0 | 0 | 0 | 111.4 | N356 N357 N362 S363 A364 | N356-W360 PolarHBondContact O-N 3.35Å; N357-W360 WeakPolarHBondContact O-CB 3.19Å; N357-W360 PolarHBondContact O-N 2.89Å; N357-W360 VanDerWaalsContact O-N 3.11Å; W360-N362 VanDerWaalsContact C-N 3.3Å; W360-N362 PolarHBondContact O-N 2.96Å; W360-S363 WeakPolarHBondContact O-CA 3.48Å; W360-S363 WeakPolarHBondContact O-CB 3.22Å; W360-S363 PolarHBondContact O-N 3.45Å; W360-A364 PolarHBondContact O-N 3.26Å |
| 361 | K | 89.8 | Confident | 90.9 | Very high | 72 Ų | 72 | 87.4 Ų | 87.4 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.7 | -43.6 | 176.6 | -67.1 | -178.9 | -142.7 | 159.5 | 0 | 112 | N357 E358 A364 R365 | N357-K361 WeakPolarHBondContact O-CG 3.39Å; N357-K361 PolarHBondContact O-N 2.68Å; N357-K361 WeakPolarHBondContact OD1-CE 3.49Å; E358-K361 PolarHBondContact O-N 3.06Å; E358-K361 WeakPolarHBondContact OE2-CD 3.48Å; E358-K361 WeakPolarHBondContact OE2-CE 3.49Å; E358-K361 IonicContact OE2-NZ 3.46Å; E358-K361 PolarHBondContact OE2-NZ 3.21Å; K361-A364 PolarHBondContact O-N 3.43Å; K361-R365 WeakPolarHBondContact O-CG 3.37Å; K361-R365 PolarHBondContact O-N 2.97Å |
| 362 | N | 90.6 | Very high | 90.6 | Very high | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177.4 | -76.9 | -25 | 0 | 0 | 0 | 112.3 | E358 W360 A364 R365 F366 | E358-N362 WeakPolarHBondContact O-CB 3.3Å; E358-N362 PolarHBondContact O-N 3.37Å; E358-N362 PolarHBondContact O-ND2 2.9Å; W360-N362 VanDerWaalsContact C-N 3.3Å; W360-N362 PolarHBondContact O-N 2.96Å; N362-A364 VanDerWaalsContact C-N 3.33Å; N362-A364 PolarHBondContact O-N 3.41Å; N362-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact OD1-NH1 2.98Å; N362-F366 WeakPolarHBondContact O-CB 3.27Å; N362-F366 PolarHBondContact O-N 3.36Å |
| 363 | S | 87.1 | Confident | 90.4 | Very high | 21 Ų | 21 | 84.5 Ų | 84.5 | 15% | 0.147 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 172.3 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | K359 W360 V367 | K359-S363 PolarHBondContact O-N 3.22Å; K359-S363 VanDerWaalsContact O-N 3.13Å; W360-S363 WeakPolarHBondContact O-CA 3.48Å; W360-S363 WeakPolarHBondContact O-CB 3.22Å; W360-S363 PolarHBondContact O-N 3.45Å; S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 2.86Å |
| 364 | A | 87.9 | Confident | 90 | Very high | 38 Ų | 38 | 77 Ų | 77 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W360 K361 N362 F366 V367 K368 | W360-A364 PolarHBondContact O-N 3.26Å; K361-A364 PolarHBondContact O-N 3.43Å; N362-A364 VanDerWaalsContact C-N 3.33Å; N362-A364 PolarHBondContact O-N 3.41Å; A364-F366 VanDerWaalsContact C-N 3.32Å; A364-F366 PolarHBondContact O-N 3.35Å; A364-V367 PolarHBondContact O-N 3.38Å; A364-K368 WeakPolarHBondContact O-CB 3.47Å; A364-K368 PolarHBondContact O-N 3.47Å |
| 365 | R | 90.4 | Very high | 89.7 | Confident | 138 Ų | 138 | 77.1 Ų | 77.1 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 171.6 | -73.3 | 171.9 | -179 | 136.8 | -0.2 | 111 | E358 K361 N362 K368 A369 | E358-R365 IonicContact OE1-CZ 3.01Å; E358-R365 IonicContact OE1-NH1 3.55Å; E358-R365 PolarHBondContact OE1-NH1 3.31Å; E358-R365 IonicContact OE1-NH2 3.07Å; E358-R365 PolarHBondContact OE1-NH2 3.14Å; K361-R365 WeakPolarHBondContact O-CG 3.37Å; K361-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact OD1-NH1 2.98Å; R365-K368 PolarHBondContact O-N 3.25Å; R365-A369 PolarHBondContact O-N 2.89Å |
| 366 | F | 90.8 | Very high | 89.3 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 179.2 | -179.5 | -114.7 | 0 | 0 | 0 | 112.8 | N362 A364 K368 A369 L370 A417 | N362-F366 WeakPolarHBondContact O-CB 3.27Å; N362-F366 PolarHBondContact O-N 3.36Å; A364-F366 VanDerWaalsContact C-N 3.32Å; A364-F366 PolarHBondContact O-N 3.35Å; F366-K368 VanDerWaalsContact C-N 3.31Å; F366-K368 PolarHBondContact O-N 3.13Å; F366-A369 PolarHBondContact O-N 3.14Å; F366-L370 HydrophobicContact CD1-CD1 4.02Å; F366-L370 HydrophobicContact CE1-CD1 3.55Å; F366-L370 HydrophobicContact CE1-CG 4.45Å; F366-L370 HydrophobicContact CE2-CD1 4.24Å; F366-L370 HydrophobicContact CE2-CG 4.31Å; F366-L370 HydrophobicContact CZ-CD1 3.67Å; F366-L370 HydrophobicContact CZ-CG 4.21Å; F366-L370 PolarHBondContact O-N 2.94Å; F366-A417 HydrophobicContact CD1-CB 4.1Å; F366-A417 HydrophobicContact CE1-CB 3.94Å |
| 367 | V | 90.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 173.1 | 163.9 | 0 | 0 | 0 | 0 | 111.3 | S363 A364 A369 L370 R371 P413 Y416 A417 | S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 2.86Å; A364-V367 PolarHBondContact O-N 3.38Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 2.79Å; V367-L370 PolarHBondContact O-N 2.84Å; V367-R371 WeakPolarHBondContact O-CB 3.4Å; V367-R371 PolarHBondContact O-N 3.42Å; V367-P413 HydrophobicContact CG2-CB 3.9Å; V367-P413 VanDerWaalsContact CG2-O 3.32Å; V367-P413 WeakPolarHBondContact CG2-O 3.26Å; V367-Y416 HydrophobicContact CG1-CD1 3.62Å; V367-Y416 HydrophobicContact CG1-CE1 3.72Å; V367-Y416 HydrophobicContact CG2-CD1 4.35Å; V367-A417 HydrophobicContact CG2-CB 3.93Å |
| 368 | K | 90.9 | Very high | 88.6 | Confident | 165 Ų | 165 | 72 Ų | 72 | 72% | 0.717 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 178.8 | -172.9 | 177.2 | 179 | -179.2 | 0 | 112.2 | A364 R365 F366 A372 | A364-K368 WeakPolarHBondContact O-CB 3.47Å; A364-K368 PolarHBondContact O-N 3.47Å; R365-K368 PolarHBondContact O-N 3.25Å; F366-K368 VanDerWaalsContact C-N 3.31Å; F366-K368 PolarHBondContact O-N 3.13Å; K368-A372 PolarHBondContact O-N 3.06Å; K368-A372 VanDerWaalsContact O-N 3.1Å |
