| 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 | 24.8 | Very low | 28.9 | Very low | 229 Ų | 229 | 161.2 Ų | 161.2 | 100% | 1.128 | 80% | 0.8 | S | S | * | * | 0 | 127.9 | 0 | -75.2 | -56.4 | 178.2 | 0 | 0 | 107.6 | |||||
| 2 | P | 42.4 | Very low | 28.6 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | -132.7 | 161.7 | -82.5 | 34.9 | -21.2 | 0 | 0 | 0 | 114.2 | |||||
| 3 | N | 26.8 | Very low | 28.4 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 63% | 0.631 | 80% | 0.798 | S | S | * | * | cis | -132.9 | -133.5 | -5.6 | -124.4 | 32.3 | 0 | 0 | 0 | 111.2 | ||||
| 4 | E | 28.6 | Very low | 28.4 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | cis | 59.7 | 146.8 | 18.2 | -23.6 | -177.7 | 80.4 | 0 | 0 | 114.6 | ||||
| 5 | S | 28.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | cis | -157.9 | 156.2 | -0 | 30.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 6 | D | 29.2 | Very low | 28.3 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | 11.5 | 134.3 | 136.8 | -167.8 | 17.5 | 0 | 0 | 0 | 120.3 | ||||
| 7 | H | 28.6 | Very low | 28.2 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -154.3 | 128.7 | 142.2 | -141.1 | -68.3 | 0 | 0 | 0 | 113.7 | ||||
| 8 | L | 27.8 | Very low | 28.2 | Very low | 125 Ų | 125 | 155.6 Ų | 155.6 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 156.8 | 176.4 | -57.4 | 92.9 | 0 | 0 | 0 | 113.2 | ||||
| 9 | Q | 27.8 | Very low | 28.1 | Very low | 200 Ų | 200 | 153.9 Ų | 153.9 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -125.9 | 167.9 | 138.1 | -104.2 | -179.1 | -8.8 | 0 | 0 | 110.4 | ||||
| 10 | R | 26.4 | Very low | 28 | Very low | 227 Ų | 227 | 151.2 Ų | 151.2 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -139.7 | 176.3 | -147.8 | -153.7 | -172.2 | -162.7 | -175.9 | 7.3 | 111.4 | ||||
| 11 | E | 26.8 | Very low | 28 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 82 | 141.2 | 174.5 | -53.4 | 173.6 | -176.5 | 0 | 0 | 114 | ||||
| 12 | G | 25.6 | Very low | 28 | Very low | 80 Ų | 80 | 151 Ų | 151 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | cis | -144.3 | 173.1 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | D | 25.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -131.7 | 156.9 | -165.7 | -178.6 | 30.6 | 0 | 0 | 0 | 111.8 | ||||
| 14 | K | 28.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 73% | 0.726 | 79% | 0.788 | S | S | * | * | trans | 72 | 164.1 | 175.4 | -61.3 | 163 | -169 | 169 | 0 | 115.8 | ||||
| 15 | E | 26.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | cis | -145 | 159.3 | 14.7 | -157.7 | 165.2 | -98.5 | 0 | 0 | 113 | K17 | E15-K17 IonicContact OE2-NZ 2.8Š| ||
| 16 | L | 28.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -88 | 152.2 | 169.3 | -64.4 | 83.7 | 0 | 0 | 0 | 111 | ||||
| 17 | K | 26.7 | Very low | 27.1 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -157.6 | 158.4 | 139.3 | -114.2 | 149.1 | -164.1 | 153.8 | 0 | 115.3 | E15 | E15-K17 IonicContact OE2-NZ 2.8Š| ||
| 18 | D | 26.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -100.1 | -177.5 | -177.3 | -174.9 | 15.4 | 0 | 0 | 0 | 110.2 | ||||
| 19 | V | 26.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 142.8 | 94.8 | 150.8 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | S | 27.2 | Very low | 28.3 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | 60.6 | 143 | 122.5 | -49.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 21 | E | 28.3 | Very low | 28.4 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -40.3 | 155.2 | 165.4 | -51.9 | 168.3 | 120.2 | 0 | 0 | 118.1 | ||||
| 22 | E | 25.1 | Very low | 28.5 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -139.9 | 167.4 | 140.1 | -148.2 | 172.6 | -150.4 | 0 | 0 | 110.3 | ||||
| 23 | T | 27.1 | Very low | 29 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | trans | -136.6 | 167.5 | -151 | 59.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 24 | A | 27.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 68 | 155.9 | 170 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 25 | G | 25.3 | Very low | 29.4 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 150.9 | 125.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 26 | Q | 28.7 | Very low | 29.7 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -155.4 | 109.5 | 166.4 | -103.2 | 159 | 19.3 | 0 | 0 | 107.7 | ||||
| 27 | Q | 27.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | 85 | 102.3 | 62 | -165.6 | 174.6 | 48.3 | 0 | 0 | 112.8 | |||||
| 28 | V | 34.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -79 | 144.2 | -177.9 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 29 | R | 31.8 | Very low | 30.1 | Very low | 244 Ų | 244 | 147.9 Ų | 147.9 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 159 | 146.8 | -83.5 | -152 | 168.5 | 177.2 | -1.9 | 112.8 | ||||
| 30 | P | 42.6 | Very low | 30.3 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -127.4 | 175.6 | -151 | 42.8 | -29.4 | 0 | 0 | 0 | 115.4 | ||||
| 31 | S | 28.2 | Very low | 30.5 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -166.4 | 115.6 | 141.6 | -94.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 32 | T | 30.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | 61.9 | 156.4 | 137.9 | 45.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 33 | P | 35.5 | Very low | 31 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | trans | -116.6 | 173.8 | -152 | 42.5 | -32.8 | 0 | 0 | 0 | 115.6 | ||||
| 34 | S | 27 | Very low | 31.2 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -147.3 | 146.9 | 150.2 | -78.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 35 | P | 36.2 | Very low | 31.5 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -102.5 | 123.1 | -167.2 | 35.9 | -29.6 | 0 | 0 | 0 | 113.3 | ||||
| 36 | H | 32.2 | Very low | 32.3 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | -165 | 104.4 | 144.5 | -85.1 | -33.7 | 0 | 0 | 0 | 108.7 | ||||
| 37 | R | 29.3 | Very low | 33.3 | Very low | 231 Ų | 231 | 151 Ų | 151 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -126.2 | 104.9 | 169.6 | -159.5 | 179 | -162.5 | -172.1 | 4.6 | 108.3 | ||||
| 38 | Q | 31.6 | Very low | 34.2 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -66 | 141.6 | 166.4 | -71.6 | 171 | -43.1 | 0 | 0 | 108.5 | T40 | Q38-T40 VanDerWaalsContact C-N 3.34Å; Q38-T40 PolarHBondContact O-N 3.07Å | ||
| 39 | N | 29.8 | Very low | 35 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 86.4 | 179.4 | -81.7 | -10.8 | 0 | 0 | 0 | 110.7 | L41 | N39-L41 PolarHBondContact O-N 3.43Š| ||
| 40 | T | 31 | Very low | 37 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -69.4 | 106.5 | 157 | -30.6 | 0 | 0 | 0 | 0 | 107.4 | Q38 Q42 | Q38-T40 VanDerWaalsContact C-N 3.34Å; Q38-T40 PolarHBondContact O-N 3.07Å; T40-Q42 PolarHBondContact O-N 3.02Å; T40-Q42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | L | 30.8 | Very low | 38.1 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -57.2 | 119.3 | 171.2 | -73.7 | 166.4 | 0 | 0 | 0 | 108.4 | N39 A43 | N39-L41 PolarHBondContact O-N 3.43Å; L41-A43 PolarHBondContact O-N 3.22Å | ||
| 42 | Q | 30 | Very low | 39.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -71.8 | 111.8 | 177.3 | -68.4 | -171.2 | -66.5 | 0 | 0 | 108.7 | T40 S44 | T40-Q42 PolarHBondContact O-N 3.02Å; T40-Q42 VanDerWaalsContact O-N 3.15Å; Q42-S44 PolarHBondContact O-N 3.35Å | ||
| 43 | A | 33.3 | Very low | 41.8 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 125.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L41 | L41-A43 PolarHBondContact O-N 3.22Š|
| 44 | S | 31.2 | Very low | 43.1 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.1 | 173.5 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | Q42 | Q42-S44 PolarHBondContact O-N 3.35Š|
| 45 | P | 34.7 | Very low | 44.8 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.9 | 175.8 | 26.4 | -33.9 | 0 | 0 | 0 | 110.2 | R47 | P45-R47 PolarHBondContact O-N 2.76Š|
| 46 | P | 42.3 | Very low | 46.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.1 | -179.8 | 25.4 | -33.7 | 0 | 0 | 0 | 110 | L48 | P46-L48 PolarHBondContact O-N 3.4Å; P46-L48 VanDerWaalsContact O-N 3.17Å |
| 47 | R | 48.6 | Very low | 48.3 | Very low | 225 Ų | 225 | 127 Ų | 127 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | trans | -66.2 | 114 | 178.5 | -163.7 | 178.5 | -167.6 | 170.4 | 1.9 | 108.4 | P45 V49 | P45-R47 PolarHBondContact O-N 2.76Å; R47-V49 PolarHBondContact O-N 2.9Å | ||
| 48 | L | 46.9 | Very low | 50 | Low | 170 Ų | 170 | 118.6 Ų | 118.6 | 89% | 0.89 | 65% | 0.653 | S | S | * | * | trans | -65.8 | 101.9 | 176.4 | -68.4 | 173 | 0 | 0 | 0 | 109.1 | P46 S50 | P46-L48 PolarHBondContact O-N 3.4Å; P46-L48 VanDerWaalsContact O-N 3.17Å; L48-S50 PolarHBondContact O-N 3.32Å | ||
| 49 | V | 52 | Low | 52.1 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 46% | 0.461 | 63% | 0.634 | S | S | . | * | trans | -66.5 | 129.5 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | R47 E53 L54 | R47-V49 PolarHBondContact O-N 2.9Å; V49-E53 HydrophobicContact CG1-CB 3.94Å; V49-E53 HydrophobicContact CG1-CG 3.86Å; V49-L54 HydrophobicContact CB-CD2 4.34Å; V49-L54 HydrophobicContact CB-CG 4.44Å; V49-L54 HydrophobicContact CG1-CD2 3.75Å; V49-L54 HydrophobicContact CG1-CG 3.83Å | ||
| 50 | S | 73.6 | Confident | 54.2 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 61% | 0.606 | S | S | . | * | trans | -75.7 | 156.3 | -178.8 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | L48 E52 E53 L54 | L48-S50 PolarHBondContact O-N 3.32Å; S50-E52 PolarHBondContact O-N 3.34Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.19Å; S50-E53 PolarHBondContact OG-N 2.63Å; S50-L54 WeakPolarHBondContact O-CG 3.24Å; S50-L54 PolarHBondContact O-N 2.88Å | ||
| 51 | V | 66.1 | Low | 56.4 | Low | 108 Ų | 108 | 106.4 Ų | 106.4 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -35.7 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L54 M55 | V51-L54 PolarHBondContact O-N 3.21Å; V51-M55 HydrophobicContact CG1-SD 4.3Å; V51-M55 WeakPolarHBondContact O-CG 3.14Å; V51-M55 PolarHBondContact O-N 3.03Å |
| 52 | E | 65.8 | Low | 58.8 | Low | 99 Ų | 99 | 102.5 Ų | 102.5 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -42.6 | 174.8 | -163.6 | 60.8 | -135.5 | 0 | 0 | 111.5 | S50 L54 M55 E56 K59 | S50-E52 PolarHBondContact O-N 3.34Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.29Å; E52-M55 CarbonylContact O-C 3.56Å; E52-M55 PolarHBondContact O-N 3.17Å; E52-E56 HydrophobicContact CG-CG 4.43Å; E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.35Å; E52-K59 IonicContact OE1-NZ 3.66Å; E52-K59 PolarHBondContact OE1-NZ 3.3Å |
| 53 | E | 69.6 | Low | 61.4 | Low | 60 Ų | 60 | 98 Ų | 98 | 28% | 0.28 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -35.2 | 175.4 | -176.9 | 175.8 | -171.2 | 0 | 0 | 111.7 | V49 S50 T57 K244 | V49-E53 HydrophobicContact CG1-CB 3.94Å; V49-E53 HydrophobicContact CG1-CG 3.86Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 WeakPolarHBondContact OG-CB 3.19Å; S50-E53 PolarHBondContact OG-N 2.63Å; E53-T57 WeakPolarHBondContact O-CB 3.48Å; E53-T57 PolarHBondContact O-N 2.86Å; E53-T57 PolarHBondContact O-OG1 3.07Å; E53-K244 IonicContact OE1-NZ 3.86Å; E53-K244 PolarHBondContact OE1-NZ 3.11Å |
| 54 | L | 63.2 | Low | 63.9 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 171.2 | -68.9 | 174.1 | 0 | 0 | 0 | 111.8 | V49 S50 V51 E52 T57 A58 | V49-L54 HydrophobicContact CB-CD2 4.34Å; V49-L54 HydrophobicContact CB-CG 4.44Å; V49-L54 HydrophobicContact CG1-CD2 3.75Å; V49-L54 HydrophobicContact CG1-CG 3.83Å; S50-L54 WeakPolarHBondContact O-CG 3.24Å; S50-L54 PolarHBondContact O-N 2.88Å; V51-L54 PolarHBondContact O-N 3.21Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-N 3.44Å; L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.01Å |
| 55 | M | 62.8 | Low | 66.5 | Low | 94 Ų | 94 | 91.3 Ų | 91.3 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 178.4 | -73.7 | -177.9 | 67 | 0 | 0 | 112.7 | V51 E52 K59 | V51-M55 HydrophobicContact CG1-SD 4.3Å; V51-M55 WeakPolarHBondContact O-CG 3.14Å; V51-M55 PolarHBondContact O-N 3.03Å; E52-M55 CarbonylContact O-C 3.56Å; E52-M55 PolarHBondContact O-N 3.17Å; M55-K59 WeakPolarHBondContact O-CB 3.36Å; M55-K59 WeakPolarHBondContact O-CD 3.44Å; M55-K59 WeakPolarHBondContact O-CG 3.43Å; M55-K59 PolarHBondContact O-N 2.95Å |
| 56 | E | 73.6 | Confident | 68.9 | Low | 121 Ų | 121 | 89.9 Ų | 89.9 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 171.7 | -71.8 | -166.7 | 137.7 | 0 | 0 | 111.7 | E52 A58 K59 G60 | E52-E56 HydrophobicContact CG-CG 4.43Å; E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.35Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 3.03Å; E56-K59 PolarHBondContact O-N 3.22Å; E56-G60 PolarHBondContact O-N 3.23Å |
| 57 | T | 67.4 | Low | 71 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | E53 L54 G60 V61 | E53-T57 WeakPolarHBondContact O-CB 3.48Å; E53-T57 PolarHBondContact O-N 2.86Å; E53-T57 PolarHBondContact O-OG1 3.07Å; L54-T57 PolarHBondContact O-N 3.44Å; T57-G60 PolarHBondContact O-N 2.76Å; T57-V61 WeakPolarHBondContact O-CG2 3.45Å; T57-V61 PolarHBondContact O-N 2.92Å |