| 369 | A | 91.9 | Very high | 88.1 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -51 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R365 F366 V367 R371 A372 Q373 | R365-A369 PolarHBondContact O-N 2.89Å; F366-A369 PolarHBondContact O-N 3.14Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 2.79Å; A369-R371 VanDerWaalsContact C-N 3.29Å; A369-R371 PolarHBondContact O-N 3.35Å; A369-A372 WeakPolarHBondContact O-CB 3.32Å; A369-A372 PolarHBondContact O-N 3.22Å; A369-Q373 PolarHBondContact O-N 3.31Å |
| 370 | L | 89.1 | Confident | 87.7 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.7 | -44.5 | 175.1 | -74.5 | 172 | 0 | 0 | 0 | 111.9 | F366 V367 A372 Q373 M374 A417 L420 Q421 L424 | F366-L370 HydrophobicContact CD1-CD1 4.02Å; F366-L370 HydrophobicContact CE1-CD1 3.55Å; F366-L370 HydrophobicContact CE1-CG 4.45Å; F366-L370 HydrophobicContact CE2-CD1 4.24Å; F366-L370 HydrophobicContact CE2-CG 4.31Å; F366-L370 HydrophobicContact CZ-CD1 3.67Å; F366-L370 HydrophobicContact CZ-CG 4.21Å; F366-L370 PolarHBondContact O-N 2.94Å; V367-L370 PolarHBondContact O-N 2.84Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 2.98Å; L370-Q373 PolarHBondContact O-N 2.86Å; L370-M374 WeakPolarHBondContact O-CG 3.33Å; L370-M374 PolarHBondContact O-N 3.49Å; L370-A417 HydrophobicContact CD1-CB 3.96Å; L370-L420 HydrophobicContact CB-CB 4.45Å; L370-L420 HydrophobicContact CB-CD1 4.05Å; L370-Q421 HydrophobicContact CD1-CG 3.82Å; L370-Q421 HydrophobicContact CD2-CG 3.92Å; L370-L424 HydrophobicContact CD2-CD1 4.09Å |
| 371 | R | 88.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 22% | 0.219 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -24.8 | 178.8 | -176.3 | 171.6 | 168 | 114 | -4.2 | 113 | V367 A369 K375 W396 S398 Y416 L420 | V367-R371 WeakPolarHBondContact O-CB 3.4Å; V367-R371 PolarHBondContact O-N 3.42Å; A369-R371 VanDerWaalsContact C-N 3.29Å; A369-R371 PolarHBondContact O-N 3.35Å; R371-K375 VanDerWaalsContact O-CG 3.28Å; R371-K375 WeakPolarHBondContact O-CG 3.48Å; R371-W396 HydrophobicContact CG-CE3 4.04Å; R371-W396 HydrophobicContact CG-CZ3 3.93Å; R371-W396 PolarHBondContact NH1-O 3.06Å; R371-W396 PolarHBondContact NH2-O 2.85Å; R371-S398 PolarHBondContact NH1-O 3.33Å; R371-S398 VanDerWaalsContact NH1-O 3.12Å; R371-Y416 PolarHBondContact NH1-OH 3.2Å; R371-L420 HydrophobicContact CB-CD1 4.16Å |
| 372 | A | 90 | Very high | 86.6 | Confident | 58 Ų | 58 | 77 Ų | 77 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -78.8 | -50.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K368 A369 L370 M374 K375 E376 | K368-A372 PolarHBondContact O-N 3.06Å; K368-A372 VanDerWaalsContact O-N 3.1Å; A369-A372 WeakPolarHBondContact O-CB 3.32Å; A369-A372 PolarHBondContact O-N 3.22Å; L370-A372 VanDerWaalsContact C-N 3.26Å; L370-A372 PolarHBondContact O-N 2.98Å; A372-M374 VanDerWaalsContact C-N 3.34Å; A372-M374 PolarHBondContact O-N 2.88Å; A372-K375 WeakPolarHBondContact O-CB 3.47Å; A372-K375 PolarHBondContact O-N 3.23Å; A372-K375 VanDerWaalsContact O-N 3.07Å; A372-E376 PolarHBondContact O-N 3Å |
| 373 | Q | 88.6 | Confident | 85.9 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.3 | -47.1 | 177.9 | -176.7 | -176.2 | 5.8 | 0 | 0 | 112 | A369 L370 E376 R377 | A369-Q373 PolarHBondContact O-N 3.31Å; L370-Q373 PolarHBondContact O-N 2.86Å; Q373-E376 PolarHBondContact O-N 2.87Å; Q373-R377 WeakPolarHBondContact O-CG 3.39Å; Q373-R377 PolarHBondContact O-N 3.28Å; Q373-R377 VanDerWaalsContact O-N 3.1Å |
| 374 | M | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.2 | -71.6 | -164.5 | 83.1 | 0 | 0 | 112.9 | L370 A372 E376 R377 L378 L385 F395 W396 L420 T423 L424 | L370-M374 WeakPolarHBondContact O-CG 3.33Å; L370-M374 PolarHBondContact O-N 3.49Å; A372-M374 VanDerWaalsContact C-N 3.34Å; A372-M374 PolarHBondContact O-N 2.88Å; M374-E376 VanDerWaalsContact C-N 3.32Å; M374-E376 PolarHBondContact O-N 2.83Å; M374-R377 PolarHBondContact O-N 2.9Å; M374-L378 HydrophobicContact CB-CD1 4.39Å; M374-L378 HydrophobicContact CE-CD1 4.3Å; M374-L378 VanDerWaalsContact O-CB 3.3Å; M374-L378 WeakPolarHBondContact O-CB 3.43Å; M374-L378 WeakPolarHBondContact O-CD1 3.08Å; M374-L378 VanDerWaalsContact O-CG 3.29Å; M374-L378 WeakPolarHBondContact O-CG 3.43Å; M374-L378 PolarHBondContact O-N 3.33Å; M374-L385 HydrophobicContact CE-CD1 4.5Å; M374-F395 HydrophobicContact CE-CE1 4.27Å; M374-F395 HydrophobicContact CE-CZ 3.86Å; M374-F395 HydrophobicContact SD-CE1 4.33Å; M374-F395 HydrophobicContact SD-CZ 4.22Å; M374-W396 HydrophobicContact CB-CH2 3.68Å; M374-W396 HydrophobicContact CB-CZ3 4.37Å; M374-L420 HydrophobicContact SD-CB 3.68Å; M374-L420 HydrophobicContact SD-CD2 3.6Å; M374-L420 VanDerWaalsContact SD-CD2 3.6Å; M374-L420 HydrophobicContact SD-CG 4.16Å; M374-L420 VanDerWaalsContact SD-O 3.39Å; M374-T423 VanDerWaalsContact CE-OG1 3.26Å; M374-T423 WeakPolarHBondContact CE-OG1 3.43Å; M374-L424 HydrophobicContact CE-CD2 4.48Å; M374-L424 HydrophobicContact CE-CG 4.13Å; M374-L424 HydrophobicContact CG-CD1 3.85Å; M374-L424 HydrophobicContact CG-CD2 3.6Å; M374-L424 HydrophobicContact CG-CG 3.5Å; M374-L424 HydrophobicContact SD-CG 4.07Å |
| 375 | K | 86.2 | Confident | 85.1 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 178.8 | -84.2 | -173.3 | 172.3 | -149.4 | 0 | 111.7 | R371 A372 S379 W396 | R371-K375 VanDerWaalsContact O-CG 3.28Å; R371-K375 WeakPolarHBondContact O-CG 3.48Å; A372-K375 WeakPolarHBondContact O-CB 3.47Å; A372-K375 PolarHBondContact O-N 3.23Å; A372-K375 VanDerWaalsContact O-N 3.07Å; K375-S379 WeakPolarHBondContact O-CB 3.47Å; K375-S379 PolarHBondContact O-N 3.1Å; K375-S379 PolarHBondContact O-OG 3Å; K375-W396 HydrophobicContact CB-CH2 4.4Å; K375-W396 HydrophobicContact CB-CZ2 4.37Å; K375-W396 HydrophobicContact CD-CD2 4.37Å; K375-W396 HydrophobicContact CD-CE3 4.45Å; K375-W396 HydrophobicContact CD-CZ2 4.48Å; K375-W396 HydrophobicContact CG-CD2 4.09Å; K375-W396 HydrophobicContact CG-CE3 4.14Å; K375-W396 HydrophobicContact CG-CH2 3.48Å; K375-W396 VanDerWaalsContact CG-CH2 3.48Å; K375-W396 HydrophobicContact CG-CZ2 3.39Å; K375-W396 HydrophobicContact CG-CZ3 3.86Å |
| 376 | E | 85.9 | Confident | 84.8 | Confident | 119 Ų | 119 | 84.3 Ų | 84.3 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.2 | -55.4 | 175.5 | -172.2 | -178.7 | 165.6 | 0 | 0 | 111 | A372 Q373 M374 L378 S379 Q380 | A372-E376 PolarHBondContact O-N 3Å; Q373-E376 PolarHBondContact O-N 2.87Å; M374-E376 VanDerWaalsContact C-N 3.32Å; M374-E376 PolarHBondContact O-N 2.83Å; E376-L378 PolarHBondContact O-N 2.78Å; E376-S379 PolarHBondContact O-N 3.27Å; E376-S379 PolarHBondContact O-OG 3.19Å; E376-Q380 WeakPolarHBondContact O-CG 3.28Å; E376-Q380 PolarHBondContact O-N 3.07Å |
| 377 | R | 82.5 | Confident | 84.6 | Confident | 94 Ų | 94 | 83 Ų | 83 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 179.1 | -70.5 | -59.1 | -156.6 | -159 | 5.3 | 113.3 | Q373 M374 S379 Q380 M381 L429 Q430 | Q373-R377 WeakPolarHBondContact O-CG 3.39Å; Q373-R377 PolarHBondContact O-N 3.28Å; Q373-R377 VanDerWaalsContact O-N 3.1Å; M374-R377 PolarHBondContact O-N 2.9Å; R377-S379 VanDerWaalsContact C-N 3.32Å; R377-S379 PolarHBondContact O-N 3.41Å; R377-Q380 WeakPolarHBondContact O-CB 3.34Å; R377-Q380 PolarHBondContact O-N 3.39Å; R377-Q380 VanDerWaalsContact O-N 3.14Å; R377-M381 PolarHBondContact O-N 2.87Å; R377-L429 HydrophobicContact CB-CB 4.43Å; R377-L429 HydrophobicContact CB-CD1 4.19Å; R377-L429 HydrophobicContact CB-CD2 4.29Å; R377-L429 HydrophobicContact CG-CB 4.43Å; R377-Q430 PolarHBondContact NH2-O 2.95Å |
| 378 | L | 83.5 | Confident | 84.4 | Confident | 14 Ų | 14 | 84.8 Ų | 84.8 | 7% | 0.073 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69.1 | -29.8 | -179.9 | -70 | 164.1 | 0 | 0 | 0 | 112.4 | M374 E376 Q380 M381 K382 L383 L385 W396 L427 L429 | M374-L378 HydrophobicContact CB-CD1 4.39Å; M374-L378 HydrophobicContact CE-CD1 4.3Å; M374-L378 VanDerWaalsContact O-CB 3.3Å; M374-L378 WeakPolarHBondContact O-CB 3.43Å; M374-L378 WeakPolarHBondContact O-CD1 3.08Å; M374-L378 VanDerWaalsContact O-CG 3.29Å; M374-L378 WeakPolarHBondContact O-CG 3.43Å; M374-L378 PolarHBondContact O-N 3.33Å; E376-L378 PolarHBondContact O-N 2.78Å; L378-Q380 VanDerWaalsContact C-N 3.28Å; L378-Q380 PolarHBondContact O-N 3.43Å; L378-M381 PolarHBondContact O-N 3.09Å; L378-K382 PolarHBondContact O-N 3.26Å; L378-L383 HydrophobicContact CD2-CB 4.35Å; L378-L385 HydrophobicContact CD1-CD1 3.57Å; L378-L385 HydrophobicContact CD1-CG 4.28Å; L378-L385 HydrophobicContact CD2-CD1 3.96Å; L378-L385 HydrophobicContact CD2-CD2 4.37Å; L378-L385 HydrophobicContact CD2-CG 4.13Å; L378-L385 HydrophobicContact CG-CD1 4.43Å; L378-W396 HydrophobicContact CD1-CH2 4.07Å; L378-W396 HydrophobicContact CD1-CZ2 3.74Å; L378-L427 HydrophobicContact CD2-CD1 4.26Å; L378-L429 HydrophobicContact CD2-CD1 4.1Å; L378-L429 HydrophobicContact CG-CD1 4.31Å |
| 379 | S | 81.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 57% | 0.566 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.2 | -28.7 | 172.1 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | K375 E376 R377 | K375-S379 WeakPolarHBondContact O-CB 3.47Å; K375-S379 PolarHBondContact O-N 3.1Å; K375-S379 PolarHBondContact O-OG 3Å; E376-S379 PolarHBondContact O-N 3.27Å; E376-S379 PolarHBondContact O-OG 3.19Å; R377-S379 VanDerWaalsContact C-N 3.32Å; R377-S379 PolarHBondContact O-N 3.41Å |
| 380 | Q | 81.4 | Confident | 84 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.4 | -40.6 | 175.6 | -65.1 | 163.4 | 0.1 | 0 | 0 | 111 | E376 R377 L378 | E376-Q380 WeakPolarHBondContact O-CG 3.28Å; E376-Q380 PolarHBondContact O-N 3.07Å; R377-Q380 WeakPolarHBondContact O-CB 3.34Å; R377-Q380 PolarHBondContact O-N 3.39Å; R377-Q380 VanDerWaalsContact O-N 3.14Å; L378-Q380 VanDerWaalsContact C-N 3.28Å; L378-Q380 PolarHBondContact O-N 3.43Å |
| 381 | M | 78.7 | Confident | 83.9 | Confident | 104 Ų | 104 | 84.2 Ų | 84.2 | 51% | 0.512 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -87.2 | -15.6 | 179.4 | -69.5 | -169.5 | 171.6 | 0 | 0 | 115.5 | R377 L378 L383 L429 | R377-M381 PolarHBondContact O-N 2.87Å; L378-M381 PolarHBondContact O-N 3.09Å; M381-L383 VanDerWaalsContact C-N 3.3Å; M381-L383 HydrophobicContact CB-CD1 4.01Å; M381-L383 HydrophobicContact CB-CG 3.96Å; M381-L383 PolarHBondContact O-N 3.37Å; M381-L383 HydrophobicContact SD-CD1 3.94Å; M381-L429 HydrophobicContact CE-CD2 3.63Å; M381-L429 HydrophobicContact SD-CD2 3.64Å |
| 382 | K | 76.1 | Confident | 83.7 | Confident | 190 Ų | 190 | 82.2 Ų | 82.2 | 83% | 0.826 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 37.1 | -174.8 | -57 | -178.4 | 179.9 | 177.3 | 0 | 114.3 | L378 | L378-K382 PolarHBondContact O-N 3.26Š|
| 383 | L | 76.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 84.7 Ų | 84.7 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | trans | -95.2 | 131 | 177.1 | -64.1 | 174 | 0 | 0 | 0 | 111.1 | L378 M381 | L378-L383 HydrophobicContact CD2-CB 4.35Å; M381-L383 VanDerWaalsContact C-N 3.3Å; M381-L383 HydrophobicContact CB-CD1 4.01Å; M381-L383 HydrophobicContact CB-CG 3.96Å; M381-L383 PolarHBondContact O-N 3.37Å; M381-L383 HydrophobicContact SD-CD1 3.94Å | ||
| 384 | E | 76.7 | Confident | 83.3 | Confident | 196 Ų | 196 | 82.9 Ų | 82.9 | 92% | 0.916 | 45% | 0.45 | S | S | * | . | trans | -89 | 137.3 | 167.2 | -61.9 | -159.6 | 152.1 | 0 | 0 | 110.3 | ||||