| 58 | A | 66.2 | Low | 73 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L54 E56 G60 V61 T62 | L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.01Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 3.03Å; A58-G60 VanDerWaalsContact C-N 3.27Å; A58-G60 PolarHBondContact O-N 2.81Å; A58-V61 PolarHBondContact O-N 3.23Å; A58-T62 PolarHBondContact O-N 2.88Å; A58-T62 PolarHBondContact O-OG1 3.44Å |
| 59 | K | 74.5 | Confident | 75 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 173.5 | -68.6 | 159.9 | -167.1 | 162.2 | 0 | 111.3 | E52 M55 E56 T62 N63 | E52-K59 IonicContact OE1-NZ 3.66Å; E52-K59 PolarHBondContact OE1-NZ 3.3Å; M55-K59 WeakPolarHBondContact O-CB 3.36Å; M55-K59 WeakPolarHBondContact O-CD 3.44Å; M55-K59 WeakPolarHBondContact O-CG 3.43Å; M55-K59 PolarHBondContact O-N 2.95Å; E56-K59 PolarHBondContact O-N 3.22Å; K59-T62 WeakPolarHBondContact CA-OG1 3.47Å; K59-T62 PolarHBondContact O-OG1 3.01Å; K59-N63 WeakPolarHBondContact O-CB 3.18Å; K59-N63 PolarHBondContact O-N 3.33Å; K59-N63 PolarHBondContact O-ND2 2.9Å; K59-N63 PolarHBondContact O-OD1 3.27Å |
| 60 | G | 73.7 | Confident | 76.7 | Confident | 24 Ų | 24 | 67 Ų | 67 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E56 T57 A58 N63 M64 | E56-G60 PolarHBondContact O-N 3.23Å; T57-G60 PolarHBondContact O-N 2.76Å; A58-G60 VanDerWaalsContact C-N 3.27Å; A58-G60 PolarHBondContact O-N 2.81Å; G60-N63 PolarHBondContact O-N 3.43Å; G60-M64 WeakPolarHBondContact O-CB 3.38Å; G60-M64 PolarHBondContact O-N 2.88Å |
| 61 | V | 77.4 | Confident | 77.4 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | T57 A58 N63 M64 A65 | T57-V61 WeakPolarHBondContact O-CG2 3.45Å; T57-V61 PolarHBondContact O-N 2.92Å; A58-V61 PolarHBondContact O-N 3.23Å; V61-N63 VanDerWaalsContact C-N 3.32Å; V61-N63 PolarHBondContact O-N 3.02Å; V61-M64 PolarHBondContact O-N 3.42Å; V61-A65 WeakPolarHBondContact O-CB 3.34Å; V61-A65 PolarHBondContact O-N 3.25Å |
| 62 | T | 80.9 | Confident | 78.3 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | A58 K59 L66 | A58-T62 PolarHBondContact O-N 2.88Å; A58-T62 PolarHBondContact O-OG1 3.44Å; K59-T62 WeakPolarHBondContact CA-OG1 3.47Å; K59-T62 PolarHBondContact O-OG1 3.01Å; T62-L66 VanDerWaalsContact O-CB 3.26Å; T62-L66 WeakPolarHBondContact O-CB 3.21Å; T62-L66 PolarHBondContact O-N 3.37Å |
| 63 | N | 84.6 | Confident | 79.3 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.5 | -36.5 | 177.3 | -69.2 | -8 | 0 | 0 | 0 | 112 | K59 G60 V61 A67 | K59-N63 WeakPolarHBondContact O-CB 3.18Å; K59-N63 PolarHBondContact O-N 3.33Å; K59-N63 PolarHBondContact O-ND2 2.9Å; K59-N63 PolarHBondContact O-OD1 3.27Å; G60-N63 PolarHBondContact O-N 3.43Å; V61-N63 VanDerWaalsContact C-N 3.32Å; V61-N63 PolarHBondContact O-N 3.02Å; N63-A67 WeakPolarHBondContact O-CB 3.28Å; N63-A67 PolarHBondContact O-N 3.42Å |
| 64 | M | 85.8 | Confident | 79.7 | Confident | 31 Ų | 31 | 62 Ų | 62 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 173.1 | -171.3 | -179.1 | 76.9 | 0 | 0 | 111.4 | G60 V61 L66 A67 H68 E234 K237 M307 | G60-M64 WeakPolarHBondContact O-CB 3.38Å; G60-M64 PolarHBondContact O-N 2.88Å; V61-M64 PolarHBondContact O-N 3.42Å; M64-L66 VanDerWaalsContact C-N 3.33Å; M64-L66 PolarHBondContact O-N 2.96Å; M64-A67 PolarHBondContact O-N 2.88Å; M64-H68 WeakPolarHBondContact O-CB 3.46Å; M64-H68 PolarHBondContact O-N 3.45Å; M64-E234 HydrophobicContact CG-CG 4.27Å; M64-E234 HydrophobicContact SD-CG 4.5Å; M64-K237 HydrophobicContact CG-CB 4.38Å; M64-K237 HydrophobicContact SD-CB 3.76Å; M64-M307 HydrophobicContact CE-CE 4.19Å; M64-M307 HydrophobicContact CE-SD 3.91Å |
| 65 | A | 85.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V61 H68 E69 M307 | V61-A65 WeakPolarHBondContact O-CB 3.34Å; V61-A65 PolarHBondContact O-N 3.25Å; A65-H68 PolarHBondContact O-N 3.48Å; A65-E69 WeakPolarHBondContact O-CB 3.34Å; A65-E69 WeakPolarHBondContact O-CG 3.44Å; A65-E69 PolarHBondContact O-N 3.33Å; A65-M307 HydrophobicContact CB-SD 4.41Å |
| 66 | L | 85.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 45% | 0.445 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 175.5 | 179.4 | 60.6 | 0 | 0 | 0 | 112.5 | T62 M64 E69 I70 F76 | T62-L66 VanDerWaalsContact O-CB 3.26Å; T62-L66 WeakPolarHBondContact O-CB 3.21Å; T62-L66 PolarHBondContact O-N 3.37Å; M64-L66 VanDerWaalsContact C-N 3.33Å; M64-L66 PolarHBondContact O-N 2.96Å; L66-E69 PolarHBondContact O-N 3.12Å; L66-I70 HydrophobicContact CD1-CD1 4.06Å; L66-I70 HydrophobicContact CD1-CG1 4.28Å; L66-I70 HydrophobicContact CG-CD1 3.95Å; L66-I70 WeakPolarHBondContact O-CB 3.42Å; L66-I70 WeakPolarHBondContact O-CD1 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.29Å; L66-I70 PolarHBondContact O-N 2.78Å; L66-F76 HydrophobicContact CD1-CE2 4.04Å; L66-F76 HydrophobicContact CD1-CZ 3.84Å |
| 67 | A | 86.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 21% | 0.207 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N63 M64 I70 M71 Y233 | N63-A67 WeakPolarHBondContact O-CB 3.28Å; N63-A67 PolarHBondContact O-N 3.42Å; M64-A67 PolarHBondContact O-N 2.88Å; A67-I70 PolarHBondContact O-N 2.98Å; A67-M71 WeakPolarHBondContact O-CG 3.32Å; A67-M71 PolarHBondContact O-N 2.97Å; A67-Y233 HydrophobicContact CB-CD1 4.04Å; A67-Y233 HydrophobicContact CB-CE1 3.9Å |
| 68 | H | 90.1 | Very high | 83 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.2 | -176.2 | 97.3 | 0 | 0 | 0 | 111.4 | M64 A65 I70 M71 V72 E234 M307 D308 Y468 | M64-H68 WeakPolarHBondContact O-CB 3.46Å; M64-H68 PolarHBondContact O-N 3.45Å; A65-H68 PolarHBondContact O-N 3.48Å; H68-I70 PolarHBondContact O-N 3Å; H68-M71 PolarHBondContact O-N 3.28Å; H68-M71 VanDerWaalsContact O-N 3.08Å; H68-V72 WeakPolarHBondContact O-CB 3.41Å; H68-V72 PolarHBondContact O-N 3.07Å; H68-E234 IonicContact CE1-OE1 3.46Å; H68-E234 IonicContact CG-OE2 3.88Å; H68-E234 VanDerWaalsContact ND1-CD 3.3Å; H68-E234 IonicContact ND1-OE1 3.84Å; H68-E234 PolarHBondContact ND1-OE1 2.84Å; H68-E234 IonicContact ND1-OE2 2.67Å; H68-E234 PolarHBondContact ND1-OE2 3.03Å; H68-M307 HydrophobicContact CB-CE 4.06Å; H68-M307 HydrophobicContact CB-SD 4.06Å; H68-M307 WeakPolarHBondContact ND1-CE 3.34Å; H68-D308 IonicContact CE1-OD2 2.83Å; H68-D308 IonicContact NE2-OD1 2.71Å; H68-D308 PolarHBondContact NE2-OD1 3.48Å; H68-D308 IonicContact NE2-OD2 2.8Å; H68-Y468 AromaticContact ND1-CE1 3.72Å |
| 69 | E | 89.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 175.6 | -81.5 | -51.5 | 103.9 | 0 | 0 | 112.7 | A65 L66 M71 N73 F76 R311 | A65-E69 WeakPolarHBondContact O-CB 3.34Å; A65-E69 WeakPolarHBondContact O-CG 3.44Å; A65-E69 PolarHBondContact O-N 3.33Å; L66-E69 PolarHBondContact O-N 3.12Å; E69-M71 PolarHBondContact O-N 3.11Å; E69-M71 VanDerWaalsContact O-N 3.09Å; E69-N73 VanDerWaalsContact O-CB 3.23Å; E69-N73 WeakPolarHBondContact O-CB 3.32Å; E69-N73 PolarHBondContact O-N 3.46Å; E69-N73 PolarHBondContact OE2-ND2 3.45Å; E69-F76 HydrophobicContact CB-CD2 4.04Å; E69-F76 HydrophobicContact CB-CE2 4.09Å; E69-R311 IonicContact OE1-CZ 2.79Å; E69-R311 IonicContact OE1-NH1 2.68Å; E69-R311 PolarHBondContact OE1-NH1 3.25Å; E69-R311 IonicContact OE1-NH2 3.56Å; E69-R311 PolarHBondContact OE1-NH2 2.74Å; E69-R311 IonicContact OE2-CZ 2.84Å; E69-R311 IonicContact OE2-NH2 3.48Å; E69-R311 PolarHBondContact OE2-NH2 2.92Å |
| 70 | I | 87 | Confident | 83.8 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.1 | -31.5 | 176.6 | -78.6 | 167.2 | 0 | 0 | 0 | 111.5 | L66 A67 H68 F76 L219 K223 | L66-I70 HydrophobicContact CD1-CD1 4.06Å; L66-I70 HydrophobicContact CD1-CG1 4.28Å; L66-I70 HydrophobicContact CG-CD1 3.95Å; L66-I70 WeakPolarHBondContact O-CB 3.42Å; L66-I70 WeakPolarHBondContact O-CD1 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.29Å; L66-I70 PolarHBondContact O-N 2.78Å; A67-I70 PolarHBondContact O-N 2.98Å; H68-I70 PolarHBondContact O-N 3Å; I70-F76 HydrophobicContact CD1-CZ 4.45Å; I70-F76 HydrophobicContact CG1-CD1 4.09Å; I70-F76 HydrophobicContact CG1-CE1 3.67Å; I70-F76 HydrophobicContact CG1-CE2 4.13Å; I70-F76 HydrophobicContact CG1-CZ 3.69Å; I70-L219 HydrophobicContact CG1-CD2 4.49Å; I70-L219 HydrophobicContact CG2-CD1 3.84Å; I70-K223 WeakPolarHBondContact O-CD 3.45Å; I70-K223 WeakPolarHBondContact O-CE 3.41Å; I70-K223 PolarHBondContact O-NZ 3.07Å |
| 71 | M | 87.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -93.5 | -52.9 | -176.9 | -67.2 | -57.1 | -49.5 | 0 | 0 | 113.5 | A67 H68 E69 K223 L226 M227 S230 Y468 | A67-M71 WeakPolarHBondContact O-CG 3.32Å; A67-M71 PolarHBondContact O-N 2.97Å; H68-M71 PolarHBondContact O-N 3.28Å; H68-M71 VanDerWaalsContact O-N 3.08Å; E69-M71 PolarHBondContact O-N 3.11Å; E69-M71 VanDerWaalsContact O-N 3.09Å; M71-K223 HydrophobicContact CE-CG 4.14Å; M71-K223 WeakPolarHBondContact O-CE 3.48Å; M71-K223 PolarHBondContact O-NZ 3.49Å; M71-K223 HydrophobicContact SD-CG 4.1Å; M71-L226 HydrophobicContact SD-CB 3.88Å; M71-M227 HydrophobicContact CE-CB 3.96Å; M71-M227 HydrophobicContact CE-CE 3.51Å; M71-M227 HydrophobicContact CE-CG 4.45Å; M71-M227 HydrophobicContact CE-SD 3.7Å; M71-S230 WeakPolarHBondContact CG-OG 3.39Å; M71-Y468 HydrophobicContact CB-CE2 4.01Å |
| 72 | V | 86.4 | Confident | 83.3 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.6 | -45.1 | -175 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | H68 K74 L465 Y468 | H68-V72 WeakPolarHBondContact O-CB 3.41Å; H68-V72 PolarHBondContact O-N 3.07Å; V72-K74 PolarHBondContact O-N 3.4Å; V72-L465 HydrophobicContact CG1-CD1 3.3Å; V72-Y468 HydrophobicContact CG2-CD1 3.33Å; V72-Y468 HydrophobicContact CG2-CE1 3.7Å; V72-Y468 HydrophobicContact CG2-CG 3.83Å |
| 73 | N | 85.4 | Confident | 82.9 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | trans | -75.6 | 110.6 | -177.9 | -172.4 | -15.2 | 0 | 0 | 0 | 109.9 | E69 D75 F76 K223 | E69-N73 VanDerWaalsContact O-CB 3.23Å; E69-N73 WeakPolarHBondContact O-CB 3.32Å; E69-N73 PolarHBondContact O-N 3.46Å; E69-N73 PolarHBondContact OE2-ND2 3.45Å; N73-D75 PolarHBondContact O-N 3.35Å; N73-D75 PolarHBondContact OD1-N 2.96Å; N73-D75 VanDerWaalsContact OD1-N 3.1Å; N73-F76 HydrophobicContact CB-CB 4.05Å; N73-F76 WeakPolarHBondContact O-CB 3.36Å; N73-F76 PolarHBondContact OD1-N 3.46Å; N73-K223 PolarHBondContact O-NZ 3.36Å | ||
| 74 | K | 79.3 | Confident | 82.5 | Confident | 129 Ų | 129 | 68 Ų | 68 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -38.4 | 179.6 | 174.2 | -177 | 153.6 | -78.6 | 0 | 111.6 | V72 | V72-K74 PolarHBondContact O-N 3.4Š|
| 75 | D | 82.3 | Confident | 81.7 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 13.2 | -168.4 | -58.9 | -65.9 | 0 | 0 | 0 | 111.8 | N73 Q77 | N73-D75 PolarHBondContact O-N 3.35Å; N73-D75 PolarHBondContact OD1-N 2.96Å; N73-D75 VanDerWaalsContact OD1-N 3.1Å; D75-Q77 PolarHBondContact O-N 3.38Å |
| 76 | F | 85.4 | Confident | 81 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 19% | 0.193 | 42% | 0.418 | C | S | . | . | trans | -49.9 | 128 | 167.6 | -176.2 | -83.5 | 0 | 0 | 0 | 110.6 | L66 E69 I70 N73 V78 L219 | L66-F76 HydrophobicContact CD1-CE2 4.04Å; L66-F76 HydrophobicContact CD1-CZ 3.84Å; E69-F76 HydrophobicContact CB-CD2 4.04Å; E69-F76 HydrophobicContact CB-CE2 4.09Å; I70-F76 HydrophobicContact CD1-CZ 4.45Å; I70-F76 HydrophobicContact CG1-CD1 4.09Å; I70-F76 HydrophobicContact CG1-CE1 3.67Å; I70-F76 HydrophobicContact CG1-CE2 4.13Å; I70-F76 HydrophobicContact CG1-CZ 3.69Å; N73-F76 HydrophobicContact CB-CB 4.05Å; N73-F76 WeakPolarHBondContact O-CB 3.36Å; N73-F76 PolarHBondContact OD1-N 3.46Å; F76-V78 HydrophobicContact CE1-CG2 4.34Å; F76-L219 HydrophobicContact CD1-CD2 3.62Å; F76-L219 HydrophobicContact CE1-CD2 3.65Å | ||
| 77 | Q | 84.1 | Confident | 80.9 | Confident | 107 Ų | 107 | 75 Ų | 75 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | trans | -138.3 | 135.9 | 173.5 | -71.1 | 173.6 | 72.8 | 0 | 0 | 109.1 | D75 K79 N216 | D75-Q77 PolarHBondContact O-N 3.38Å; Q77-K79 PolarHBondContact O-N 2.96Å; Q77-N216 WeakPolarHBondContact CA-OD1 3.44Å; Q77-N216 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 78 | V | 84.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 123.9 | 162.8 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | F76 V212 N216 L219 | F76-V78 HydrophobicContact CE1-CG2 4.34Å; V78-V212 WeakPolarHBondContact O-CG1 3.37Å; V78-N216 PolarHBondContact N-OD1 2.91Å; V78-N216 PolarHBondContact O-ND2 3.34Å; V78-L219 HydrophobicContact CG2-CD2 4.41Å |
| 79 | K | 80.7 | Confident | 80.4 | Confident | 169 Ų | 169 | 86.4 Ų | 86.4 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 157 | 174.1 | -66.4 | -173.7 | 178.6 | -176.3 | 0 | 110.1 | Q77 | Q77-K79 PolarHBondContact O-N 2.96Š|
| 80 | P | 76.1 | Confident | 80.1 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 147.2 | 164.7 | -20.9 | 33 | 0 | 0 | 0 | 111.3 | E82 V212 | P80-E82 VanDerWaalsContact C-N 3.33Å; P80-E82 PolarHBondContact O-N 3.2Å; P80-V212 HydrophobicContact CG-CG2 4.34Å |
| 81 | T | 72.3 | Confident | 80 | Confident | 119 Ų | 119 | 93.6 Ų | 93.6 | 73% | 0.73 | 49% | 0.486 | S | S | * | . | trans | -76.9 | 84.5 | 176.2 | -47 | 0 | 0 | 0 | 0 | 110.7 | L83 | T81-L83 PolarHBondContact O-N 2.83Š| ||
| 82 | E | 67.5 | Low | 79.9 | Confident | 162 Ų | 162 | 97 Ų | 97 | 76% | 0.757 | 51% | 0.508 | S | S | * | . | trans | -74.7 | 115.3 | 171.7 | -71.3 | 165.8 | -164.5 | 0 | 0 | 109.6 | P80 | P80-E82 VanDerWaalsContact C-N 3.33Å; P80-E82 PolarHBondContact O-N 3.2Å | ||
| 83 | L | 73.2 | Confident | 79.9 | Confident | 30 Ų | 30 | 100.7 Ų | 100.7 | 16% | 0.157 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 139.9 | 172.2 | -67.6 | 175.2 | 0 | 0 | 0 | 109.1 | T81 E85 E89 H90 K93 | T81-L83 PolarHBondContact O-N 2.83Å; L83-E85 PolarHBondContact O-N 3.38Å; L83-E89 HydrophobicContact CD1-CB 4.2Å; L83-E89 HydrophobicContact CD1-CG 3.8Å; L83-E89 HydrophobicContact CD2-CG 4.47Å; L83-H90 HydrophobicContact CB-CB 4.04Å; L83-K93 HydrophobicContact CD1-CD 3.68Å |
| 84 | P | 75.8 | Confident | 79.9 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 132.7 | -179.4 | -26.7 | 34.6 | 0 | 0 | 0 | 112.5 | G86 S87 | P84-G86 PolarHBondContact O-N 3.14Å; P84-S87 WeakPolarHBondContact O-CB 3.35Å; P84-S87 PolarHBondContact O-N 3.3Å; P84-S87 PolarHBondContact O-OG 3.35Å |
| 85 | E | 68.9 | Low | 80.4 | Confident | 187 Ų | 187 | 102 Ų | 102 | 87% | 0.874 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 137.7 | 178.6 | -64.8 | -170.3 | 156.9 | 0 | 0 | 110.9 | L83 S87 | L83-E85 PolarHBondContact O-N 3.38Å; E85-S87 PolarHBondContact O-N 2.89Å |
| 86 | G | 71.5 | Confident | 80.6 | Confident | 77 Ų | 77 | 104.3 Ų | 104.3 | 79% | 0.794 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -4.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P84 | P84-G86 PolarHBondContact O-N 3.14Š|
| 87 | S | 84.9 | Confident | 80.7 | Confident | 33 Ų | 33 | 107.8 Ų | 107.8 | 23% | 0.231 | 55% | 0.551 | C | S | . | * | trans | -62.4 | 149.2 | 172.6 | 65.6 | 0 | 0 | 0 | 0 | 112 | P84 E85 E89 H90 R91 | P84-S87 WeakPolarHBondContact O-CB 3.35Å; P84-S87 PolarHBondContact O-N 3.3Å; P84-S87 PolarHBondContact O-OG 3.35Å; E85-S87 PolarHBondContact O-N 2.89Å; S87-E89 VanDerWaalsContact C-N 3.26Å; S87-E89 PolarHBondContact O-N 2.68Å; S87-H90 PolarHBondContact O-N 2.98Å; S87-H90 WeakPolarHBondContact OG-CB 3.43Å; S87-H90 PolarHBondContact OG-N 3.24Å; S87-R91 PolarHBondContact O-N 3.21Å | ||
| 88 | L | 83.3 | Confident | 81 | Confident | 141 Ų | 141 | 109 Ų | 109 | 74% | 0.738 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.7 | -40.8 | 177.3 | 179.7 | 61.8 | 0 | 0 | 0 | 111.3 | R91 V92 | L88-R91 PolarHBondContact O-N 3.29Å; L88-V92 HydrophobicContact CD1-CG2 4.13Å; L88-V92 HydrophobicContact CG-CG2 4.38Å; L88-V92 WeakPolarHBondContact O-CB 3.44Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 3.35Å |
| 89 | E | 81.8 | Confident | 81.3 | Confident | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -45.7 | 178.4 | -164.7 | -170.7 | 155.1 | 0 | 0 | 111.9 | L83 S87 R91 V92 K93 | L83-E89 HydrophobicContact CD1-CB 4.2Å; L83-E89 HydrophobicContact CD1-CG 3.8Å; L83-E89 HydrophobicContact CD2-CG 4.47Å; S87-E89 VanDerWaalsContact C-N 3.26Å; S87-E89 PolarHBondContact O-N 2.68Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.06Å; E89-V92 PolarHBondContact O-N 3.34Å; E89-K93 VanDerWaalsContact O-CB 3.25Å; E89-K93 WeakPolarHBondContact O-CB 3.31Å; E89-K93 PolarHBondContact O-N 2.76Å |
| 90 | H | 84.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 104.1 Ų | 104.1 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.9 | -50.1 | 173.4 | -178.2 | -70 | 0 | 0 | 0 | 110.7 | L83 S87 V92 K93 E94 | L83-H90 HydrophobicContact CB-CB 4.04Å; S87-H90 PolarHBondContact O-N 2.98Å; S87-H90 WeakPolarHBondContact OG-CB 3.43Å; S87-H90 PolarHBondContact OG-N 3.24Å; H90-V92 PolarHBondContact O-N 2.96Å; H90-K93 PolarHBondContact O-N 3.44Å; H90-E94 IonicContact CE1-OE2 2.66Å; H90-E94 PolarHBondContact CE1-OE2 2.99Å; H90-E94 IonicContact ND1-OE2 2.64Å; H90-E94 VanDerWaalsContact O-CB 3.32Å; H90-E94 WeakPolarHBondContact O-CB 3.27Å; H90-E94 PolarHBondContact O-N 3.48Å |
| 91 | R | 84.1 | Confident | 82.5 | Confident | 167 Ų | 167 | 102.2 Ų | 102.2 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | -177.2 | -167.7 | 174.1 | -176.2 | 178.1 | 1.4 | 112.7 | S87 L88 E89 I95 | S87-R91 PolarHBondContact O-N 3.21Å; L88-R91 PolarHBondContact O-N 3.29Å; E89-R91 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.06Å; R91-I95 HydrophobicContact CG-CD1 3.99Å; R91-I95 WeakPolarHBondContact O-CB 3.22Å; R91-I95 WeakPolarHBondContact O-CD1 3.39Å; R91-I95 WeakPolarHBondContact O-CG1 3.18Å; R91-I95 PolarHBondContact O-N 3.48Å |
| 92 | V | 86.8 | Confident | 83.4 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.2 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | L88 E89 H90 E94 I95 M96 | L88-V92 HydrophobicContact CD1-CG2 4.13Å; L88-V92 HydrophobicContact CG-CG2 4.38Å; L88-V92 WeakPolarHBondContact O-CB 3.44Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 3.35Å; E89-V92 PolarHBondContact O-N 3.34Å; H90-V92 PolarHBondContact O-N 2.96Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 3.14Å; V92-I95 PolarHBondContact O-N 3.49Å; V92-M96 VanDerWaalsContact O-CB 3.28Å; V92-M96 WeakPolarHBondContact O-CB 3.25Å; V92-M96 PolarHBondContact O-N 3.28Å |
| 93 | K | 85 | Confident | 84.4 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.5 | -173 | 177.7 | -175.5 | 176.4 | 0 | 112 | L83 E89 H90 R97 | L83-K93 HydrophobicContact CD1-CD 3.68Å; E89-K93 VanDerWaalsContact O-CB 3.25Å; E89-K93 WeakPolarHBondContact O-CB 3.31Å; E89-K93 PolarHBondContact O-N 2.76Å; H90-K93 PolarHBondContact O-N 3.44Å; K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 WeakPolarHBondContact O-CG 3.47Å; K93-R97 PolarHBondContact O-N 3.43Å |
| 94 | E | 86.7 | Confident | 85.3 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -50.6 | 176.7 | -171.6 | -171.5 | 163.9 | 0 | 0 | 111.9 | H90 V92 M96 R97 K98 | H90-E94 IonicContact CE1-OE2 2.66Å; H90-E94 PolarHBondContact CE1-OE2 2.99Å; H90-E94 IonicContact ND1-OE2 2.64Å; H90-E94 VanDerWaalsContact O-CB 3.32Å; H90-E94 WeakPolarHBondContact O-CB 3.27Å; H90-E94 PolarHBondContact O-N 3.48Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 3.14Å; E94-M96 VanDerWaalsContact C-N 3.32Å; E94-M96 PolarHBondContact O-N 2.95Å; E94-R97 PolarHBondContact O-N 2.99Å; E94-K98 PolarHBondContact O-N 2.97Å |
| 95 | I | 89 | Confident | 86 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.8 | -70 | 166.9 | 0 | 0 | 0 | 110.6 | R91 V92 K98 V99 | R91-I95 HydrophobicContact CG-CD1 3.99Å; R91-I95 WeakPolarHBondContact O-CB 3.22Å; R91-I95 WeakPolarHBondContact O-CD1 3.39Å; R91-I95 WeakPolarHBondContact O-CG1 3.18Å; R91-I95 PolarHBondContact O-N 3.48Å; V92-I95 PolarHBondContact O-N 3.49Å; I95-K98 PolarHBondContact O-N 3.24Å; I95-V99 HydrophobicContact CG2-CG2 4.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.37Å |
| 96 | M | 87.4 | Confident | 87 | Confident | 144 Ų | 144 | 92.5 Ų | 92.5 | 71% | 0.709 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 179.5 | -170.8 | 174.7 | -176.7 | 0 | 0 | 112 | V92 E94 K98 F100 | V92-M96 VanDerWaalsContact O-CB 3.28Å; V92-M96 WeakPolarHBondContact O-CB 3.25Å; V92-M96 PolarHBondContact O-N 3.28Å; E94-M96 VanDerWaalsContact C-N 3.32Å; E94-M96 PolarHBondContact O-N 2.95Å; M96-K98 VanDerWaalsContact C-N 3.33Å; M96-K98 PolarHBondContact O-N 3.29Å; M96-F100 WeakPolarHBondContact O-CB 3.37Å; M96-F100 PolarHBondContact O-N 2.89Å |
| 97 | R | 87.1 | Confident | 87.8 | Confident | 118 Ų | 118 | 90.1 Ų | 90.1 | 45% | 0.445 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 172.5 | -74.2 | -178.6 | 91 | -169.2 | 8.8 | 111.3 | K93 E94 F100 W101 | K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 WeakPolarHBondContact O-CG 3.47Å; K93-R97 PolarHBondContact O-N 3.43Å; E94-R97 PolarHBondContact O-N 2.99Å; R97-F100 PolarHBondContact O-N 2.86Å; R97-W101 PolarHBondContact O-N 3.44Å; R97-W101 VanDerWaalsContact O-N 3.12Å |
| 98 | K | 89.7 | Confident | 87.9 | Confident | 131 Ų | 131 | 90 Ų | 90 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.9 | -56 | 177.1 | -176 | 177.9 | 176.8 | -175 | 0 | 111.2 | E94 I95 M96 F100 W101 D102 | E94-K98 PolarHBondContact O-N 2.97Å; I95-K98 PolarHBondContact O-N 3.24Å; M96-K98 VanDerWaalsContact C-N 3.33Å; M96-K98 PolarHBondContact O-N 3.29Å; K98-F100 PolarHBondContact O-N 3.49Å; K98-F100 VanDerWaalsContact O-N 3.11Å; K98-W101 PolarHBondContact O-N 3.38Å; K98-D102 WeakPolarHBondContact CE-OD1 3.48Å; K98-D102 WeakPolarHBondContact CE-OD2 3.32Å; K98-D102 WeakPolarHBondContact CG-OD1 3.3Å; K98-D102 WeakPolarHBondContact CG-OD2 3.24Å; K98-D102 WeakPolarHBondContact O-CB 3.23Å; K98-D102 PolarHBondContact O-N 2.91Å |
| 99 | V | 90.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.4 | -31.8 | 179.8 | 171 | 0 | 0 | 0 | 0 | 112.2 | I95 R103 | I95-V99 HydrophobicContact CG2-CG2 4.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.37Å; V99-R103 WeakPolarHBondContact O-CB 3.42Å; V99-R103 WeakPolarHBondContact O-CD 3.45Å; V99-R103 WeakPolarHBondContact O-CG 3.49Å; V99-R103 PolarHBondContact O-N 2.88Å |
| 100 | F | 90.8 | Very high | 88.5 | Confident | 66 Ų | 66 | 88 Ų | 88 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.9 | -51 | 172.6 | 177.9 | -88.9 | 0 | 0 | 0 | 112.9 | M96 R97 K98 R103 L104 H117 L121 | M96-F100 WeakPolarHBondContact O-CB 3.37Å; M96-F100 PolarHBondContact O-N 2.89Å; R97-F100 PolarHBondContact O-N 2.86Å; K98-F100 PolarHBondContact O-N 3.49Å; K98-F100 VanDerWaalsContact O-N 3.11Å; F100-R103 PolarHBondContact O-N 3.22Å; F100-L104 PolarHBondContact O-N 2.7Å; F100-H117 AromaticContact CE2-CD2 3.95Å; F100-L121 HydrophobicContact CE1-CD1 3.87Å; F100-L121 HydrophobicContact CE1-CD2 3.81Å; F100-L121 HydrophobicContact CE1-CG 4.19Å; F100-L121 HydrophobicContact CZ-CD1 3.9Å; F100-L121 HydrophobicContact CZ-CD2 3.68Å; F100-L121 HydrophobicContact CZ-CG 3.86Å |
| 101 | W | 91.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 92.8 Ų | 92.8 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 179.2 | -65.3 | 117.6 | 0 | 0 | 0 | 112.3 | R97 K98 R103 L104 E105 L121 V197 L200 K201 F204 | R97-W101 PolarHBondContact O-N 3.44Å; R97-W101 VanDerWaalsContact O-N 3.12Å; K98-W101 PolarHBondContact O-N 3.38Å; W101-R103 PolarHBondContact O-N 2.93Å; W101-L104 HydrophobicContact CE3-CD2 3.71Å; W101-L104 HydrophobicContact CZ3-CD2 3.65Å; W101-L104 PolarHBondContact O-N 3.24Å; W101-E105 WeakPolarHBondContact O-CB 3.23Å; W101-E105 PolarHBondContact O-N 3.35Å; W101-L121 HydrophobicContact CH2-CD1 4.19Å; W101-L121 HydrophobicContact CH2-CD2 4.33Å; W101-L121 HydrophobicContact CZ3-CD1 3.83Å; W101-V197 HydrophobicContact CE3-CG1 3.98Å; W101-L200 HydrophobicContact CH2-CB 4.38Å; W101-L200 HydrophobicContact CZ3-CB 4.11Å; W101-K201 HydrophobicContact CD2-CB 4.16Å; W101-K201 HydrophobicContact CD2-CD 4.25Å; W101-K201 HydrophobicContact CD2-CG 4.26Å; W101-K201 HydrophobicContact CE3-CB 4.31Å; W101-K201 HydrophobicContact CG-CD 4.16Å; W101-K201 HydrophobicContact CH2-CB 4.06Å; W101-K201 HydrophobicContact CZ2-CB 3.9Å; W101-K201 HydrophobicContact CZ2-CG 4.06Å; W101-K201 HydrophobicContact CZ3-CB 4.25Å; W101-F204 HydrophobicContact CH2-CD2 4.35Å |
| 102 | D | 90.8 | Very high | 88.1 | Confident | 76 Ų | 76 | 90 Ų | 90 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 175.2 | -64 | 4.7 | 0 | 0 | 0 | 111.2 | K98 A106 | K98-D102 WeakPolarHBondContact CE-OD1 3.48Å; K98-D102 WeakPolarHBondContact CE-OD2 3.32Å; K98-D102 WeakPolarHBondContact CG-OD1 3.3Å; K98-D102 WeakPolarHBondContact CG-OD2 3.24Å; K98-D102 WeakPolarHBondContact O-CB 3.23Å; K98-D102 PolarHBondContact O-N 2.91Å; D102-A106 PolarHBondContact O-N 3.34Å; D102-A106 VanDerWaalsContact O-N 3.07Å |
| 103 | R | 89.6 | Confident | 88.1 | Confident | 161 Ų | 161 | 88.3 Ų | 88.3 | 61% | 0.608 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.4 | -39.3 | 175.4 | -78.3 | 173.6 | 179.5 | -164.4 | 0.3 | 113.5 | V99 F100 W101 E105 A106 Q107 | V99-R103 WeakPolarHBondContact O-CB 3.42Å; V99-R103 WeakPolarHBondContact O-CD 3.45Å; V99-R103 WeakPolarHBondContact O-CG 3.49Å; V99-R103 PolarHBondContact O-N 2.88Å; F100-R103 PolarHBondContact O-N 3.22Å; W101-R103 PolarHBondContact O-N 2.93Å; R103-E105 VanDerWaalsContact C-N 3.3Å; R103-A106 PolarHBondContact O-N 2.82Å; R103-Q107 PolarHBondContact O-N 2.88Å |
| 104 | L | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.3 | -178.3 | 71.3 | 0 | 0 | 0 | 110.7 | F100 W101 Q107 L108 H117 A118 L121 V197 L200 | F100-L104 PolarHBondContact O-N 2.7Å; W101-L104 HydrophobicContact CE3-CD2 3.71Å; W101-L104 HydrophobicContact CZ3-CD2 3.65Å; W101-L104 PolarHBondContact O-N 3.24Å; L104-Q107 PolarHBondContact O-N 3.31Å; L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.05Å; L104-L108 WeakPolarHBondContact O-CG 3.32Å; L104-L108 PolarHBondContact O-N 3.14Å; L104-H117 HydrophobicContact CD1-CB 3.72Å; L104-A118 HydrophobicContact CD1-CB 4.14Å; L104-L121 HydrophobicContact CD1-CD1 4.32Å; L104-L121 HydrophobicContact CD2-CD1 3.57Å; L104-V197 HydrophobicContact CD2-CG1 4.35Å; L104-V197 HydrophobicContact CD2-CG2 4Å; L104-V197 HydrophobicContact CG-CG2 4.06Å; L104-L200 HydrophobicContact CD2-CD1 4.2Å |