| 385 | L | 79.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 83.3 Ų | 83.3 | 20% | 0.199 | 45% | 0.451 | C | S | . | . | trans | -109.6 | 144.5 | -177.9 | -63.9 | -175 | 0 | 0 | 0 | 111.6 | M374 L378 F395 L427 | M374-L385 HydrophobicContact CE-CD1 4.5Å; L378-L385 HydrophobicContact CD1-CD1 3.57Å; L378-L385 HydrophobicContact CD1-CG 4.28Å; L378-L385 HydrophobicContact CD2-CD1 3.96Å; L378-L385 HydrophobicContact CD2-CD2 4.37Å; L378-L385 HydrophobicContact CD2-CG 4.13Å; L378-L385 HydrophobicContact CG-CD1 4.43Å; L385-F395 HydrophobicContact CB-CB 4.09Å; L385-F395 HydrophobicContact CB-CD2 3.52Å; L385-F395 HydrophobicContact CB-CE2 4.11Å; L385-F395 HydrophobicContact CB-CG 3.91Å; L385-F395 HydrophobicContact CD1-CD1 4.48Å; L385-F395 HydrophobicContact CD1-CD2 3.87Å; L385-F395 HydrophobicContact CD1-CE1 4.28Å; L385-F395 HydrophobicContact CD1-CE2 3.62Å; L385-F395 HydrophobicContact CD1-CG 4.3Å; L385-F395 HydrophobicContact CD1-CZ 3.85Å; L385-F395 HydrophobicContact CG-CD2 4.37Å; L385-L427 HydrophobicContact CD1-CD1 4.05Å; L385-L427 HydrophobicContact CD2-CD1 3.77Å | ||
| 386 | P | 84 | Confident | 83.1 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 70% | 0.701 | 44% | 0.44 | S | S | * | . | trans | -62.4 | 155.1 | 176.4 | 27.8 | -35.6 | 0 | 0 | 0 | 111.8 | L388 F395 | P386-L388 PolarHBondContact O-N 3.29Å; P386-F395 WeakPolarHBondContact O-CD2 3.43Å | ||
| 387 | T | 86.7 | Confident | 83.2 | Confident | 68 Ų | 68 | 79 Ų | 79 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | trans | -63.7 | 132.5 | -177.2 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | C389 A392 S393 | T387-C389 VanDerWaalsContact C-N 3.27Å; T387-C389 PolarHBondContact O-N 2.9Å; T387-A392 WeakPolarHBondContact CG2-O 3.29Å; T387-S393 WeakPolarHBondContact CG2-O 3.33Å | ||
| 388 | L | 86.3 | Confident | 83.4 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -67.9 | -28.1 | -179.5 | -74 | 170.8 | 0 | 0 | 0 | 112.6 | P386 F395 F409 Y416 A419 L420 | P386-L388 PolarHBondContact O-N 3.29Å; L388-F395 HydrophobicContact CD1-CD1 4.43Å; L388-F395 HydrophobicContact CD1-CD2 4.07Å; L388-F395 HydrophobicContact CD1-CE1 4.19Å; L388-F395 HydrophobicContact CD1-CE2 3.81Å; L388-F395 HydrophobicContact CD1-CG 4.38Å; L388-F395 HydrophobicContact CD1-CZ 3.87Å; L388-F395 HydrophobicContact CD2-CD2 4.08Å; L388-F395 HydrophobicContact CD2-CE2 3.61Å; L388-F395 HydrophobicContact CD2-CZ 4.29Å; L388-F395 HydrophobicContact CG-CD2 3.67Å; L388-F395 HydrophobicContact CG-CE2 3.62Å; L388-F395 HydrophobicContact CG-CG 4.31Å; L388-F395 HydrophobicContact CG-CZ 4.21Å; L388-F409 HydrophobicContact CB-CE2 3.9Å; L388-F409 HydrophobicContact CB-CZ 4.35Å; L388-F409 WeakPolarHBondContact O-CE2 3.41Å; L388-Y416 HydrophobicContact CD1-CD2 4.39Å; L388-Y416 HydrophobicContact CD1-CE2 3.68Å; L388-A419 HydrophobicContact CD2-CB 4.24Å; L388-L420 HydrophobicContact CD1-CD2 4.23Å |
| 389 | C | 88.1 | Confident | 83.6 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -153.7 | 161.2 | 172.6 | 68.8 | 0 | 0 | 0 | 0 | 112 | T387 C391 A392 S398 C403 F409 | T387-C389 VanDerWaalsContact C-N 3.27Å; T387-C389 PolarHBondContact O-N 2.9Å; C389-C391 PolarHBondContact O-N 3.05Å; C389-A392 PolarHBondContact O-N 2.91Å; C389-S398 PolarHBondContact SG-OG 3.38Å; C389-C403 VanDerWaalsContact SG-SG 3.68Å; C389-F409 HydrophobicContact CB-CD2 4.01Å; C389-F409 HydrophobicContact CB-CE2 3.98Å |
| 390 | C | 86 | Confident | 83.9 | Confident | 137 Ų | 137 | 72.4 Ų | 72.4 | 93% | 0.926 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -0.6 | -179.9 | -45 | 0 | 0 | 0 | 0 | 114.9 | A392 | C390-A392 VanDerWaalsContact C-N 3.31Š|
| 391 | C | 88.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 72 Ų | 72 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 1.1 | 174.5 | -57 | 0 | 0 | 0 | 0 | 113.2 | C389 C403 | C389-C391 PolarHBondContact O-N 3.05Å; C391-C403 HydrophobicContact CB-CB 4.47Å |
| 392 | A | 84.9 | Confident | 84.6 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | trans | -134 | 138.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112 | T387 C389 C390 S394 D397 S398 | T387-A392 WeakPolarHBondContact CG2-O 3.29Å; C389-A392 PolarHBondContact O-N 2.91Å; C390-A392 VanDerWaalsContact C-N 3.31Å; A392-S394 WeakPolarHBondContact CB-O 3.37Å; A392-D397 HydrophobicContact CB-CB 3.9Å; A392-S398 WeakPolarHBondContact CB-OG 3.43Å | ||
| 393 | S | 83.8 | Confident | 85.2 | Confident | 110 Ų | 110 | 63 Ų | 63 | 77% | 0.769 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -74.9 | -36.3 | 174.2 | 30.1 | 0 | 0 | 0 | 0 | 113.2 | T387 D397 | T387-S393 WeakPolarHBondContact CG2-O 3.33Å; S393-D397 PolarHBondContact OG-OD2 3.02Å |
| 394 | S | 85.2 | Confident | 86 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -126.3 | 166.5 | 175.7 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | A392 W396 D397 | A392-S394 WeakPolarHBondContact CB-O 3.37Å; S394-W396 PolarHBondContact O-N 3.46Å; S394-W396 PolarHBondContact OG-N 3.13Å; S394-D397 VanDerWaalsContact CB-OD2 3.31Å; S394-D397 WeakPolarHBondContact CB-OD2 3.4Å; S394-D397 PolarHBondContact N-OD2 3.5Å; S394-D397 PolarHBondContact O-N 3.21Å; S394-D397 VanDerWaalsContact O-N 3.13Å; S394-D397 PolarHBondContact OG-N 2.88Å; S394-D397 PolarHBondContact OG-OD1 2.76Å; S394-D397 PolarHBondContact OG-OD2 3.12Å |
| 395 | F | 85.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -34.1 | 170.3 | -177.8 | -88.1 | 0 | 0 | 0 | 113 | M374 L385 P386 L388 L420 T423 | M374-F395 HydrophobicContact CE-CE1 4.27Å; M374-F395 HydrophobicContact CE-CZ 3.86Å; M374-F395 HydrophobicContact SD-CE1 4.33Å; M374-F395 HydrophobicContact SD-CZ 4.22Å; L385-F395 HydrophobicContact CB-CB 4.09Å; L385-F395 HydrophobicContact CB-CD2 3.52Å; L385-F395 HydrophobicContact CB-CE2 4.11Å; L385-F395 HydrophobicContact CB-CG 3.91Å; L385-F395 HydrophobicContact CD1-CD1 4.48Å; L385-F395 HydrophobicContact CD1-CD2 3.87Å; L385-F395 HydrophobicContact CD1-CE1 4.28Å; L385-F395 HydrophobicContact CD1-CE2 3.62Å; L385-F395 HydrophobicContact CD1-CG 4.3Å; L385-F395 HydrophobicContact CD1-CZ 3.85Å; L385-F395 HydrophobicContact CG-CD2 4.37Å; P386-F395 WeakPolarHBondContact O-CD2 3.43Å; L388-F395 HydrophobicContact CD1-CD1 4.43Å; L388-F395 HydrophobicContact CD1-CD2 4.07Å; L388-F395 HydrophobicContact CD1-CE1 4.19Å; L388-F395 HydrophobicContact CD1-CE2 3.81Å; L388-F395 HydrophobicContact CD1-CG 4.38Å; L388-F395 HydrophobicContact CD1-CZ 3.87Å; L388-F395 HydrophobicContact CD2-CD2 4.08Å; L388-F395 HydrophobicContact CD2-CE2 3.61Å; L388-F395 HydrophobicContact CD2-CZ 4.29Å; L388-F395 HydrophobicContact CG-CD2 3.67Å; L388-F395 HydrophobicContact CG-CE2 3.62Å; L388-F395 HydrophobicContact CG-CG 4.31Å; L388-F395 HydrophobicContact CG-CZ 4.21Å; F395-L420 HydrophobicContact CE1-CD2 3.82Å; F395-L420 HydrophobicContact CZ-CD2 3.89Å; F395-T423 HydrophobicContact CE2-CG2 4.29Å |
| 396 | W | 84.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 20% | 0.197 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -21.4 | -176.6 | -57.6 | 115.1 | 0 | 0 | 0 | 114.8 | R371 M374 K375 L378 S394 S398 | R371-W396 HydrophobicContact CG-CE3 4.04Å; R371-W396 HydrophobicContact CG-CZ3 3.93Å; R371-W396 PolarHBondContact NH1-O 3.06Å; R371-W396 PolarHBondContact NH2-O 2.85Å; M374-W396 HydrophobicContact CB-CH2 3.68Å; M374-W396 HydrophobicContact CB-CZ3 4.37Å; K375-W396 HydrophobicContact CB-CH2 4.4Å; K375-W396 HydrophobicContact CB-CZ2 4.37Å; K375-W396 HydrophobicContact CD-CD2 4.37Å; K375-W396 HydrophobicContact CD-CE3 4.45Å; K375-W396 HydrophobicContact CD-CZ2 4.48Å; K375-W396 HydrophobicContact CG-CD2 4.09Å; K375-W396 HydrophobicContact CG-CE3 4.14Å; K375-W396 HydrophobicContact CG-CH2 3.48Å; K375-W396 VanDerWaalsContact CG-CH2 3.48Å; K375-W396 HydrophobicContact CG-CZ2 3.39Å; K375-W396 HydrophobicContact CG-CZ3 3.86Å; L378-W396 HydrophobicContact CD1-CH2 4.07Å; L378-W396 HydrophobicContact CD1-CZ2 3.74Å; S394-W396 PolarHBondContact O-N 3.46Å; S394-W396 PolarHBondContact OG-N 3.13Å; W396-S398 PolarHBondContact O-N 3.02Å |
| 397 | D | 86.4 | Confident | 87.5 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.1 | -175.4 | -51.2 | -43.6 | 0 | 0 | 0 | 111.9 | A392 S393 S394 H399 T402 | A392-D397 HydrophobicContact CB-CB 3.9Å; S393-D397 PolarHBondContact OG-OD2 3.02Å; S394-D397 VanDerWaalsContact CB-OD2 3.31Å; S394-D397 WeakPolarHBondContact CB-OD2 3.4Å; S394-D397 PolarHBondContact N-OD2 3.5Å; S394-D397 PolarHBondContact O-N 3.21Å; S394-D397 VanDerWaalsContact O-N 3.13Å; S394-D397 PolarHBondContact OG-N 2.88Å; S394-D397 PolarHBondContact OG-OD1 2.76Å; S394-D397 PolarHBondContact OG-OD2 3.12Å; D397-H399 PolarHBondContact O-N 2.9Å; D397-T402 PolarHBondContact O-OG1 2.84Å |
| 398 | S | 87.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -64.6 | 119.7 | 165.6 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | R371 C389 A392 W396 Y416 | R371-S398 PolarHBondContact NH1-O 3.33Å; R371-S398 VanDerWaalsContact NH1-O 3.12Å; C389-S398 PolarHBondContact SG-OG 3.38Å; A392-S398 WeakPolarHBondContact CB-OG 3.43Å; W396-S398 PolarHBondContact O-N 3.02Å; S398-Y416 VanDerWaalsContact O-CE2 3.31Å; S398-Y416 WeakPolarHBondContact O-CE2 3.3Å; S398-Y416 VanDerWaalsContact O-CZ 3.27Å; S398-Y416 PolarHBondContact O-OH 3.04Å; S398-Y416 VanDerWaalsContact O-OH 3.08Å | ||
| 399 | H | 86.7 | Confident | 87.9 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | trans | -147.4 | 145.8 | 170.8 | -158.7 | -107 | 0 | 0 | 0 | 110.9 | D397 D401 T402 C403 | D397-H399 PolarHBondContact O-N 2.9Å; H399-D401 IonicContact CE1-OD2 2.74Å; H399-D401 PolarHBondContact CE1-OD2 3.42Å; H399-D401 IonicContact ND1-OD2 2.72Å; H399-D401 PolarHBondContact ND1-OD2 3.2Å; H399-D401 PolarHBondContact O-N 2.93Å; H399-D401 VanDerWaalsContact O-N 3.11Å; H399-T402 HydrophobicContact CB-CG2 4.35Å; H399-T402 WeakPolarHBondContact CB-OG1 3.4Å; H399-T402 PolarHBondContact O-N 3.24Å; H399-T402 VanDerWaalsContact O-N 3.11Å; H399-T402 PolarHBondContact O-OG1 2.96Å; H399-C403 PolarHBondContact O-N 3.02Å; H399-C403 PolarHBondContact O-SG 3.34Å; H399-C403 VanDerWaalsContact O-SG 3.33Å | ||
| 400 | P | 87.9 | Confident | 88 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.019 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31 | -179.3 | -28.2 | 35.2 | 0 | 0 | 0 | 115.3 | F409 N411 P413 Y416 | P400-F409 VanDerWaalsContact CA-O 3.25Å; P400-F409 WeakPolarHBondContact CA-O 3.16Å; P400-F409 WeakPolarHBondContact CB-O 3.44Å; P400-N411 PolarHBondContact O-N 3.31Å; P400-P413 HydrophobicContact CB-CB 4.41Å; P400-P413 HydrophobicContact CG-CB 4.05Å; P400-Y416 HydrophobicContact CG-CD1 3.98Å; P400-Y416 HydrophobicContact CG-CG 3.96Å |
| 401 | D | 86.4 | Confident | 88.1 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.4 | -176.7 | -43.5 | -53.5 | 0 | 0 | 0 | 113.5 | H399 | H399-D401 IonicContact CE1-OD2 2.74Å; H399-D401 PolarHBondContact CE1-OD2 3.42Å; H399-D401 IonicContact ND1-OD2 2.72Å; H399-D401 PolarHBondContact ND1-OD2 3.2Å; H399-D401 PolarHBondContact O-N 2.93Å; H399-D401 VanDerWaalsContact O-N 3.11Å |