| 105 | E | 91 | Very high | 88.2 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.4 | -171.3 | 163.7 | -141.5 | 0 | 0 | 111.8 | W101 R103 N109 V197 | W101-E105 WeakPolarHBondContact O-CB 3.23Å; W101-E105 PolarHBondContact O-N 3.35Å; R103-E105 VanDerWaalsContact C-N 3.3Å; E105-N109 PolarHBondContact O-N 3.36Å; E105-N109 PolarHBondContact O-ND2 2.84Å; E105-V197 HydrophobicContact CB-CG1 4.45Å; E105-V197 HydrophobicContact CB-CG2 4.22Å |
| 106 | A | 90.5 | Very high | 88.1 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D102 R103 L108 N109 E110 | D102-A106 PolarHBondContact O-N 3.34Å; D102-A106 VanDerWaalsContact O-N 3.07Å; R103-A106 PolarHBondContact O-N 2.82Å; A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 PolarHBondContact O-N 3.5Å; A106-N109 CarbonylContact O-C 3.52Å; A106-N109 PolarHBondContact O-N 3.44Å; A106-E110 PolarHBondContact O-N 3.28Å |
| 107 | Q | 88.9 | Confident | 88.1 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | -177.8 | -81.7 | -163.2 | -31.3 | 0 | 0 | 113.8 | R103 L104 N109 E110 S114 H117 | R103-Q107 PolarHBondContact O-N 2.88Å; L104-Q107 PolarHBondContact O-N 3.31Å; Q107-N109 PolarHBondContact O-N 2.91Å; Q107-E110 PolarHBondContact O-N 3.47Å; Q107-S114 PolarHBondContact O-N 2.71Å; Q107-H117 PolarHBondContact OE1-ND1 3.33Å |
| 108 | L | 87.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.1 | -10.6 | 177.7 | -67.6 | 172.5 | 0 | 0 | 0 | 113.5 | L104 A106 Y115 I164 I196 V197 | L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.05Å; L104-L108 WeakPolarHBondContact O-CG 3.32Å; L104-L108 PolarHBondContact O-N 3.14Å; A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 PolarHBondContact O-N 3.5Å; L108-Y115 HydrophobicContact CD2-CD1 3.57Å; L108-Y115 HydrophobicContact CD2-CE1 3.71Å; L108-I164 HydrophobicContact CD2-CD1 4.06Å; L108-I196 HydrophobicContact CD1-CG2 4.02Å; L108-V197 HydrophobicContact CD1-CG2 3.67Å |
| 109 | N | 87.9 | Confident | 88.2 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6.9 | 174.2 | -73.3 | -73.4 | 0 | 0 | 0 | 113.1 | E105 A106 Q107 | E105-N109 PolarHBondContact O-N 3.36Å; E105-N109 PolarHBondContact O-ND2 2.84Å; A106-N109 CarbonylContact O-C 3.52Å; A106-N109 PolarHBondContact O-N 3.44Å; Q107-N109 PolarHBondContact O-N 2.91Å |
| 110 | E | 89 | Confident | 88.2 | Confident | 96 Ų | 96 | 68 Ų | 68 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70.6 | 157.8 | 168.9 | -72.9 | 167.2 | -177.1 | 0 | 0 | 110.8 | A106 Q107 P112 P113 S114 | A106-E110 PolarHBondContact O-N 3.28Å; Q107-E110 PolarHBondContact O-N 3.47Å; E110-P112 VanDerWaalsContact C-C 3.5Å; E110-P112 CarbonylContact C-O 3.49Å; E110-P112 CarbonylContact O-C 3.24Å; E110-P112 VanDerWaalsContact O-C 3.24Å; E110-P113 WeakPolarHBondContact O-CA 3.39Å; E110-S114 VanDerWaalsContact OE2-CB 3.24Å; E110-S114 WeakPolarHBondContact OE2-CB 3.25Å |
| 111 | D | 81.1 | Confident | 88.2 | Confident | 167 Ų | 167 | 65 Ų | 65 | 89% | 0.893 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -124.6 | 106.3 | 174.3 | -175.7 | 18.1 | 0 | 0 | 0 | 109.7 | ||
| 112 | P | 79.6 | Confident | 88.2 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | S | Bend | cis | -70.8 | 154.2 | -3.8 | 31.8 | -36.4 | 0 | 0 | 0 | 112.7 | E110 | E110-P112 VanDerWaalsContact C-C 3.5Å; E110-P112 CarbonylContact C-O 3.49Å; E110-P112 CarbonylContact O-C 3.24Å; E110-P112 VanDerWaalsContact O-C 3.24Å |
| 113 | P | 85.4 | Confident | 88.3 | Confident | 47 Ų | 47 | 61 Ų | 61 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 138.7 | -176.1 | 27 | -35.5 | 0 | 0 | 0 | 112.6 | E110 Y115 | E110-P113 WeakPolarHBondContact O-CA 3.39Å; P113-Y115 HydrophobicContact CB-CE1 4.47Å; P113-Y115 HydrophobicContact CG-CE2 4.11Å; P113-Y115 WeakPolarHBondContact CG-OH 3.27Å |
| 114 | S | 87.5 | Confident | 88.5 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 126.1 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | Q107 E110 | Q107-S114 PolarHBondContact O-N 2.71Å; E110-S114 VanDerWaalsContact OE2-CB 3.24Å; E110-S114 WeakPolarHBondContact OE2-CB 3.25Å |
| 115 | Y | 87 | Confident | 88.6 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -103.1 | 2.4 | -175.2 | -62.8 | -63.2 | 0 | 0 | 0 | 114.1 | L108 P113 H117 A118 I119 A157 L162 I164 | L108-Y115 HydrophobicContact CD2-CD1 3.57Å; L108-Y115 HydrophobicContact CD2-CE1 3.71Å; P113-Y115 HydrophobicContact CB-CE1 4.47Å; P113-Y115 HydrophobicContact CG-CE2 4.11Å; P113-Y115 WeakPolarHBondContact CG-OH 3.27Å; Y115-H117 PolarHBondContact O-N 3.32Å; Y115-A118 WeakPolarHBondContact O-CB 3.48Å; Y115-A118 PolarHBondContact O-N 3.43Å; Y115-I119 WeakPolarHBondContact O-CG1 3.47Å; Y115-I119 PolarHBondContact O-N 3.16Å; Y115-A157 HydrophobicContact CD2-CB 3.8Å; Y115-A157 HydrophobicContact CG-CB 4.26Å; Y115-L162 HydrophobicContact CD1-CD2 4.14Å; Y115-L162 HydrophobicContact CD2-CD2 4.33Å; Y115-L162 HydrophobicContact CG-CD2 3.96Å; Y115-I164 HydrophobicContact CD1-CD1 3.52Å; Y115-I164 HydrophobicContact CE1-CD1 3.73Å | ||
| 116 | E | 86.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 55 Ų | 55 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.9 | -45.9 | -168.8 | -163 | -151.3 | 159.7 | 0 | 0 | 113.6 | K120 | E116-K120 WeakPolarHBondContact O-CG 3.42Å; E116-K120 PolarHBondContact O-N 3.01Å; E116-K120 WeakPolarHBondContact OE1-CE 3.38Å; E116-K120 IonicContact OE1-NZ 2.57Å; E116-K120 PolarHBondContact OE1-NZ 2.73Å |
| 117 | H | 87.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 58 Ų | 58 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.5 | -28.1 | 178 | -69.5 | 82.8 | 0 | 0 | 0 | 112.9 | F100 L104 Q107 Y115 K120 L121 | F100-H117 AromaticContact CE2-CD2 3.95Å; L104-H117 HydrophobicContact CD1-CB 3.72Å; Q107-H117 PolarHBondContact OE1-ND1 3.33Å; Y115-H117 PolarHBondContact O-N 3.32Å; H117-K120 PolarHBondContact O-N 2.97Å; H117-L121 WeakPolarHBondContact O-CG 3.43Å; H117-L121 PolarHBondContact O-N 3.08Å; H117-L121 VanDerWaalsContact O-N 3.11Å |
| 118 | A | 88.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L104 Y115 L121 L122 I164 | L104-A118 HydrophobicContact CD1-CB 4.14Å; Y115-A118 WeakPolarHBondContact O-CB 3.48Å; Y115-A118 PolarHBondContact O-N 3.43Å; A118-L121 PolarHBondContact O-N 3.3Å; A118-L122 WeakPolarHBondContact O-CG 3.5Å; A118-L122 PolarHBondContact O-N 2.9Å; A118-I164 HydrophobicContact CB-CD1 3.8Å |
| 119 | I | 90.2 | Very high | 89.3 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.3 | -61.5 | 169.8 | 0 | 0 | 0 | 110.8 | Y115 L122 G123 I153 Q154 A157 | Y115-I119 WeakPolarHBondContact O-CG1 3.47Å; Y115-I119 PolarHBondContact O-N 3.16Å; I119-L122 PolarHBondContact O-N 2.77Å; I119-G123 PolarHBondContact O-N 2.98Å; I119-I153 HydrophobicContact CG1-CG2 3.96Å; I119-I153 HydrophobicContact CG2-CG2 4.37Å; I119-Q154 HydrophobicContact CD1-CB 4.27Å; I119-Q154 HydrophobicContact CD1-CG 4.5Å; I119-A157 HydrophobicContact CD1-CB 3.97Å |
| 120 | K | 90.7 | Very high | 89.5 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.7 | -67 | 168.9 | -167.1 | 171.2 | 0 | 111.8 | E116 H117 L122 G123 E124 | E116-K120 WeakPolarHBondContact O-CG 3.42Å; E116-K120 PolarHBondContact O-N 3.01Å; E116-K120 WeakPolarHBondContact OE1-CE 3.38Å; E116-K120 IonicContact OE1-NZ 2.57Å; E116-K120 PolarHBondContact OE1-NZ 2.73Å; H117-K120 PolarHBondContact O-N 2.97Å; K120-L122 PolarHBondContact O-N 3.32Å; K120-G123 WeakPolarHBondContact O-CA 3.34Å; K120-G123 PolarHBondContact O-N 3.14Å; K120-G123 VanDerWaalsContact O-N 3.14Å; K120-E124 PolarHBondContact O-N 2.92Å |
| 121 | L | 91.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.5 | -71.6 | 169.7 | 0 | 0 | 0 | 112.6 | F100 W101 L104 H117 A118 G123 E124 I125 L200 F204 | F100-L121 HydrophobicContact CE1-CD1 3.87Å; F100-L121 HydrophobicContact CE1-CD2 3.81Å; F100-L121 HydrophobicContact CE1-CG 4.19Å; F100-L121 HydrophobicContact CZ-CD1 3.9Å; F100-L121 HydrophobicContact CZ-CD2 3.68Å; F100-L121 HydrophobicContact CZ-CG 3.86Å; W101-L121 HydrophobicContact CH2-CD1 4.19Å; W101-L121 HydrophobicContact CH2-CD2 4.33Å; W101-L121 HydrophobicContact CZ3-CD1 3.83Å; L104-L121 HydrophobicContact CD1-CD1 4.32Å; L104-L121 HydrophobicContact CD2-CD1 3.57Å; H117-L121 WeakPolarHBondContact O-CG 3.43Å; H117-L121 PolarHBondContact O-N 3.08Å; H117-L121 VanDerWaalsContact O-N 3.11Å; A118-L121 PolarHBondContact O-N 3.3Å; L121-G123 VanDerWaalsContact C-N 3.27Å; L121-G123 PolarHBondContact O-N 3.47Å; L121-E124 PolarHBondContact O-N 3.34Å; L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.33Å; L121-I125 VanDerWaalsContact O-CG1 3.23Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 2.82Å; L121-L200 HydrophobicContact CD1-CD1 4.36Å; L121-F204 HydrophobicContact CB-CE2 4Å; L121-F204 HydrophobicContact CB-CZ 4.2Å; L121-F204 HydrophobicContact CD2-CD2 4.37Å; L121-F204 HydrophobicContact CD2-CE1 4.23Å; L121-F204 HydrophobicContact CD2-CE2 3.52Å; L121-F204 HydrophobicContact CD2-CZ 3.44Å; L121-F204 VanDerWaalsContact CD2-CZ 3.44Å; L121-F204 HydrophobicContact CG-CE2 4.3Å; L121-F204 HydrophobicContact CG-CZ 4.43Å |
| 122 | L | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | 174.1 | -72.9 | 166.3 | 0 | 0 | 0 | 111.9 | A118 I119 K120 K126 L150 I153 L167 | A118-L122 WeakPolarHBondContact O-CG 3.5Å; A118-L122 PolarHBondContact O-N 2.9Å; I119-L122 PolarHBondContact O-N 2.77Å; K120-L122 PolarHBondContact O-N 3.32Å; L122-K126 WeakPolarHBondContact O-CB 3.16Å; L122-K126 PolarHBondContact O-N 3.27Å; L122-L150 HydrophobicContact CB-CD2 4.42Å; L122-I153 HydrophobicContact CD1-CG2 4.36Å; L122-L167 HydrophobicContact CD1-CD1 3.91Å; L122-L167 HydrophobicContact CD2-CB 4.27Å |
| 123 | G | 92 | Very high | 90.1 | Very high | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -50.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I119 K120 L121 I125 K126 E127 | I119-G123 PolarHBondContact O-N 2.98Å; K120-G123 WeakPolarHBondContact O-CA 3.34Å; K120-G123 PolarHBondContact O-N 3.14Å; K120-G123 VanDerWaalsContact O-N 3.14Å; L121-G123 VanDerWaalsContact C-N 3.27Å; L121-G123 PolarHBondContact O-N 3.47Å; G123-I125 VanDerWaalsContact C-N 3.27Å; G123-I125 PolarHBondContact O-N 3.18Å; G123-K126 WeakPolarHBondContact O-CB 3.33Å; G123-K126 PolarHBondContact O-N 3.41Å; G123-K126 VanDerWaalsContact O-N 3.08Å; G123-E127 PolarHBondContact O-N 2.95Å |
| 124 | E | 93.5 | Very high | 89.8 | Confident | 105 Ų | 105 | 42.3 Ų | 42.3 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 175.3 | -73.8 | 179.1 | -140.2 | 0 | 0 | 112.6 | K120 L121 T128 F204 | K120-E124 PolarHBondContact O-N 2.92Å; L121-E124 PolarHBondContact O-N 3.34Å; E124-T128 VanDerWaalsContact O-CB 3.25Å; E124-T128 WeakPolarHBondContact O-CB 3.46Å; E124-T128 PolarHBondContact O-N 2.97Å; E124-T128 PolarHBondContact O-OG1 2.99Å; E124-F204 HydrophobicContact CB-CE1 4.04Å; E124-F204 HydrophobicContact CB-CZ 3.84Å; E124-F204 WeakPolarHBondContact OE2-CE1 3.28Å |
| 125 | I | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 172 | -72 | 164.1 | 0 | 0 | 0 | 110.8 | L121 G123 T128 L129 V171 L200 I203 F204 L207 | L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.33Å; L121-I125 VanDerWaalsContact O-CG1 3.23Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 2.82Å; G123-I125 VanDerWaalsContact C-N 3.27Å; G123-I125 PolarHBondContact O-N 3.18Å; I125-T128 PolarHBondContact O-N 3.16Å; I125-L129 HydrophobicContact CG2-CD1 3.8Å; I125-L129 HydrophobicContact CG2-CG 4.24Å; I125-L129 WeakPolarHBondContact O-CB 3.42Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 2.97Å; I125-V171 HydrophobicContact CG2-CB 4.3Å; I125-V171 HydrophobicContact CG2-CG1 3.64Å; I125-V171 HydrophobicContact CG2-CG2 3.62Å; I125-L200 HydrophobicContact CD1-CD2 4.01Å; I125-I203 HydrophobicContact CD1-CG2 3.88Å; I125-I203 HydrophobicContact CG1-CG2 4.19Å; I125-F204 HydrophobicContact CD1-CD2 4.25Å; I125-F204 HydrophobicContact CD1-CE2 3.6Å; I125-F204 HydrophobicContact CD1-CZ 4.34Å; I125-F204 HydrophobicContact CG1-CD2 4.23Å; I125-F204 HydrophobicContact CG1-CE2 3.52Å; I125-F204 HydrophobicContact CG1-CZ 3.83Å; I125-L207 HydrophobicContact CB-CD1 4.44Å; I125-L207 HydrophobicContact CG1-CD1 3.9Å; I125-L207 HydrophobicContact CG2-CD1 4.33Å |
| 126 | K | 93.8 | Very high | 88.2 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 12% | 0.122 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.4 | -55 | 178.1 | -175.8 | -173.4 | -167.8 | 162.1 | 0 | 111.1 | L122 G123 T128 L129 L130 I144 E145 L148 | L122-K126 WeakPolarHBondContact O-CB 3.16Å; L122-K126 PolarHBondContact O-N 3.27Å; G123-K126 WeakPolarHBondContact O-CB 3.33Å; G123-K126 PolarHBondContact O-N 3.41Å; G123-K126 VanDerWaalsContact O-N 3.08Å; K126-T128 VanDerWaalsContact C-N 3.29Å; K126-T128 PolarHBondContact O-N 3.39Å; K126-L129 PolarHBondContact O-N 3.49Å; K126-L130 HydrophobicContact CG-CD1 4.03Å; K126-L130 HydrophobicContact CG-CG 4.49Å; K126-L130 WeakPolarHBondContact O-CG 3.49Å; K126-L130 PolarHBondContact O-N 3.17Å; K126-I144 HydrophobicContact CG-CG2 3.92Å; K126-E145 PolarHBondContact NZ-O 3.41Å; K126-L148 HydrophobicContact CB-CB 4.18Å; K126-L148 HydrophobicContact CB-CD1 3.89Å; K126-L148 HydrophobicContact CD-CB 4.01Å; K126-L148 WeakPolarHBondContact CD-O 3.44Å; K126-L148 WeakPolarHBondContact CE-O 3.38Å; K126-L148 HydrophobicContact CG-CB 4.03Å; K126-L148 HydrophobicContact CG-CD1 4.26Å; K126-L148 PolarHBondContact NZ-O 3.25Å |