| 402 | T | 88.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -24.2 | -177.5 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | D397 H399 | D397-T402 PolarHBondContact O-OG1 2.84Å; H399-T402 HydrophobicContact CB-CG2 4.35Å; H399-T402 WeakPolarHBondContact CB-OG1 3.4Å; H399-T402 PolarHBondContact O-N 3.24Å; H399-T402 VanDerWaalsContact O-N 3.11Å; H399-T402 PolarHBondContact O-OG1 2.96Å |
| 403 | C | 90.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -64.8 | 142.1 | 176.3 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | C389 C391 H399 C407 H410 | C389-C403 VanDerWaalsContact SG-SG 3.68Å; C391-C403 HydrophobicContact CB-CB 4.47Å; H399-C403 PolarHBondContact O-N 3.02Å; H399-C403 PolarHBondContact O-SG 3.34Å; H399-C403 VanDerWaalsContact O-SG 3.33Å; C403-C407 HydrophobicContact CB-CB 3.76Å; C403-H410 PolarHBondContact O-ND1 3.41Å |
| 404 | A | 91.9 | Very high | 88.5 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | trans | -62.1 | 152.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N406 C407 H410 | A404-N406 PolarHBondContact O-N 3.25Å; A404-C407 WeakPolarHBondContact O-CB 3.45Å; A404-C407 PolarHBondContact O-N 2.88Å; A404-H410 WeakPolarHBondContact O-CB 3.29Å | ||
| 405 | N | 89.9 | Confident | 88.7 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.3 | -169.4 | -61.2 | 14.1 | 0 | 0 | 0 | 116 | H410 | N405-H410 PolarHBondContact OD1-CE1 2.91Š|
| 406 | N | 90.9 | Very high | 89 | Confident | 169 Ų | 169 | 64.2 Ų | 64.2 | 90% | 0.904 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.1 | -179.6 | -63.5 | -1.9 | 0 | 0 | 0 | 113.5 | A404 | A404-N406 PolarHBondContact O-N 3.25Š|
| 407 | C | 91.7 | Very high | 89.2 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -80.1 | 139.4 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | C403 A404 F409 H410 | C403-C407 HydrophobicContact CB-CB 3.76Å; A404-C407 WeakPolarHBondContact O-CB 3.45Å; A404-C407 PolarHBondContact O-N 2.88Å; C407-F409 PolarHBondContact O-N 3.45Å; C407-H410 HydrophobicContact CB-CB 4.32Å; C407-H410 WeakPolarHBondContact O-CB 3.39Å; C407-H410 PolarHBondContact O-N 3.17Å |
| 408 | I | 89.9 | Confident | 89.4 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.4 | 178.2 | -165.1 | 167.4 | 0 | 0 | 0 | 114.4 | N412 | I408-N412 PolarHBondContact O-ND2 2.86Š|
| 409 | F | 90.9 | Very high | 89.6 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -16 | 177.5 | -58.2 | -55.3 | 0 | 0 | 0 | 114.4 | L388 C389 P400 C407 N411 N412 A415 Y416 A419 | L388-F409 HydrophobicContact CB-CE2 3.9Å; L388-F409 HydrophobicContact CB-CZ 4.35Å; L388-F409 WeakPolarHBondContact O-CE2 3.41Å; C389-F409 HydrophobicContact CB-CD2 4.01Å; C389-F409 HydrophobicContact CB-CE2 3.98Å; P400-F409 VanDerWaalsContact CA-O 3.25Å; P400-F409 WeakPolarHBondContact CA-O 3.16Å; P400-F409 WeakPolarHBondContact CB-O 3.44Å; C407-F409 PolarHBondContact O-N 3.45Å; F409-N411 PolarHBondContact O-N 3.24Å; F409-N412 WeakPolarHBondContact O-CA 3.49Å; F409-N412 PolarHBondContact O-N 3.46Å; F409-A415 HydrophobicContact CD1-CB 4.16Å; F409-A415 HydrophobicContact CE1-CB 4.45Å; F409-Y416 HydrophobicContact CD1-CD2 4.07Å; F409-Y416 HydrophobicContact CD1-CG 4.46Å; F409-Y416 HydrophobicContact CE1-CD2 4.41Å; F409-Y416 HydrophobicContact CG-CD2 4.12Å; F409-A419 HydrophobicContact CE1-CB 3.84Å; F409-A419 HydrophobicContact CZ-CB 3.93Å |
| 410 | H | 90.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 125.9 | -175.9 | 175.4 | 86 | 0 | 0 | 0 | 111.4 | C403 A404 N405 C407 N412 | C403-H410 PolarHBondContact O-ND1 3.41Å; A404-H410 WeakPolarHBondContact O-CB 3.29Å; N405-H410 PolarHBondContact OD1-CE1 2.91Å; C407-H410 HydrophobicContact CB-CB 4.32Å; C407-H410 WeakPolarHBondContact O-CB 3.39Å; C407-H410 PolarHBondContact O-N 3.17Å; H410-N412 PolarHBondContact O-N 2.93Å |
| 411 | N | 88.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 67.7 Ų | 67.7 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 22.5 | -175 | -159.3 | 8.4 | 0 | 0 | 0 | 113.8 | P400 F409 P413 | P400-N411 PolarHBondContact O-N 3.31Å; F409-N411 PolarHBondContact O-N 3.24Å; N411-P413 VanDerWaalsContact C-CD 3.46Å; N411-P413 WeakPolarHBondContact O-CD 3.32Å |
| 412 | N | 88.3 | Confident | 89.8 | Confident | 63 Ų | 63 | 68 Ų | 68 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | trans | -127.5 | 68.4 | -173.7 | -165.9 | -9.3 | 0 | 0 | 0 | 111.6 | I408 F409 H410 R414 A415 Y416 | I408-N412 PolarHBondContact O-ND2 2.86Å; F409-N412 WeakPolarHBondContact O-CA 3.49Å; F409-N412 PolarHBondContact O-N 3.46Å; H410-N412 PolarHBondContact O-N 2.93Å; N412-R414 PolarHBondContact O-N 3.47Å; N412-A415 HydrophobicContact CB-CB 4.26Å; N412-A415 VanDerWaalsContact CG-CB 3.46Å; N412-A415 WeakPolarHBondContact ND2-CB 3.45Å; N412-A415 PolarHBondContact O-N 3.44Å; N412-A415 PolarHBondContact OD1-N 3.34Å; N412-Y416 PolarHBondContact O-N 3.03Å; N412-Y416 VanDerWaalsContact O-N 3.16Å | ||
| 413 | P | 89.3 | Confident | 89.6 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.9 | -17.6 | 177.3 | 26.1 | -35.1 | 0 | 0 | 0 | 113.3 | V367 P400 N411 A417 | V367-P413 HydrophobicContact CG2-CB 3.9Å; V367-P413 VanDerWaalsContact CG2-O 3.32Å; V367-P413 WeakPolarHBondContact CG2-O 3.26Å; P400-P413 HydrophobicContact CB-CB 4.41Å; P400-P413 HydrophobicContact CG-CB 4.05Å; N411-P413 VanDerWaalsContact C-CD 3.46Å; N411-P413 WeakPolarHBondContact O-CD 3.32Å; P413-A417 WeakPolarHBondContact O-CB 3.43Å; P413-A417 PolarHBondContact O-N 2.78Å |
| 414 | R | 87.9 | Confident | 89.3 | Confident | 164 Ų | 164 | 65.1 Ų | 65.1 | 62% | 0.619 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -75.9 | -43.8 | 175.8 | -70.7 | 176.1 | 161.5 | -149.4 | -13.4 | 112.6 | N412 Y416 K418 | N412-R414 PolarHBondContact O-N 3.47Å; R414-Y416 VanDerWaalsContact C-N 3.34Å; R414-K418 WeakPolarHBondContact O-CG 3.27Å; R414-K418 PolarHBondContact O-N 2.91Å |