| 127 | E | 93.9 | Very high | 87.9 | Confident | 118 Ų | 118 | 47.5 Ų | 47.5 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.8 | -38.7 | -179.9 | -62.4 | -51 | 124.2 | 0 | 0 | 111.5 | G123 L130 S131 | G123-E127 PolarHBondContact O-N 2.95Å; E127-L130 PolarHBondContact O-N 3.14Å; E127-S131 WeakPolarHBondContact O-CB 3.27Å; E127-S131 PolarHBondContact O-N 3.44Å |
| 128 | T | 92.5 | Very high | 87.5 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | E124 I125 K126 S131 F132 L207 K211 | E124-T128 VanDerWaalsContact O-CB 3.25Å; E124-T128 WeakPolarHBondContact O-CB 3.46Å; E124-T128 PolarHBondContact O-N 2.97Å; E124-T128 PolarHBondContact O-OG1 2.99Å; I125-T128 PolarHBondContact O-N 3.16Å; K126-T128 VanDerWaalsContact C-N 3.29Å; K126-T128 PolarHBondContact O-N 3.39Å; T128-S131 PolarHBondContact O-N 3.3Å; T128-S131 PolarHBondContact O-OG 3.34Å; T128-F132 HydrophobicContact CG2-CE1 4.16Å; T128-F132 HydrophobicContact CG2-CE2 3.9Å; T128-F132 HydrophobicContact CG2-CZ 3.52Å; T128-F132 PolarHBondContact O-N 3.15Å; T128-L207 HydrophobicContact CG2-CB 4.18Å; T128-L207 HydrophobicContact CG2-CD1 4.33Å; T128-L207 HydrophobicContact CG2-CD2 4.08Å; T128-L207 HydrophobicContact CG2-CG 4.44Å; T128-K211 HydrophobicContact CG2-CG 4.45Å |
| 129 | L | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 178.8 | -72.5 | 173.4 | 0 | 0 | 0 | 111.9 | I125 K126 S131 F132 I144 L148 V171 M174 M175 L178 L207 | I125-L129 HydrophobicContact CG2-CD1 3.8Å; I125-L129 HydrophobicContact CG2-CG 4.24Å; I125-L129 WeakPolarHBondContact O-CB 3.42Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 2.97Å; K126-L129 PolarHBondContact O-N 3.49Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-F132 PolarHBondContact O-N 3.39Å; L129-I144 HydrophobicContact CB-CD1 4Å; L129-L148 HydrophobicContact CD1-CD1 4.43Å; L129-V171 HydrophobicContact CD1-CG1 4.48Å; L129-V171 HydrophobicContact CD1-CG2 4.4Å; L129-M174 HydrophobicContact CD1-CB 4.35Å; L129-M175 HydrophobicContact CD2-CG 3.95Å; L129-L178 HydrophobicContact CD2-CD1 4.27Å; L129-L207 HydrophobicContact CD2-CD2 4.04Å |
| 130 | L | 91.3 | Very high | 87.2 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 174.8 | -68.2 | 175.9 | 0 | 0 | 0 | 111.7 | K126 E127 F132 L133 C141 I144 E145 | K126-L130 HydrophobicContact CG-CD1 4.03Å; K126-L130 HydrophobicContact CG-CG 4.49Å; K126-L130 WeakPolarHBondContact O-CG 3.49Å; K126-L130 PolarHBondContact O-N 3.17Å; E127-L130 PolarHBondContact O-N 3.14Å; L130-F132 PolarHBondContact O-N 3.35Å; L130-F132 VanDerWaalsContact O-N 3.14Å; L130-L133 HydrophobicContact CD2-CD1 3.94Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-C141 HydrophobicContact CD2-CB 4.39Å; L130-I144 HydrophobicContact CD2-CB 4.06Å; L130-I144 HydrophobicContact CD2-CD1 4.47Å; L130-I144 HydrophobicContact CD2-CG2 3.73Å; L130-I144 HydrophobicContact CG-CG2 3.9Å; L130-E145 HydrophobicContact CD2-CG 4.49Å |
| 131 | S | 90.1 | Very high | 87 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.9 | -18.6 | 178.3 | 80 | 0 | 0 | 0 | 0 | 114.6 | E127 T128 L129 | E127-S131 WeakPolarHBondContact O-CB 3.27Å; E127-S131 PolarHBondContact O-N 3.44Å; T128-S131 PolarHBondContact O-N 3.3Å; T128-S131 PolarHBondContact O-OG 3.34Å; L129-S131 VanDerWaalsContact C-N 3.34Å |
| 132 | F | 88 | Confident | 86.9 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.1 | 175.1 | -57 | -28.3 | 0 | 0 | 0 | 113.6 | T128 L129 L130 L207 M210 K211 M214 | T128-F132 HydrophobicContact CG2-CE1 4.16Å; T128-F132 HydrophobicContact CG2-CE2 3.9Å; T128-F132 HydrophobicContact CG2-CZ 3.52Å; T128-F132 PolarHBondContact O-N 3.15Å; L129-F132 PolarHBondContact O-N 3.39Å; L130-F132 PolarHBondContact O-N 3.35Å; L130-F132 VanDerWaalsContact O-N 3.14Å; F132-L207 HydrophobicContact CE2-CD2 3.89Å; F132-L207 HydrophobicContact CZ-CD2 4.48Å; F132-M210 HydrophobicContact CD2-CE 3.93Å; F132-M210 HydrophobicContact CE2-CB 3.84Å; F132-M210 HydrophobicContact CE2-CE 3.73Å; F132-M210 HydrophobicContact CE2-SD 4.45Å; F132-M210 HydrophobicContact CZ-CB 3.73Å; F132-K211 HydrophobicContact CE1-CB 4.37Å; F132-K211 HydrophobicContact CE1-CG 3.72Å; F132-K211 HydrophobicContact CZ-CG 3.88Å; F132-M214 HydrophobicContact CB-CE 4.49Å; F132-M214 HydrophobicContact CB-CG 4.49Å; F132-M214 HydrophobicContact CD1-CB 4.38Å; F132-M214 HydrophobicContact CD1-CG 3.86Å; F132-M214 HydrophobicContact CE1-CG 4.33Å; F132-M214 HydrophobicContact CG-CG 4.23Å |
| 133 | L | 85.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | trans | -88.3 | 124 | -172.4 | -59.2 | -179.2 | 0 | 0 | 0 | 112 | L130 H137 L140 C141 I144 L178 | L130-L133 HydrophobicContact CD2-CD1 3.94Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.86Å; L133-H137 HydrophobicContact CB-CB 4.12Å; L133-H137 HydrophobicContact CD2-CB 4.11Å; L133-L140 HydrophobicContact CD1-CB 4.43Å; L133-L140 HydrophobicContact CD2-CB 4.3Å; L133-C141 HydrophobicContact CD1-CB 4.15Å; L133-C141 WeakPolarHBondContact CD1-SG 3.48Å; L133-I144 HydrophobicContact CD1-CD1 4.01Å; L133-L178 HydrophobicContact CD2-CD1 3.9Å; L133-L178 HydrophobicContact CD2-CD2 3.56Å; L133-L178 HydrophobicContact CD2-CG 4.41Å | ||
| 134 | L | 77.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | trans | -74 | 153.5 | 170.2 | -70.9 | 156.4 | 0 | 0 | 0 | 110.3 | G136 H137 | L134-G136 PolarHBondContact O-N 2.96Å; L134-H137 WeakPolarHBondContact O-CB 3.4Å; L134-H137 PolarHBondContact O-CD2 2.85Å; L134-H137 PolarHBondContact O-N 3.36Å | ||
| 135 | P | 71.9 | Confident | 86.7 | Confident | 140 Ų | 140 | 63 Ų | 63 | 91% | 0.909 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -15.6 | -174.6 | -29.9 | 36.4 | 0 | 0 | 0 | 117.1 | ||
| 136 | G | 70.4 | Confident | 86.6 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 78% | 0.784 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L134 G138 | L134-G136 PolarHBondContact O-N 2.96Å; G136-G138 VanDerWaalsContact C-N 3.28Å; G136-G138 PolarHBondContact O-N 2.94Å |
| 137 | H | 79.2 | Confident | 86.5 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | trans | -87.8 | 21.8 | -168.8 | -71.1 | -127 | 0 | 0 | 0 | 114.1 | L133 L134 R139 L140 C141 | L133-H137 HydrophobicContact CB-CB 4.12Å; L133-H137 HydrophobicContact CD2-CB 4.11Å; L134-H137 WeakPolarHBondContact O-CB 3.4Å; L134-H137 PolarHBondContact O-CD2 2.85Å; L134-H137 PolarHBondContact O-N 3.36Å; H137-R139 PolarHBondContact O-N 3.39Å; H137-L140 HydrophobicContact CB-CD1 4.43Å; H137-L140 WeakPolarHBondContact O-CA 3.47Å; H137-L140 WeakPolarHBondContact O-CB 3.36Å; H137-L140 PolarHBondContact O-N 3.5Å; H137-C141 PolarHBondContact O-N 3.24Å; H137-C141 PolarHBondContact O-SG 3.31Å | ||
| 138 | G | 80.5 | Confident | 86.4 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -49.1 | -35.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G136 L140 C141 S142 | G136-G138 VanDerWaalsContact C-N 3.28Å; G136-G138 PolarHBondContact O-N 2.94Å; G138-L140 VanDerWaalsContact C-N 3.32Å; G138-L140 PolarHBondContact O-N 2.67Å; G138-C141 WeakPolarHBondContact O-CB 3.32Å; G138-C141 PolarHBondContact O-N 3.37Å; G138-S142 PolarHBondContact O-N 2.91Å; G138-S142 PolarHBondContact O-OG 3.48Å; G138-S142 VanDerWaalsContact O-OG 3.1Å |
| 139 | R | 85.6 | Confident | 86.4 | Confident | 232 Ų | 232 | 67.6 Ų | 67.6 | 88% | 0.875 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -33.3 | 175 | -68.2 | -173.6 | 179.5 | -170.9 | 0 | 113.8 | H137 R143 | H137-R139 PolarHBondContact O-N 3.39Å; R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 PolarHBondContact O-N 3.46Å |
| 140 | L | 85.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 70 Ų | 70 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -80.6 | -35.4 | 176.7 | -60.4 | 168.8 | 0 | 0 | 0 | 110.5 | L133 H137 G138 R143 I144 M174 L178 | L133-L140 HydrophobicContact CD1-CB 4.43Å; L133-L140 HydrophobicContact CD2-CB 4.3Å; H137-L140 HydrophobicContact CB-CD1 4.43Å; H137-L140 WeakPolarHBondContact O-CA 3.47Å; H137-L140 WeakPolarHBondContact O-CB 3.36Å; H137-L140 PolarHBondContact O-N 3.5Å; G138-L140 VanDerWaalsContact C-N 3.32Å; G138-L140 PolarHBondContact O-N 2.67Å; L140-R143 PolarHBondContact O-N 3.49Å; L140-I144 WeakPolarHBondContact O-CG1 3.36Å; L140-I144 PolarHBondContact O-N 2.87Å; L140-M174 HydrophobicContact CB-CE 4.3Å; L140-M174 HydrophobicContact CD2-CE 3.98Å; L140-L178 HydrophobicContact CD1-CD2 4.31Å |
| 141 | C | 86.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.8 | -56.7 | 170.6 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | L130 L133 H137 G138 R143 I144 E145 | L130-C141 HydrophobicContact CD2-CB 4.39Å; L133-C141 HydrophobicContact CD1-CB 4.15Å; L133-C141 WeakPolarHBondContact CD1-SG 3.48Å; H137-C141 PolarHBondContact O-N 3.24Å; H137-C141 PolarHBondContact O-SG 3.31Å; G138-C141 WeakPolarHBondContact O-CB 3.32Å; G138-C141 PolarHBondContact O-N 3.37Å; C141-R143 VanDerWaalsContact C-N 3.32Å; C141-R143 PolarHBondContact O-N 3.21Å; C141-I144 PolarHBondContact O-N 3.47Å; C141-E145 WeakPolarHBondContact O-CB 3.33Å; C141-E145 WeakPolarHBondContact O-CG 3.49Å; C141-E145 PolarHBondContact O-N 2.85Å |
| 142 | S | 89.4 | Confident | 86.5 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 47% | 0.469 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | G138 I144 E145 E146 | G138-S142 PolarHBondContact O-N 2.91Å; G138-S142 PolarHBondContact O-OG 3.48Å; G138-S142 VanDerWaalsContact O-OG 3.1Å; S142-I144 VanDerWaalsContact C-N 3.35Å; S142-I144 PolarHBondContact O-N 3.19Å; S142-E145 PolarHBondContact O-N 2.9Å; S142-E146 WeakPolarHBondContact O-CB 3.44Å; S142-E146 PolarHBondContact O-N 2.67Å |
| 143 | R | 90.8 | Very high | 86.7 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 177.1 | -170.5 | -174.8 | 179.4 | -139.5 | -3.9 | 112.4 | R139 L140 C141 V147 F170 E173 M174 | R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 PolarHBondContact O-N 3.46Å; L140-R143 PolarHBondContact O-N 3.49Å; C141-R143 VanDerWaalsContact C-N 3.32Å; C141-R143 PolarHBondContact O-N 3.21Å; R143-V147 WeakPolarHBondContact O-CB 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 3.46Å; R143-V147 PolarHBondContact O-N 3.21Å; R143-F170 HydrophobicContact CG-CE2 3.96Å; R143-F170 HydrophobicContact CG-CZ 4.17Å; R143-F170 WeakPolarHBondContact O-CZ 3.36Å; R143-E173 IonicContact NH2-OE2 2.63Å; R143-M174 PolarHBondContact NH1-SD 3.29Å |
| 144 | I | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.1 | -40.9 | 174.2 | -74.6 | 160.6 | 0 | 0 | 0 | 110.7 | K126 L129 L130 L133 L140 C141 S142 L148 F170 M174 | K126-I144 HydrophobicContact CG-CG2 3.92Å; L129-I144 HydrophobicContact CB-CD1 4Å; L130-I144 HydrophobicContact CD2-CB 4.06Å; L130-I144 HydrophobicContact CD2-CD1 4.47Å; L130-I144 HydrophobicContact CD2-CG2 3.73Å; L130-I144 HydrophobicContact CG-CG2 3.9Å; L133-I144 HydrophobicContact CD1-CD1 4.01Å; L140-I144 WeakPolarHBondContact O-CG1 3.36Å; L140-I144 PolarHBondContact O-N 2.87Å; C141-I144 PolarHBondContact O-N 3.47Å; S142-I144 VanDerWaalsContact C-N 3.35Å; S142-I144 PolarHBondContact O-N 3.19Å; I144-L148 HydrophobicContact CG2-CD1 4.33Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 PolarHBondContact O-N 2.82Å; I144-F170 HydrophobicContact CG1-CE1 4.49Å; I144-F170 HydrophobicContact CG1-CZ 4.35Å; I144-M174 HydrophobicContact CD1-CE 3.7Å; I144-M174 HydrophobicContact CG1-CE 3.89Å; I144-M174 HydrophobicContact CG1-CG 4.28Å |
| 145 | E | 91.6 | Very high | 87.5 | Confident | 96 Ų | 96 | 76.3 Ų | 76.3 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 179.3 | -73.1 | 164.8 | 172.9 | 0 | 0 | 112.5 | K126 L130 C141 S142 D149 | K126-E145 PolarHBondContact NZ-O 3.41Å; L130-E145 HydrophobicContact CD2-CG 4.49Å; C141-E145 WeakPolarHBondContact O-CB 3.33Å; C141-E145 WeakPolarHBondContact O-CG 3.49Å; C141-E145 PolarHBondContact O-N 2.85Å; S142-E145 PolarHBondContact O-N 2.9Å; E145-D149 PolarHBondContact O-N 2.84Å |
| 146 | E | 91.8 | Very high | 88.3 | Confident | 149 Ų | 149 | 72.7 Ų | 72.7 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.9 | -45.5 | 179.1 | -179.8 | -179.9 | -156.9 | 0 | 0 | 112.9 | S142 | S142-E146 WeakPolarHBondContact O-CB 3.44Å; S142-E146 PolarHBondContact O-N 2.67Å |
| 147 | V | 90.7 | Very high | 89.2 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -83.6 | -28.5 | -176.2 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | R143 L167 F170 | R143-V147 WeakPolarHBondContact O-CB 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 3.46Å; R143-V147 PolarHBondContact O-N 3.21Å; V147-L167 HydrophobicContact CG1-CD2 4.21Å; V147-F170 HydrophobicContact CB-CD1 4.12Å; V147-F170 HydrophobicContact CB-CD2 4.32Å; V147-F170 HydrophobicContact CB-CE1 3.77Å; V147-F170 HydrophobicContact CB-CE2 3.97Å; V147-F170 HydrophobicContact CB-CG 4.38Å; V147-F170 HydrophobicContact CB-CZ 3.68Å; V147-F170 HydrophobicContact CG1-CB 4.28Å; V147-F170 HydrophobicContact CG1-CD1 3.57Å; V147-F170 HydrophobicContact CG1-CD2 3.87Å; V147-F170 HydrophobicContact CG1-CE1 3.78Å; V147-F170 HydrophobicContact CG1-CE2 4.04Å; V147-F170 HydrophobicContact CG1-CG 3.62Å; V147-F170 HydrophobicContact CG1-CZ 4.01Å; V147-F170 HydrophobicContact CG2-CD2 4.32Å; V147-F170 HydrophobicContact CG2-CE2 3.85Å; V147-F170 HydrophobicContact CG2-CZ 3.98Å |
| 148 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 42.9 | 174.8 | -55.6 | -178.5 | 0 | 0 | 0 | 111.6 | K126 L129 I144 L150 I153 L167 F170 V171 | K126-L148 HydrophobicContact CB-CB 4.18Å; K126-L148 HydrophobicContact CB-CD1 3.89Å; K126-L148 HydrophobicContact CD-CB 4.01Å; K126-L148 WeakPolarHBondContact CD-O 3.44Å; K126-L148 WeakPolarHBondContact CE-O 3.38Å; K126-L148 HydrophobicContact CG-CB 4.03Å; K126-L148 HydrophobicContact CG-CD1 4.26Å; K126-L148 PolarHBondContact NZ-O 3.25Å; L129-L148 HydrophobicContact CD1-CD1 4.43Å; I144-L148 HydrophobicContact CG2-CD1 4.33Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 PolarHBondContact O-N 2.82Å; L148-L150 PolarHBondContact O-N 3.46Å; L148-I153 HydrophobicContact CD2-CD1 4.45Å; L148-L167 HydrophobicContact CD2-CD2 4.26Å; L148-F170 HydrophobicContact CD1-CE1 4.44Å; L148-F170 HydrophobicContact CD2-CD1 4.32Å; L148-F170 HydrophobicContact CG-CD1 4.4Å; L148-F170 HydrophobicContact CG-CE1 4.12Å; L148-V171 HydrophobicContact CD1-CG2 4.27Å; L148-V171 HydrophobicContact CD2-CG2 4.46Å |
| 149 | D | 93.3 | Very high | 90 | Very high | 60 Ų | 60 | 76.9 Ų | 76.9 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | trans | -68.5 | 105.9 | 169.1 | -176.7 | -34.8 | 0 | 0 | 0 | 109.5 | E145 P151 L152 I153 | E145-D149 PolarHBondContact O-N 2.84Å; D149-P151 WeakPolarHBondContact OD1-CD 3.34Å; D149-L152 HydrophobicContact CB-CB 3.83Å; D149-L152 HydrophobicContact CB-CD2 4.49Å; D149-L152 PolarHBondContact O-N 3.02Å; D149-L152 WeakPolarHBondContact OD1-CB 3.46Å; D149-L152 PolarHBondContact OD1-N 3.46Å; D149-I153 VanDerWaalsContact O-CB 3.3Å; D149-I153 WeakPolarHBondContact O-CB 3.2Å; D149-I153 WeakPolarHBondContact O-CD1 3.45Å; D149-I153 VanDerWaalsContact O-CG1 3.24Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.29Å | ||
| 150 | L | 91.4 | Very high | 89.8 | Confident | 49 Ų | 49 | 69 Ų | 69 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | -175 | -57.8 | 176.9 | 0 | 0 | 0 | 113 | L122 L148 L152 I153 Q154 | L122-L150 HydrophobicContact CB-CD2 4.42Å; L148-L150 PolarHBondContact O-N 3.46Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.24Å; L150-I153 PolarHBondContact O-N 3.07Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 2.89Å |
| 151 | P | 91.9 | Very high | 89.9 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -50.6 | -47.3 | 167 | -30 | 34.4 | 0 | 0 | 0 | 114.2 | D149 Q154 Q155 | D149-P151 WeakPolarHBondContact OD1-CD 3.34Å; P151-Q154 PolarHBondContact O-N 2.93Å; P151-Q155 PolarHBondContact O-N 2.86Å |
| 152 | L | 91.5 | Very high | 90 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 179.5 | -178.5 | 61.6 | 0 | 0 | 0 | 111.9 | D149 L150 Q154 Q155 Q156 | D149-L152 HydrophobicContact CB-CB 3.83Å; D149-L152 HydrophobicContact CB-CD2 4.49Å; D149-L152 PolarHBondContact O-N 3.02Å; D149-L152 WeakPolarHBondContact OD1-CB 3.46Å; D149-L152 PolarHBondContact OD1-N 3.46Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.24Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 2.89Å; L152-Q155 PolarHBondContact O-N 3.15Å; L152-Q156 VanDerWaalsContact O-CG 3.31Å; L152-Q156 WeakPolarHBondContact O-CG 3.47Å; L152-Q156 PolarHBondContact O-N 3.3Å |
| 153 | I | 91.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.2 | -77.7 | 167 | 0 | 0 | 0 | 111.2 | I119 L122 L148 D149 L150 Q156 A157 L162 L167 | I119-I153 HydrophobicContact CG1-CG2 3.96Å; I119-I153 HydrophobicContact CG2-CG2 4.37Å; L122-I153 HydrophobicContact CD1-CG2 4.36Å; L148-I153 HydrophobicContact CD2-CD1 4.45Å; D149-I153 VanDerWaalsContact O-CB 3.3Å; D149-I153 WeakPolarHBondContact O-CB 3.2Å; D149-I153 WeakPolarHBondContact O-CD1 3.45Å; D149-I153 VanDerWaalsContact O-CG1 3.24Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.29Å; L150-I153 PolarHBondContact O-N 3.07Å; I153-Q156 PolarHBondContact O-N 2.93Å; I153-A157 PolarHBondContact O-N 3.03Å; I153-L162 HydrophobicContact CG1-CD1 4.49Å; I153-L162 HydrophobicContact CG2-CD1 3.91Å; I153-L162 HydrophobicContact CG2-CD2 4.42Å; I153-L167 HydrophobicContact CD1-CD1 3.83Å; I153-L167 HydrophobicContact CD1-CD2 4.27Å; I153-L167 HydrophobicContact CG1-CD1 3.98Å |
| 154 | Q | 90.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 65 Ų | 65 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 174.1 | -178.1 | 179.7 | -24.9 | 0 | 0 | 111.3 | I119 L150 P151 L152 Q156 A157 E158 | I119-Q154 HydrophobicContact CD1-CB 4.27Å; I119-Q154 HydrophobicContact CD1-CG 4.5Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 2.89Å; P151-Q154 PolarHBondContact O-N 2.93Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 2.89Å; Q154-Q156 VanDerWaalsContact C-N 3.28Å; Q154-Q156 PolarHBondContact O-N 2.9Å; Q154-A157 WeakPolarHBondContact O-CB 3.18Å; Q154-A157 PolarHBondContact O-N 3.18Å; Q154-A157 VanDerWaalsContact O-N 3.07Å; Q154-E158 HydrophobicContact CG-CG 4.48Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.47Å; Q154-E158 PolarHBondContact NE2-OE1 3.09Å; Q154-E158 WeakPolarHBondContact O-CG 3.46Å; Q154-E158 PolarHBondContact O-N 3.31Å |
| 155 | Q | 90.5 | Very high | 89.3 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.3 | -38.5 | 175.6 | -171.9 | -177.9 | -0.9 | 0 | 0 | 111.8 | P151 L152 N159 | P151-Q155 PolarHBondContact O-N 2.86Å; L152-Q155 PolarHBondContact O-N 3.15Å; Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-ND2 3.4Å |
| 156 | Q | 89.5 | Confident | 89.2 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 173.7 | -72 | 172.6 | 11.9 | 0 | 0 | 112.3 | L152 I153 Q154 G160 A161 L162 | L152-Q156 VanDerWaalsContact O-CG 3.31Å; L152-Q156 WeakPolarHBondContact O-CG 3.47Å; L152-Q156 PolarHBondContact O-N 3.3Å; I153-Q156 PolarHBondContact O-N 2.93Å; Q154-Q156 VanDerWaalsContact C-N 3.28Å; Q154-Q156 PolarHBondContact O-N 2.9Å; Q156-G160 PolarHBondContact O-N 2.77Å; Q156-A161 PolarHBondContact O-N 3.17Å; Q156-L162 HydrophobicContact CB-CB 4.14Å; Q156-L162 HydrophobicContact CB-CD1 4.35Å; Q156-L162 PolarHBondContact O-N 3.34Å |
| 157 | A | 88.6 | Confident | 89.2 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.3 | -50 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y115 I119 I153 Q154 N159 G160 L162 | Y115-A157 HydrophobicContact CD2-CB 3.8Å; Y115-A157 HydrophobicContact CG-CB 4.26Å; I119-A157 HydrophobicContact CD1-CB 3.97Å; I153-A157 PolarHBondContact O-N 3.03Å; Q154-A157 WeakPolarHBondContact O-CB 3.18Å; Q154-A157 PolarHBondContact O-N 3.18Å; Q154-A157 VanDerWaalsContact O-N 3.07Å; A157-N159 PolarHBondContact O-N 3.05Å; A157-G160 PolarHBondContact O-N 3.36Å; A157-L162 HydrophobicContact CB-CB 4.39Å; A157-L162 HydrophobicContact CB-CD2 4.01Å |
| 158 | E | 88 | Confident | 89.2 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -26.8 | 179.7 | -70.3 | 171.7 | -171.6 | 0 | 0 | 113.1 | Q154 | Q154-E158 HydrophobicContact CG-CG 4.48Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.47Å; Q154-E158 PolarHBondContact NE2-OE1 3.09Å; Q154-E158 WeakPolarHBondContact O-CG 3.46Å; Q154-E158 PolarHBondContact O-N 3.31Å |
| 159 | N | 87.5 | Confident | 89.1 | Confident | 120 Ų | 120 | 65.4 Ų | 65.4 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 9.1 | 177.1 | -69.7 | -90.4 | 0 | 0 | 0 | 113.6 | Q155 A157 A161 | Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-ND2 3.4Å; A157-N159 PolarHBondContact O-N 3.05Å; N159-A161 PolarHBondContact O-N 3.32Å |
| 160 | G | 82.9 | Confident | 89.1 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 68% | 0.68 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 18.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q156 A157 | Q156-G160 PolarHBondContact O-N 2.77Å; A157-G160 PolarHBondContact O-N 3.36Å |
| 161 | A | 87.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 61 Ų | 61 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | trans | -104.2 | -3.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q156 N159 | Q156-A161 PolarHBondContact O-N 3.17Å; N159-A161 PolarHBondContact O-N 3.32Å | ||
| 162 | L | 88.3 | Confident | 89.3 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | trans | -67.1 | 130.7 | -176.7 | -179.7 | 63.8 | 0 | 0 | 0 | 112.5 | Y115 I153 Q156 A157 I164 L167 | Y115-L162 HydrophobicContact CD1-CD2 4.14Å; Y115-L162 HydrophobicContact CD2-CD2 4.33Å; Y115-L162 HydrophobicContact CG-CD2 3.96Å; I153-L162 HydrophobicContact CG1-CD1 4.49Å; I153-L162 HydrophobicContact CG2-CD1 3.91Å; I153-L162 HydrophobicContact CG2-CD2 4.42Å; Q156-L162 HydrophobicContact CB-CB 4.14Å; Q156-L162 HydrophobicContact CB-CD1 4.35Å; Q156-L162 PolarHBondContact O-N 3.34Å; A157-L162 HydrophobicContact CB-CB 4.39Å; A157-L162 HydrophobicContact CB-CD2 4.01Å; L162-I164 HydrophobicContact CD2-CD1 4.17Å; L162-I164 HydrophobicContact CD2-CG1 3.83Å; L162-I164 HydrophobicContact CG-CG1 4.02Å; L162-L167 HydrophobicContact CD1-CD1 3.67Å | ||
| 163 | N | 86.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -114.9 | 90.8 | 173.2 | -167.9 | -37.2 | 0 | 0 | 0 | 111.7 | G165 Q166 L167 | N163-G165 PolarHBondContact O-N 3.28Å; N163-G165 PolarHBondContact OD1-N 2.94Å; N163-G165 VanDerWaalsContact OD1-N 3.14Å; N163-Q166 HydrophobicContact CB-CB 4.27Å; N163-Q166 HydrophobicContact CB-CG 4.29Å; N163-Q166 PolarHBondContact O-N 3.32Å; N163-Q166 PolarHBondContact OD1-N 2.97Å; N163-L167 PolarHBondContact O-N 3.42Å | ||
| 164 | I | 84.9 | Confident | 89.3 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 179 | -61.9 | 175.4 | 0 | 0 | 0 | 111.8 | L108 Y115 A118 L162 L167 S168 I196 | L108-I164 HydrophobicContact CD2-CD1 4.06Å; Y115-I164 HydrophobicContact CD1-CD1 3.52Å; Y115-I164 HydrophobicContact CE1-CD1 3.73Å; A118-I164 HydrophobicContact CB-CD1 3.8Å; L162-I164 HydrophobicContact CD2-CD1 4.17Å; L162-I164 HydrophobicContact CD2-CG1 3.83Å; L162-I164 HydrophobicContact CG-CG1 4.02Å; I164-L167 PolarHBondContact O-N 3.13Å; I164-S168 VanDerWaalsContact O-CB 3.27Å; I164-S168 WeakPolarHBondContact O-CB 3.43Å; I164-S168 PolarHBondContact O-N 3.43Å; I164-S168 PolarHBondContact O-OG 3.32Å; I164-I196 HydrophobicContact CB-CD1 4.38Å; I164-I196 HydrophobicContact CB-CG2 4.47Å; I164-I196 HydrophobicContact CG2-CG2 3.63Å |
| 165 | G | 86.1 | Confident | 89.5 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N163 S168 Q169 | N163-G165 PolarHBondContact O-N 3.28Å; N163-G165 PolarHBondContact OD1-N 2.94Å; N163-G165 VanDerWaalsContact OD1-N 3.14Å; G165-S168 PolarHBondContact O-N 3.35Å; G165-Q169 PolarHBondContact O-N 2.88Å |
| 166 | Q | 88.6 | Confident | 89.5 | Confident | 134 Ų | 134 | 47.7 Ų | 47.7 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 176.4 | -72.6 | 176.2 | -6.6 | 0 | 0 | 112.2 | N163 S168 Q169 F170 | N163-Q166 HydrophobicContact CB-CB 4.27Å; N163-Q166 HydrophobicContact CB-CG 4.29Å; N163-Q166 PolarHBondContact O-N 3.32Å; N163-Q166 PolarHBondContact OD1-N 2.97Å; Q166-S168 VanDerWaalsContact C-N 3.35Å; Q166-S168 PolarHBondContact O-N 3.14Å; Q166-Q169 PolarHBondContact O-N 2.72Å; Q166-F170 PolarHBondContact O-N 3.32Å |
| 167 | L | 91.3 | Very high | 89.4 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.8 | -63.7 | 175 | 0 | 0 | 0 | 111.8 | L122 V147 L148 I153 L162 N163 I164 F170 V171 | L122-L167 HydrophobicContact CD1-CD1 3.91Å; L122-L167 HydrophobicContact CD2-CB 4.27Å; V147-L167 HydrophobicContact CG1-CD2 4.21Å; L148-L167 HydrophobicContact CD2-CD2 4.26Å; I153-L167 HydrophobicContact CD1-CD1 3.83Å; I153-L167 HydrophobicContact CD1-CD2 4.27Å; I153-L167 HydrophobicContact CG1-CD1 3.98Å; L162-L167 HydrophobicContact CD1-CD1 3.67Å; N163-L167 PolarHBondContact O-N 3.42Å; I164-L167 PolarHBondContact O-N 3.13Å; L167-F170 PolarHBondContact O-N 2.95Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 2.91Å |
| 168 | S | 90.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | I164 G165 Q166 V171 V172 | I164-S168 VanDerWaalsContact O-CB 3.27Å; I164-S168 WeakPolarHBondContact O-CB 3.43Å; I164-S168 PolarHBondContact O-N 3.43Å; I164-S168 PolarHBondContact O-OG 3.32Å; G165-S168 PolarHBondContact O-N 3.35Å; Q166-S168 VanDerWaalsContact C-N 3.35Å; Q166-S168 PolarHBondContact O-N 3.14Å; S168-V171 PolarHBondContact O-N 3.01Å; S168-V172 WeakPolarHBondContact O-CG2 3.47Å; S168-V172 PolarHBondContact O-N 2.89Å |
| 169 | Q | 90.6 | Very high | 89.4 | Confident | 118 Ų | 118 | 42.7 Ų | 42.7 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 172.6 | -176 | -177 | -34.4 | 0 | 0 | 111.2 | G165 Q166 V171 V172 E173 | G165-Q169 PolarHBondContact O-N 2.88Å; Q166-Q169 PolarHBondContact O-N 2.72Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 PolarHBondContact O-N 2.87Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-V172 VanDerWaalsContact O-N 3.15Å; Q169-E173 PolarHBondContact NE2-OE1 2.86Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 2.85Å |