| 415 | A | 89.4 | Confident | 89 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 21% | 0.207 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | F409 N412 K418 A419 | F409-A415 HydrophobicContact CD1-CB 4.16Å; F409-A415 HydrophobicContact CE1-CB 4.45Å; N412-A415 HydrophobicContact CB-CB 4.26Å; N412-A415 VanDerWaalsContact CG-CB 3.46Å; N412-A415 WeakPolarHBondContact ND2-CB 3.45Å; N412-A415 PolarHBondContact O-N 3.44Å; N412-A415 PolarHBondContact OD1-N 3.34Å; A415-K418 PolarHBondContact O-N 3.04Å; A415-A419 PolarHBondContact O-N 2.78Å |
| 416 | Y | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 177.1 | -174.4 | -109.7 | 0 | 0 | 0 | 112.2 | V367 R371 L388 S398 P400 F409 N412 R414 K418 A419 L420 | V367-Y416 HydrophobicContact CG1-CD1 3.62Å; V367-Y416 HydrophobicContact CG1-CE1 3.72Å; V367-Y416 HydrophobicContact CG2-CD1 4.35Å; R371-Y416 PolarHBondContact NH1-OH 3.2Å; L388-Y416 HydrophobicContact CD1-CD2 4.39Å; L388-Y416 HydrophobicContact CD1-CE2 3.68Å; S398-Y416 VanDerWaalsContact O-CE2 3.31Å; S398-Y416 WeakPolarHBondContact O-CE2 3.3Å; S398-Y416 VanDerWaalsContact O-CZ 3.27Å; S398-Y416 PolarHBondContact O-OH 3.04Å; S398-Y416 VanDerWaalsContact O-OH 3.08Å; P400-Y416 HydrophobicContact CG-CD1 3.98Å; P400-Y416 HydrophobicContact CG-CG 3.96Å; F409-Y416 HydrophobicContact CD1-CD2 4.07Å; F409-Y416 HydrophobicContact CD1-CG 4.46Å; F409-Y416 HydrophobicContact CE1-CD2 4.41Å; F409-Y416 HydrophobicContact CG-CD2 4.12Å; N412-Y416 PolarHBondContact O-N 3.03Å; N412-Y416 VanDerWaalsContact O-N 3.16Å; R414-Y416 VanDerWaalsContact C-N 3.34Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 2.88Å; Y416-A419 PolarHBondContact O-N 2.85Å; Y416-A419 VanDerWaalsContact O-N 3.13Å; Y416-L420 HydrophobicContact CD1-CD1 4.13Å; Y416-L420 HydrophobicContact CE1-CD1 3.64Å; Y416-L420 HydrophobicContact CE1-CD2 4.46Å; Y416-L420 HydrophobicContact CE1-CG 4.16Å; Y416-L420 HydrophobicContact CE2-CD2 4.44Å; Y416-L420 WeakPolarHBondContact O-CG 3.26Å; Y416-L420 PolarHBondContact O-N 3.35Å |
| 417 | A | 90.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F366 V367 L370 P413 A419 L420 Q421 | F366-A417 HydrophobicContact CD1-CB 4.1Å; F366-A417 HydrophobicContact CE1-CB 3.94Å; V367-A417 HydrophobicContact CG2-CB 3.93Å; L370-A417 HydrophobicContact CD1-CB 3.96Å; P413-A417 WeakPolarHBondContact O-CB 3.43Å; P413-A417 PolarHBondContact O-N 2.78Å; A417-A419 PolarHBondContact O-N 2.93Å; A417-L420 PolarHBondContact O-N 2.89Å; A417-Q421 WeakPolarHBondContact O-CG 3.48Å; A417-Q421 PolarHBondContact O-N 3.5Å |
| 418 | K | 90.6 | Very high | 86.5 | Confident | 143 Ų | 143 | 66.1 Ų | 66.1 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 174.6 | -78.8 | -176 | 172.3 | -165.9 | 0 | 112.5 | R414 A415 Y416 Q421 L422 | R414-K418 WeakPolarHBondContact O-CG 3.27Å; R414-K418 PolarHBondContact O-N 2.91Å; A415-K418 PolarHBondContact O-N 3.04Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 2.88Å; K418-Q421 PolarHBondContact O-N 3.49Å; K418-L422 WeakPolarHBondContact O-CB 3.4Å; K418-L422 VanDerWaalsContact O-CG 3.3Å; K418-L422 WeakPolarHBondContact O-CG 3.18Å; K418-L422 PolarHBondContact O-N 2.88Å |
| 419 | A | 90.3 | Very high | 85 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L388 F409 A415 Y416 A417 T423 | L388-A419 HydrophobicContact CD2-CB 4.24Å; F409-A419 HydrophobicContact CE1-CB 3.84Å; F409-A419 HydrophobicContact CZ-CB 3.93Å; A415-A419 PolarHBondContact O-N 2.78Å; Y416-A419 PolarHBondContact O-N 2.85Å; Y416-A419 VanDerWaalsContact O-N 3.13Å; A417-A419 PolarHBondContact O-N 2.93Å; A419-T423 WeakPolarHBondContact O-CB 3.38Å; A419-T423 PolarHBondContact O-N 2.84Å; A419-T423 PolarHBondContact O-OG1 2.88Å |
| 420 | L | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 172.6 | -63 | -178.2 | 0 | 0 | 0 | 112.2 | L370 R371 M374 L388 F395 Y416 A417 T423 L424 | L370-L420 HydrophobicContact CB-CB 4.45Å; L370-L420 HydrophobicContact CB-CD1 4.05Å; R371-L420 HydrophobicContact CB-CD1 4.16Å; M374-L420 HydrophobicContact SD-CB 3.68Å; M374-L420 HydrophobicContact SD-CD2 3.6Å; M374-L420 VanDerWaalsContact SD-CD2 3.6Å; M374-L420 HydrophobicContact SD-CG 4.16Å; M374-L420 VanDerWaalsContact SD-O 3.39Å; L388-L420 HydrophobicContact CD1-CD2 4.23Å; F395-L420 HydrophobicContact CE1-CD2 3.82Å; F395-L420 HydrophobicContact CZ-CD2 3.89Å; Y416-L420 HydrophobicContact CD1-CD1 4.13Å; Y416-L420 HydrophobicContact CE1-CD1 3.64Å; Y416-L420 HydrophobicContact CE1-CD2 4.46Å; Y416-L420 HydrophobicContact CE1-CG 4.16Å; Y416-L420 HydrophobicContact CE2-CD2 4.44Å; Y416-L420 WeakPolarHBondContact O-CG 3.26Å; Y416-L420 PolarHBondContact O-N 3.35Å; A417-L420 PolarHBondContact O-N 2.89Å; L420-T423 WeakPolarHBondContact CA-OG1 3.45Å; L420-T423 PolarHBondContact O-N 3.36Å; L420-T423 PolarHBondContact O-OG1 2.62Å; L420-L424 PolarHBondContact O-N 3.42Å |
| 421 | Q | 88.6 | Confident | 82.9 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.1 | -72.2 | -176.6 | -66.2 | 0 | 0 | 112.8 | L370 A417 K418 T423 L424 V425 | L370-Q421 HydrophobicContact CD1-CG 3.82Å; L370-Q421 HydrophobicContact CD2-CG 3.92Å; A417-Q421 WeakPolarHBondContact O-CG 3.48Å; A417-Q421 PolarHBondContact O-N 3.5Å; K418-Q421 PolarHBondContact O-N 3.49Å; Q421-T423 VanDerWaalsContact C-N 3.32Å; Q421-T423 PolarHBondContact O-N 3.38Å; Q421-L424 WeakPolarHBondContact O-CB 3.32Å; Q421-L424 PolarHBondContact O-N 2.88Å; Q421-V425 WeakPolarHBondContact O-CG2 3.35Å; Q421-V425 PolarHBondContact O-N 3.09Å |