| 170 | F | 93.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 175.2 | 170.4 | -96.7 | 0 | 0 | 0 | 111.9 | R143 I144 V147 L148 Q166 L167 V172 E173 M174 | R143-F170 HydrophobicContact CG-CE2 3.96Å; R143-F170 HydrophobicContact CG-CZ 4.17Å; R143-F170 WeakPolarHBondContact O-CZ 3.36Å; I144-F170 HydrophobicContact CG1-CE1 4.49Å; I144-F170 HydrophobicContact CG1-CZ 4.35Å; V147-F170 HydrophobicContact CB-CD1 4.12Å; V147-F170 HydrophobicContact CB-CD2 4.32Å; V147-F170 HydrophobicContact CB-CE1 3.77Å; V147-F170 HydrophobicContact CB-CE2 3.97Å; V147-F170 HydrophobicContact CB-CG 4.38Å; V147-F170 HydrophobicContact CB-CZ 3.68Å; V147-F170 HydrophobicContact CG1-CB 4.28Å; V147-F170 HydrophobicContact CG1-CD1 3.57Å; V147-F170 HydrophobicContact CG1-CD2 3.87Å; V147-F170 HydrophobicContact CG1-CE1 3.78Å; V147-F170 HydrophobicContact CG1-CE2 4.04Å; V147-F170 HydrophobicContact CG1-CG 3.62Å; V147-F170 HydrophobicContact CG1-CZ 4.01Å; V147-F170 HydrophobicContact CG2-CD2 4.32Å; V147-F170 HydrophobicContact CG2-CE2 3.85Å; V147-F170 HydrophobicContact CG2-CZ 3.98Å; L148-F170 HydrophobicContact CD1-CE1 4.44Å; L148-F170 HydrophobicContact CD2-CD1 4.32Å; L148-F170 HydrophobicContact CG-CD1 4.4Å; L148-F170 HydrophobicContact CG-CE1 4.12Å; Q166-F170 PolarHBondContact O-N 3.32Å; L167-F170 PolarHBondContact O-N 2.95Å; F170-V172 PolarHBondContact O-N 3.22Å; F170-E173 PolarHBondContact O-N 3.14Å; F170-M174 HydrophobicContact CD1-CG 4.25Å; F170-M174 HydrophobicContact CD2-CG 4.29Å; F170-M174 HydrophobicContact CE1-CG 3.75Å; F170-M174 HydrophobicContact CE2-CG 3.8Å; F170-M174 HydrophobicContact CE2-SD 4.07Å; F170-M174 HydrophobicContact CG-CG 4.5Å; F170-M174 HydrophobicContact CZ-CG 3.5Å; F170-M174 HydrophobicContact CZ-SD 4.04Å; F170-M174 WeakPolarHBondContact O-CB 3.35Å; F170-M174 WeakPolarHBondContact O-CG 3.16Å; F170-M174 PolarHBondContact O-N 3Å |
| 171 | V | 93.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.6 | 165.5 | 0 | 0 | 0 | 0 | 111.3 | I125 L129 L148 L167 S168 Q169 E173 M174 M175 I203 | I125-V171 HydrophobicContact CG2-CB 4.3Å; I125-V171 HydrophobicContact CG2-CG1 3.64Å; I125-V171 HydrophobicContact CG2-CG2 3.62Å; L129-V171 HydrophobicContact CD1-CG1 4.48Å; L129-V171 HydrophobicContact CD1-CG2 4.4Å; L148-V171 HydrophobicContact CD1-CG2 4.27Å; L148-V171 HydrophobicContact CD2-CG2 4.46Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 2.91Å; S168-V171 PolarHBondContact O-N 3.01Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 PolarHBondContact O-N 2.87Å; V171-E173 VanDerWaalsContact C-N 3.35Å; V171-E173 PolarHBondContact O-N 2.92Å; V171-M174 PolarHBondContact O-N 3.36Å; V171-M175 HydrophobicContact CG1-CG 4.37Å; V171-M175 HydrophobicContact CG1-SD 3.77Å; V171-M175 WeakPolarHBondContact O-CB 3.19Å; V171-M175 VanDerWaalsContact O-CG 3.23Å; V171-M175 WeakPolarHBondContact O-CG 3.45Å; V171-M175 PolarHBondContact O-N 3.17Å; V171-I203 HydrophobicContact CG1-CD1 4.11Å; V171-I203 HydrophobicContact CG1-CG1 4.48Å; V171-I203 HydrophobicContact CG1-CG2 3.83Å |
| 172 | V | 93.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 178.4 | 173 | 0 | 0 | 0 | 0 | 112.6 | S168 Q169 F170 G176 V187 L190 R191 L199 I203 | S168-V172 WeakPolarHBondContact O-CG2 3.47Å; S168-V172 PolarHBondContact O-N 2.89Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-V172 VanDerWaalsContact O-N 3.15Å; F170-V172 PolarHBondContact O-N 3.22Å; V172-G176 PolarHBondContact O-N 3.1Å; V172-G176 VanDerWaalsContact O-N 3.09Å; V172-V187 HydrophobicContact CG1-CG1 4.06Å; V172-L190 HydrophobicContact CG1-CB 3.93Å; V172-L190 HydrophobicContact CG2-CB 3.84Å; V172-L190 HydrophobicContact CG2-CD1 4.06Å; V172-R191 HydrophobicContact CG1-CG 3.57Å; V172-L199 HydrophobicContact CG2-CD1 4.28Å; V172-I203 HydrophobicContact CG2-CD1 3.88Å; V172-I203 HydrophobicContact CG2-CG1 3.94Å |
| 173 | E | 92.3 | Very high | 89.9 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 170.2 | -75 | 177 | -159.4 | 0 | 0 | 111.8 | R143 Q169 F170 V171 G176 S177 | R143-E173 IonicContact NH2-OE2 2.63Å; Q169-E173 PolarHBondContact NE2-OE1 2.86Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 2.85Å; F170-E173 PolarHBondContact O-N 3.14Å; V171-E173 VanDerWaalsContact C-N 3.35Å; V171-E173 PolarHBondContact O-N 2.92Å; E173-G176 PolarHBondContact O-N 2.95Å; E173-S177 PolarHBondContact O-N 2.72Å; E173-S177 VanDerWaalsContact O-N 3.15Å |
| 174 | M | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.4 | -72.2 | -52.8 | -54.8 | 0 | 0 | 111.7 | L129 L140 R143 I144 F170 V171 G176 S177 L178 | L129-M174 HydrophobicContact CD1-CB 4.35Å; L140-M174 HydrophobicContact CB-CE 4.3Å; L140-M174 HydrophobicContact CD2-CE 3.98Å; R143-M174 PolarHBondContact NH1-SD 3.29Å; I144-M174 HydrophobicContact CD1-CE 3.7Å; I144-M174 HydrophobicContact CG1-CE 3.89Å; I144-M174 HydrophobicContact CG1-CG 4.28Å; F170-M174 HydrophobicContact CD1-CG 4.25Å; F170-M174 HydrophobicContact CD2-CG 4.29Å; F170-M174 HydrophobicContact CE1-CG 3.75Å; F170-M174 HydrophobicContact CE2-CG 3.8Å; F170-M174 HydrophobicContact CE2-SD 4.07Å; F170-M174 HydrophobicContact CG-CG 4.5Å; F170-M174 HydrophobicContact CZ-CG 3.5Å; F170-M174 HydrophobicContact CZ-SD 4.04Å; F170-M174 WeakPolarHBondContact O-CB 3.35Å; F170-M174 WeakPolarHBondContact O-CG 3.16Å; F170-M174 PolarHBondContact O-N 3Å; V171-M174 PolarHBondContact O-N 3.36Å; M174-G176 VanDerWaalsContact C-N 3.33Å; M174-G176 PolarHBondContact O-N 3.42Å; M174-S177 PolarHBondContact O-N 3.3Å; M174-S177 PolarHBondContact O-OG 3.42Å; M174-L178 WeakPolarHBondContact O-CG 3.49Å; M174-L178 PolarHBondContact O-N 3.22Å |
| 175 | M | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -47.8 | 172.8 | -72 | 169.4 | 71.4 | 0 | 0 | 111.2 | L129 V171 S177 L178 C179 L190 I203 V206 L207 M210 | L129-M175 HydrophobicContact CD2-CG 3.95Å; V171-M175 HydrophobicContact CG1-CG 4.37Å; V171-M175 HydrophobicContact CG1-SD 3.77Å; V171-M175 WeakPolarHBondContact O-CB 3.19Å; V171-M175 VanDerWaalsContact O-CG 3.23Å; V171-M175 WeakPolarHBondContact O-CG 3.45Å; V171-M175 PolarHBondContact O-N 3.17Å; M175-S177 PolarHBondContact O-N 3.3Å; M175-S177 VanDerWaalsContact O-N 3.14Å; M175-L178 PolarHBondContact O-N 2.63Å; M175-C179 WeakPolarHBondContact O-CB 3.38Å; M175-C179 PolarHBondContact O-N 3.17Å; M175-C179 PolarHBondContact O-SG 2.98Å; M175-C179 VanDerWaalsContact O-SG 3.36Å; M175-L190 HydrophobicContact CE-CD1 3.69Å; M175-L190 HydrophobicContact SD-CD1 4.2Å; M175-I203 HydrophobicContact SD-CB 4.47Å; M175-I203 HydrophobicContact SD-CG1 4.29Å; M175-I203 HydrophobicContact SD-CG2 3.9Å; M175-V206 HydrophobicContact CE-CB 3.69Å; M175-V206 HydrophobicContact CE-CG1 3.57Å; M175-L207 HydrophobicContact CE-CD2 3.9Å; M175-L207 HydrophobicContact CE-CG 3.83Å; M175-L207 HydrophobicContact CG-CD2 3.84Å; M175-L207 HydrophobicContact SD-CD2 3.95Å; M175-L207 HydrophobicContact SD-CG 4.09Å; M175-M210 HydrophobicContact CB-CE 4.45Å; M175-M210 HydrophobicContact CB-SD 4.18Å; M175-M210 HydrophobicContact CE-SD 4Å; M175-M210 HydrophobicContact CG-SD 4.23Å |
| 176 | G | 90.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 48 Ų | 48 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -11.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V172 E173 M174 | V172-G176 PolarHBondContact O-N 3.1Å; V172-G176 VanDerWaalsContact O-N 3.09Å; E173-G176 PolarHBondContact O-N 2.95Å; M174-G176 VanDerWaalsContact C-N 3.33Å; M174-G176 PolarHBondContact O-N 3.42Å |
| 177 | S | 88.6 | Confident | 91.1 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -98.1 | -10.7 | 172.9 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | E173 M174 M175 | E173-S177 PolarHBondContact O-N 2.72Å; E173-S177 VanDerWaalsContact O-N 3.15Å; M174-S177 PolarHBondContact O-N 3.3Å; M174-S177 PolarHBondContact O-OG 3.42Å; M175-S177 PolarHBondContact O-N 3.3Å; M175-S177 VanDerWaalsContact O-N 3.14Å |
| 178 | L | 87.4 | Confident | 91.1 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -119.4 | -17 | -174.8 | -63.4 | 177.1 | 0 | 0 | 0 | 113.5 | L129 L133 L140 M174 M175 M210 | L129-L178 HydrophobicContact CD2-CD1 4.27Å; L133-L178 HydrophobicContact CD2-CD1 3.9Å; L133-L178 HydrophobicContact CD2-CD2 3.56Å; L133-L178 HydrophobicContact CD2-CG 4.41Å; L140-L178 HydrophobicContact CD1-CD2 4.31Å; M174-L178 WeakPolarHBondContact O-CG 3.49Å; M174-L178 PolarHBondContact O-N 3.22Å; M175-L178 PolarHBondContact O-N 2.63Å; L178-M210 HydrophobicContact CB-CE 4.13Å |
| 179 | C | 88.1 | Confident | 91.3 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 14% | 0.142 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -77.2 | 155.3 | -178.8 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | M175 R183 M210 | M175-C179 WeakPolarHBondContact O-CB 3.38Å; M175-C179 PolarHBondContact O-N 3.17Å; M175-C179 PolarHBondContact O-SG 2.98Å; M175-C179 VanDerWaalsContact O-SG 3.36Å; C179-R183 HydrophobicContact CB-CB 3.86Å; C179-R183 HydrophobicContact CB-CG 4.36Å; C179-M210 HydrophobicContact CB-CE 3.83Å; C179-M210 HydrophobicContact CB-CG 4.23Å; C179-M210 HydrophobicContact CB-SD 3.98Å |
| 180 | A | 87.3 | Confident | 91.4 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | trans | -71.5 | 151.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C182 R183 | A180-C182 PolarHBondContact O-N 3.49Å; A180-R183 WeakPolarHBondContact O-CB 3.42Å; A180-R183 PolarHBondContact O-N 2.67Å | ||
| 181 | P | 89.1 | Confident | 91.2 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 71% | 0.708 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -57.8 | -17.1 | -175.1 | -28.7 | 36 | 0 | 0 | 0 | 116.3 | R183 D184 | P181-R183 PolarHBondContact O-N 2.87Å; P181-D184 WeakPolarHBondContact CA-OD1 3.45Å |
| 182 | C | 88.4 | Confident | 91.1 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -69.1 | -11 | 171.7 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | A180 | A180-C182 PolarHBondContact O-N 3.49Š|
| 183 | R | 92.7 | Very high | 91 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -104.2 | -2.9 | 179.3 | -57.8 | -58 | 177 | -163.7 | -6.8 | 114.1 | C179 A180 P181 E185 D186 V187 D213 | C179-R183 HydrophobicContact CB-CB 3.86Å; C179-R183 HydrophobicContact CB-CG 4.36Å; A180-R183 WeakPolarHBondContact O-CB 3.42Å; A180-R183 PolarHBondContact O-N 2.67Å; P181-R183 PolarHBondContact O-N 2.87Å; R183-E185 PolarHBondContact O-N 2.9Å; R183-D186 WeakPolarHBondContact CD-OD2 3.47Å; R183-D186 IonicContact NH1-OD2 3.65Å; R183-D186 PolarHBondContact NH1-OD2 3.49Å; R183-D186 WeakPolarHBondContact O-CA 3.37Å; R183-D186 WeakPolarHBondContact O-CB 3.42Å; R183-D186 PolarHBondContact O-N 3.47Å; R183-V187 PolarHBondContact O-N 3.37Å; R183-D213 WeakPolarHBondContact CG-OD2 3.39Å; R183-D213 IonicContact CZ-OD1 3.9Å; R183-D213 IonicContact CZ-OD2 2.95Å; R183-D213 IonicContact NE-OD1 2.8Å; R183-D213 IonicContact NE-OD2 3.67Å; R183-D213 PolarHBondContact NE-OD2 2.68Å; R183-D213 IonicContact NH2-OD1 3.71Å; R183-D213 PolarHBondContact NH2-OD1 2.84Å; R183-D213 IonicContact NH2-OD2 3.02Å; R183-D213 PolarHBondContact NH2-OD2 3.45Å |
| 184 | D | 91.2 | Very high | 90.8 | Very high | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.2 | -39.5 | 179.7 | -70.9 | 12.9 | 0 | 0 | 0 | 111.9 | P181 K188 | P181-D184 WeakPolarHBondContact CA-OD1 3.45Å; D184-K188 WeakPolarHBondContact O-CB 3.44Å; D184-K188 WeakPolarHBondContact O-CD 3.44Å; D184-K188 WeakPolarHBondContact O-CG 3.29Å; D184-K188 PolarHBondContact O-N 3.43Å |
| 185 | E | 92.9 | Very high | 90.6 | Very high | 109 Ų | 109 | 69.5 Ų | 69.5 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71 | -32.1 | 175.4 | -62.2 | -50.8 | 134.6 | 0 | 0 | 113.3 | R183 K188 K189 | R183-E185 PolarHBondContact O-N 2.9Å; E185-K188 IonicContact OE1-NZ 3.21Å; E185-K188 PolarHBondContact OE1-NZ 3.34Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 IonicContact OE2-NZ 3.26Å; E185-K189 WeakPolarHBondContact O-CD 3.19Å; E185-K189 VanDerWaalsContact O-CE 3.28Å; E185-K189 WeakPolarHBondContact O-CE 3.28Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.44Å; E185-K189 PolarHBondContact O-N 3.35Å; E185-K189 VanDerWaalsContact O-N 3.14Å |
| 186 | D | 93 | Very high | 90.4 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 175.2 | -65.4 | -30.8 | 0 | 0 | 0 | 110.4 | R183 K188 K189 L190 V206 | R183-D186 WeakPolarHBondContact CD-OD2 3.47Å; R183-D186 IonicContact NH1-OD2 3.65Å; R183-D186 PolarHBondContact NH1-OD2 3.49Å; R183-D186 WeakPolarHBondContact O-CA 3.37Å; R183-D186 WeakPolarHBondContact O-CB 3.42Å; R183-D186 PolarHBondContact O-N 3.47Å; D186-K188 VanDerWaalsContact C-N 3.33Å; D186-K188 PolarHBondContact O-N 2.91Å; D186-K189 WeakPolarHBondContact O-CB 3.47Å; D186-K189 PolarHBondContact O-N 2.99Å; D186-K189 IonicContact OD1-NZ 3.8Å; D186-K189 PolarHBondContact OD1-NZ 2.84Å; D186-L190 PolarHBondContact O-N 3.24Å; D186-L190 VanDerWaalsContact O-N 3.16Å; D186-V206 HydrophobicContact CB-CG1 4.39Å; D186-V206 HydrophobicContact CB-CG2 4.04Å |