| 422 | L | 89.1 | Confident | 82.7 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | 176.2 | -71.5 | 169 | 0 | 0 | 0 | 111.7 | K418 V425 N426 | K418-L422 WeakPolarHBondContact O-CB 3.4Å; K418-L422 VanDerWaalsContact O-CG 3.3Å; K418-L422 WeakPolarHBondContact O-CG 3.18Å; K418-L422 PolarHBondContact O-N 2.88Å; L422-V425 PolarHBondContact O-N 3.23Å; L422-N426 VanDerWaalsContact O-CB 3.25Å; L422-N426 WeakPolarHBondContact O-CB 3.37Å; L422-N426 PolarHBondContact O-N 3.17Å; L422-N426 PolarHBondContact O-ND2 3.01Å; L422-N426 PolarHBondContact O-OD1 3.38Å |
| 423 | T | 84.3 | Confident | 82.3 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.202 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -76.6 | -25.7 | 175.2 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | M374 F395 A419 L420 Q421 L427 | M374-T423 VanDerWaalsContact CE-OG1 3.26Å; M374-T423 WeakPolarHBondContact CE-OG1 3.43Å; F395-T423 HydrophobicContact CE2-CG2 4.29Å; A419-T423 WeakPolarHBondContact O-CB 3.38Å; A419-T423 PolarHBondContact O-N 2.84Å; A419-T423 PolarHBondContact O-OG1 2.88Å; L420-T423 WeakPolarHBondContact CA-OG1 3.45Å; L420-T423 PolarHBondContact O-N 3.36Å; L420-T423 PolarHBondContact O-OG1 2.62Å; Q421-T423 VanDerWaalsContact C-N 3.32Å; Q421-T423 PolarHBondContact O-N 3.38Å; T423-L427 WeakPolarHBondContact O-CB 3.42Å; T423-L427 VanDerWaalsContact O-CD1 3.26Å; T423-L427 WeakPolarHBondContact O-CD1 3.42Å; T423-L427 VanDerWaalsContact O-CG 3.24Å; T423-L427 WeakPolarHBondContact O-CG 3.49Å |
| 424 | L | 83.8 | Confident | 81.9 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 164.9 | -83.5 | 167.5 | 0 | 0 | 0 | 111.6 | L370 M374 L420 Q421 L427 D428 L429 | L370-L424 HydrophobicContact CD2-CD1 4.09Å; M374-L424 HydrophobicContact CE-CD2 4.48Å; M374-L424 HydrophobicContact CE-CG 4.13Å; M374-L424 HydrophobicContact CG-CD1 3.85Å; M374-L424 HydrophobicContact CG-CD2 3.6Å; M374-L424 HydrophobicContact CG-CG 3.5Å; M374-L424 HydrophobicContact SD-CG 4.07Å; L420-L424 PolarHBondContact O-N 3.42Å; Q421-L424 WeakPolarHBondContact O-CB 3.32Å; Q421-L424 PolarHBondContact O-N 2.88Å; L424-L427 PolarHBondContact O-N 3.31Å; L424-D428 PolarHBondContact O-N 3.19Å; L424-L429 HydrophobicContact CD2-CB 3.72Å; L424-L429 HydrophobicContact CD2-CD1 4.32Å; L424-L429 PolarHBondContact O-N 3.39Å |
| 425 | V | 84.9 | Confident | 81.6 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | -176.2 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | Q421 L422 L427 D428 | Q421-V425 WeakPolarHBondContact O-CG2 3.35Å; Q421-V425 PolarHBondContact O-N 3.09Å; L422-V425 PolarHBondContact O-N 3.23Å; V425-L427 PolarHBondContact O-N 3.25Å; V425-D428 PolarHBondContact O-N 3.03Å |
| 426 | N | 80.4 | Confident | 81 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 66% | 0.658 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2.8 | -179.3 | -66.6 | -2.9 | 0 | 0 | 0 | 114.4 | L422 | L422-N426 VanDerWaalsContact O-CB 3.25Å; L422-N426 WeakPolarHBondContact O-CB 3.37Å; L422-N426 PolarHBondContact O-N 3.17Å; L422-N426 PolarHBondContact O-ND2 3.01Å; L422-N426 PolarHBondContact O-OD1 3.38Å |
| 427 | L | 74.8 | Confident | 80.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 9.9 | 176.3 | -64.4 | 174.5 | 0 | 0 | 0 | 111.7 | L378 L385 T423 L424 V425 L429 | L378-L427 HydrophobicContact CD2-CD1 4.26Å; L385-L427 HydrophobicContact CD1-CD1 4.05Å; L385-L427 HydrophobicContact CD2-CD1 3.77Å; T423-L427 WeakPolarHBondContact O-CB 3.42Å; T423-L427 VanDerWaalsContact O-CD1 3.26Å; T423-L427 WeakPolarHBondContact O-CD1 3.42Å; T423-L427 VanDerWaalsContact O-CG 3.24Å; T423-L427 WeakPolarHBondContact O-CG 3.49Å; L424-L427 PolarHBondContact O-N 3.31Å; V425-L427 PolarHBondContact O-N 3.25Å; L427-L429 HydrophobicContact CB-CD1 3.79Å; L427-L429 HydrophobicContact CB-CG 3.66Å; L427-L429 HydrophobicContact CD1-CD1 3.98Å; L427-L429 WeakPolarHBondContact O-CG 2.99Å; L427-L429 PolarHBondContact O-N 3.17Å; L427-L429 VanDerWaalsContact O-N 3.16Å |
| 428 | D | 65.9 | Low | 79.5 | Confident | 152 Ų | 152 | 76 Ų | 76 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32 | -176 | -62.9 | -45 | 0 | 0 | 0 | 114.3 | L424 V425 Q430 | L424-D428 PolarHBondContact O-N 3.19Å; V425-D428 PolarHBondContact O-N 3.03Å; D428-Q430 VanDerWaalsContact C-N 3.26Å; D428-Q430 PolarHBondContact O-N 2.66Å |
| 429 | L | 59 | Low | 78.6 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | trans | -86.9 | 23.8 | -175.3 | -60.8 | 178.8 | 0 | 0 | 0 | 114.4 | R377 L378 M381 L424 L427 | R377-L429 HydrophobicContact CB-CB 4.43Å; R377-L429 HydrophobicContact CB-CD1 4.19Å; R377-L429 HydrophobicContact CB-CD2 4.29Å; R377-L429 HydrophobicContact CG-CB 4.43Å; L378-L429 HydrophobicContact CD2-CD1 4.1Å; L378-L429 HydrophobicContact CG-CD1 4.31Å; M381-L429 HydrophobicContact CE-CD2 3.63Å; M381-L429 HydrophobicContact SD-CD2 3.64Å; L424-L429 HydrophobicContact CD2-CB 3.72Å; L424-L429 HydrophobicContact CD2-CD1 4.32Å; L424-L429 PolarHBondContact O-N 3.39Å; L427-L429 HydrophobicContact CB-CD1 3.79Å; L427-L429 HydrophobicContact CB-CG 3.66Å; L427-L429 HydrophobicContact CD1-CD1 3.98Å; L427-L429 WeakPolarHBondContact O-CG 2.99Å; L427-L429 PolarHBondContact O-N 3.17Å; L427-L429 VanDerWaalsContact O-N 3.16Å | ||
| 430 | Q | 53.6 | Low | 77.6 | Confident | 185 Ų | 185 | 75.1 Ų | 75.1 | 86% | 0.864 | 39% | 0.39 | S | S | * | . | trans | -71.9 | 0 | -166.7 | -126.2 | 172.9 | -3.4 | 0 | 0 | 114.6 | R377 D428 | R377-Q430 PolarHBondContact NH2-O 2.95Å; D428-Q430 VanDerWaalsContact C-N 3.26Å; D428-Q430 PolarHBondContact O-N 2.66Å |
Retrieved 430 of 430 residues in 907.9 ms
(Link to these results)