| 187 | V | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -35.5 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V172 R183 L190 R191 | V172-V187 HydrophobicContact CG1-CG1 4.06Å; R183-V187 PolarHBondContact O-N 3.37Å; V187-L190 PolarHBondContact O-N 2.93Å; V187-R191 PolarHBondContact O-N 3.4Å |
| 188 | K | 92.3 | Very high | 90.5 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 172.1 | -76.2 | 164.9 | -164.5 | 172.5 | 0 | 112.3 | D184 E185 D186 R191 | D184-K188 WeakPolarHBondContact O-CB 3.44Å; D184-K188 WeakPolarHBondContact O-CD 3.44Å; D184-K188 WeakPolarHBondContact O-CG 3.29Å; D184-K188 PolarHBondContact O-N 3.43Å; E185-K188 IonicContact OE1-NZ 3.21Å; E185-K188 PolarHBondContact OE1-NZ 3.34Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 IonicContact OE2-NZ 3.26Å; D186-K188 VanDerWaalsContact C-N 3.33Å; D186-K188 PolarHBondContact O-N 2.91Å; K188-R191 PolarHBondContact O-N 3.37Å |
| 189 | K | 93.4 | Very high | 90.7 | Very high | 109 Ų | 109 | 70.8 Ų | 70.8 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175 | -64.6 | 158.7 | -153.6 | 164.1 | 0 | 111.4 | E185 D186 R191 Q192 | E185-K189 WeakPolarHBondContact O-CD 3.19Å; E185-K189 VanDerWaalsContact O-CE 3.28Å; E185-K189 WeakPolarHBondContact O-CE 3.28Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.44Å; E185-K189 PolarHBondContact O-N 3.35Å; E185-K189 VanDerWaalsContact O-N 3.14Å; D186-K189 WeakPolarHBondContact O-CB 3.47Å; D186-K189 PolarHBondContact O-N 2.99Å; D186-K189 IonicContact OD1-NZ 3.8Å; D186-K189 PolarHBondContact OD1-NZ 2.84Å; K189-R191 PolarHBondContact O-N 3.24Å; K189-Q192 WeakPolarHBondContact O-CB 3.48Å; K189-Q192 PolarHBondContact O-N 2.94Å |
| 190 | L | 92.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.1 | -40.2 | 176.8 | -60.8 | 179.4 | 0 | 0 | 0 | 111.8 | V172 M175 D186 V187 Q192 I193 L199 A202 I203 V206 | V172-L190 HydrophobicContact CG1-CB 3.93Å; V172-L190 HydrophobicContact CG2-CB 3.84Å; V172-L190 HydrophobicContact CG2-CD1 4.06Å; M175-L190 HydrophobicContact CE-CD1 3.69Å; M175-L190 HydrophobicContact SD-CD1 4.2Å; D186-L190 PolarHBondContact O-N 3.24Å; D186-L190 VanDerWaalsContact O-N 3.16Å; V187-L190 PolarHBondContact O-N 2.93Å; L190-Q192 PolarHBondContact O-N 3.25Å; L190-Q192 VanDerWaalsContact O-N 3.14Å; L190-I193 PolarHBondContact O-N 2.93Å; L190-L199 HydrophobicContact CB-CD1 4.27Å; L190-L199 WeakPolarHBondContact O-CD1 3.28Å; L190-A202 HydrophobicContact CD2-CB 3.39Å; L190-I203 HydrophobicContact CD1-CG1 4.14Å; L190-I203 HydrophobicContact CD2-CG1 4.38Å; L190-V206 HydrophobicContact CD1-CB 4.31Å; L190-V206 HydrophobicContact CD1-CG2 4.23Å; L190-V206 HydrophobicContact CD2-CG2 4.24Å; L190-V206 HydrophobicContact CG-CG2 4.42Å |
| 191 | R | 90.5 | Very high | 91.1 | Very high | 161 Ų | 161 | 72.9 Ų | 72.9 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.9 | 178 | -61 | 178.5 | -171 | -163 | 0.2 | 114.7 | V172 V187 K188 K189 | V172-R191 HydrophobicContact CG1-CG 3.57Å; V187-R191 PolarHBondContact O-N 3.4Å; K188-R191 PolarHBondContact O-N 3.37Å; K189-R191 PolarHBondContact O-N 3.24Å |
| 192 | Q | 91.4 | Very high | 91.3 | Very high | 155 Ų | 155 | 68.9 Ų | 68.9 | 72% | 0.724 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -7.6 | 178.7 | -62.8 | 172.3 | -2.6 | 0 | 0 | 112.7 | K189 L190 | K189-Q192 WeakPolarHBondContact O-CB 3.48Å; K189-Q192 PolarHBondContact O-N 2.94Å; L190-Q192 PolarHBondContact O-N 3.25Å; L190-Q192 VanDerWaalsContact O-N 3.14Å |
| 193 | I | 91.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | trans | -91.9 | 115.7 | -178.3 | -52.4 | 171.6 | 0 | 0 | 0 | 109.1 | L190 P198 L199 A202 | L190-I193 PolarHBondContact O-N 2.93Å; I193-P198 HydrophobicContact CG2-CB 3.85Å; I193-L199 HydrophobicContact CB-CB 4.21Å; I193-L199 HydrophobicContact CB-CD1 4.29Å; I193-L199 HydrophobicContact CG2-CB 3.88Å; I193-A202 HydrophobicContact CD1-CB 3.59Å | ||
| 194 | T | 87.6 | Confident | 91.5 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 72% | 0.724 | 31% | 0.309 | S | S | * | . | trans | -79.7 | -36 | 175.5 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 195 | E | 89.3 | Confident | 91.5 | Very high | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.542 | 31% | 0.307 | S | S | . | . | trans | -79.6 | 126.9 | -170.2 | -52.2 | -43.3 | 117.8 | 0 | 0 | 112.3 | V197 P198 L199 | E195-V197 PolarHBondContact O-N 3.04Å; E195-P198 HydrophobicContact CB-CB 4.29Å; E195-P198 HydrophobicContact CB-CG 3.75Å; E195-P198 WeakPolarHBondContact O-CD 3.42Å; E195-L199 VanDerWaalsContact O-CB 3.23Å; E195-L199 WeakPolarHBondContact O-CB 3.34Å; E195-L199 PolarHBondContact O-N 2.8Å | ||
| 196 | I | 87.3 | Confident | 91.6 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | -170.9 | -65 | 170.3 | 0 | 0 | 0 | 112.5 | L108 I164 L199 L200 | L108-I196 HydrophobicContact CD1-CG2 4.02Å; I164-I196 HydrophobicContact CB-CD1 4.38Å; I164-I196 HydrophobicContact CB-CG2 4.47Å; I164-I196 HydrophobicContact CG2-CG2 3.63Å; I196-L199 PolarHBondContact O-N 3.31Å; I196-L200 HydrophobicContact CG2-CD1 3.91Å; I196-L200 HydrophobicContact CG2-CG 4.45Å; I196-L200 WeakPolarHBondContact O-CG 3.4Å; I196-L200 PolarHBondContact O-N 3.01Å |
| 197 | V | 89.7 | Confident | 91.6 | Very high | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.2 | -47.9 | -176.3 | 176.2 | 0 | 0 | 0 | 0 | 112 | W101 L104 E105 L108 E195 L199 L200 K201 | W101-V197 HydrophobicContact CE3-CG1 3.98Å; L104-V197 HydrophobicContact CD2-CG1 4.35Å; L104-V197 HydrophobicContact CD2-CG2 4Å; L104-V197 HydrophobicContact CG-CG2 4.06Å; E105-V197 HydrophobicContact CB-CG1 4.45Å; E105-V197 HydrophobicContact CB-CG2 4.22Å; L108-V197 HydrophobicContact CD1-CG2 3.67Å; E195-V197 PolarHBondContact O-N 3.04Å; V197-L199 VanDerWaalsContact C-N 3.31Å; V197-L199 PolarHBondContact O-N 2.94Å; V197-L200 PolarHBondContact O-N 2.88Å; V197-K201 VanDerWaalsContact O-CB 3.27Å; V197-K201 WeakPolarHBondContact O-CB 3.44Å; V197-K201 PolarHBondContact O-N 2.85Å |
| 198 | P | 91.7 | Very high | 91.5 | Very high | 57 Ų | 57 | 59.1 Ų | 59.1 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.5 | -40.1 | 168.4 | -30.6 | 38.5 | 0 | 0 | 0 | 114.2 | I193 E195 K201 A202 | I193-P198 HydrophobicContact CG2-CB 3.85Å; E195-P198 HydrophobicContact CB-CB 4.29Å; E195-P198 HydrophobicContact CB-CG 3.75Å; E195-P198 WeakPolarHBondContact O-CD 3.42Å; P198-K201 PolarHBondContact O-N 3Å; P198-A202 VanDerWaalsContact O-CB 3.32Å; P198-A202 WeakPolarHBondContact O-CB 3.12Å; P198-A202 PolarHBondContact O-N 3.45Å |
| 199 | L | 92.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -49.7 | 178.9 | 175.7 | 55.9 | 0 | 0 | 0 | 111.5 | V172 L190 I193 E195 I196 V197 K201 A202 I203 | V172-L199 HydrophobicContact CG2-CD1 4.28Å; L190-L199 HydrophobicContact CB-CD1 4.27Å; L190-L199 WeakPolarHBondContact O-CD1 3.28Å; I193-L199 HydrophobicContact CB-CB 4.21Å; I193-L199 HydrophobicContact CB-CD1 4.29Å; I193-L199 HydrophobicContact CG2-CB 3.88Å; E195-L199 VanDerWaalsContact O-CB 3.23Å; E195-L199 WeakPolarHBondContact O-CB 3.34Å; E195-L199 PolarHBondContact O-N 2.8Å; I196-L199 PolarHBondContact O-N 3.31Å; V197-L199 VanDerWaalsContact C-N 3.31Å; V197-L199 PolarHBondContact O-N 2.94Å; L199-K201 VanDerWaalsContact C-N 3.35Å; L199-K201 PolarHBondContact O-N 3.36Å; L199-A202 PolarHBondContact O-N 2.93Å; L199-I203 HydrophobicContact CD1-CD1 3.89Å; L199-I203 HydrophobicContact CD1-CG1 4.13Å; L199-I203 HydrophobicContact CG-CD1 3.87Å; L199-I203 WeakPolarHBondContact O-CB 3.26Å; L199-I203 VanDerWaalsContact O-CG1 3.32Å; L199-I203 WeakPolarHBondContact O-CG1 3.11Å; L199-I203 PolarHBondContact O-N 3.35Å |
| 200 | L | 90.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 175.7 | -71.4 | 171.6 | 0 | 0 | 0 | 111.5 | W101 L104 L121 I125 I196 V197 A202 I203 F204 | W101-L200 HydrophobicContact CH2-CB 4.38Å; W101-L200 HydrophobicContact CZ3-CB 4.11Å; L104-L200 HydrophobicContact CD2-CD1 4.2Å; L121-L200 HydrophobicContact CD1-CD1 4.36Å; I125-L200 HydrophobicContact CD1-CD2 4.01Å; I196-L200 HydrophobicContact CG2-CD1 3.91Å; I196-L200 HydrophobicContact CG2-CG 4.45Å; I196-L200 WeakPolarHBondContact O-CG 3.4Å; I196-L200 PolarHBondContact O-N 3.01Å; V197-L200 PolarHBondContact O-N 2.88Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.24Å; L200-I203 WeakPolarHBondContact O-CB 3.41Å; L200-I203 PolarHBondContact O-N 2.88Å; L200-F204 WeakPolarHBondContact O-CD2 3.37Å; L200-F204 PolarHBondContact O-N 3.22Å |
| 201 | K | 91.6 | Very high | 91.3 | Very high | 104 Ų | 104 | 55.7 Ų | 55.7 | 45% | 0.452 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 176.9 | -176.7 | 175.5 | 178.9 | -179.5 | 0 | 112.7 | W101 V197 P198 L199 S205 | W101-K201 HydrophobicContact CD2-CB 4.16Å; W101-K201 HydrophobicContact CD2-CD 4.25Å; W101-K201 HydrophobicContact CD2-CG 4.26Å; W101-K201 HydrophobicContact CE3-CB 4.31Å; W101-K201 HydrophobicContact CG-CD 4.16Å; W101-K201 HydrophobicContact CH2-CB 4.06Å; W101-K201 HydrophobicContact CZ2-CB 3.9Å; W101-K201 HydrophobicContact CZ2-CG 4.06Å; W101-K201 HydrophobicContact CZ3-CB 4.25Å; V197-K201 VanDerWaalsContact O-CB 3.27Å; V197-K201 WeakPolarHBondContact O-CB 3.44Å; V197-K201 PolarHBondContact O-N 2.85Å; P198-K201 PolarHBondContact O-N 3Å; L199-K201 VanDerWaalsContact C-N 3.35Å; L199-K201 PolarHBondContact O-N 3.36Å; K201-S205 PolarHBondContact O-N 3.42Å; K201-S205 PolarHBondContact O-OG 3.48Å |
| 202 | A | 93.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.5 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L190 I193 P198 L199 L200 F204 S205 V206 | L190-A202 HydrophobicContact CD2-CB 3.39Å; I193-A202 HydrophobicContact CD1-CB 3.59Å; P198-A202 VanDerWaalsContact O-CB 3.32Å; P198-A202 WeakPolarHBondContact O-CB 3.12Å; P198-A202 PolarHBondContact O-N 3.45Å; L199-A202 PolarHBondContact O-N 2.93Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.24Å; A202-F204 PolarHBondContact O-N 2.88Å; A202-S205 WeakPolarHBondContact O-CB 3.33Å; A202-S205 PolarHBondContact O-N 2.85Å; A202-S205 VanDerWaalsContact O-N 3.14Å; A202-V206 PolarHBondContact O-N 2.79Å |
| 203 | I | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.5 | -53.4 | 173.3 | -78.2 | 165.6 | 0 | 0 | 0 | 110.4 | I125 V171 V172 M175 L190 L199 L200 S205 V206 L207 | I125-I203 HydrophobicContact CD1-CG2 3.88Å; I125-I203 HydrophobicContact CG1-CG2 4.19Å; V171-I203 HydrophobicContact CG1-CD1 4.11Å; V171-I203 HydrophobicContact CG1-CG1 4.48Å; V171-I203 HydrophobicContact CG1-CG2 3.83Å; V172-I203 HydrophobicContact CG2-CD1 3.88Å; V172-I203 HydrophobicContact CG2-CG1 3.94Å; M175-I203 HydrophobicContact SD-CB 4.47Å; M175-I203 HydrophobicContact SD-CG1 4.29Å; M175-I203 HydrophobicContact SD-CG2 3.9Å; L190-I203 HydrophobicContact CD1-CG1 4.14Å; L190-I203 HydrophobicContact CD2-CG1 4.38Å; L199-I203 HydrophobicContact CD1-CD1 3.89Å; L199-I203 HydrophobicContact CD1-CG1 4.13Å; L199-I203 HydrophobicContact CG-CD1 3.87Å; L199-I203 WeakPolarHBondContact O-CB 3.26Å; L199-I203 VanDerWaalsContact O-CG1 3.32Å; L199-I203 WeakPolarHBondContact O-CG1 3.11Å; L199-I203 PolarHBondContact O-N 3.35Å; L200-I203 WeakPolarHBondContact O-CB 3.41Å; L200-I203 PolarHBondContact O-N 2.88Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.45Å; I203-V206 PolarHBondContact O-N 3.41Å; I203-V206 VanDerWaalsContact O-N 3.16Å; I203-L207 HydrophobicContact CG2-CD1 3.73Å; I203-L207 HydrophobicContact CG2-CG 4.23Å; I203-L207 WeakPolarHBondContact O-CB 3.38Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.49Å |
| 204 | F | 92.3 | Very high | 91 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.7 | -89.8 | -97.3 | 0 | 0 | 0 | 112.6 | W101 L121 E124 I125 L200 A202 V206 L207 D208 | W101-F204 HydrophobicContact CH2-CD2 4.35Å; L121-F204 HydrophobicContact CB-CE2 4Å; L121-F204 HydrophobicContact CB-CZ 4.2Å; L121-F204 HydrophobicContact CD2-CD2 4.37Å; L121-F204 HydrophobicContact CD2-CE1 4.23Å; L121-F204 HydrophobicContact CD2-CE2 3.52Å; L121-F204 HydrophobicContact CD2-CZ 3.44Å; L121-F204 VanDerWaalsContact CD2-CZ 3.44Å; L121-F204 HydrophobicContact CG-CE2 4.3Å; L121-F204 HydrophobicContact CG-CZ 4.43Å; E124-F204 HydrophobicContact CB-CE1 4.04Å; E124-F204 HydrophobicContact CB-CZ 3.84Å; E124-F204 WeakPolarHBondContact OE2-CE1 3.28Å; I125-F204 HydrophobicContact CD1-CD2 4.25Å; I125-F204 HydrophobicContact CD1-CE2 3.6Å; I125-F204 HydrophobicContact CD1-CZ 4.34Å; I125-F204 HydrophobicContact CG1-CD2 4.23Å; I125-F204 HydrophobicContact CG1-CE2 3.52Å; I125-F204 HydrophobicContact CG1-CZ 3.83Å; L200-F204 WeakPolarHBondContact O-CD2 3.37Å; L200-F204 PolarHBondContact O-N 3.22Å; A202-F204 PolarHBondContact O-N 2.88Å; F204-V206 VanDerWaalsContact C-N 3.32Å; F204-V206 PolarHBondContact O-N 2.97Å; F204-L207 PolarHBondContact O-N 3.36Å; F204-D208 PolarHBondContact O-N 2.87Å |
| 205 | S | 91.8 | Very high | 91 | Very high | 49 Ų | 49 | 40 Ų | 40 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -34.7 | 179 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | K201 A202 I203 L209 | K201-S205 PolarHBondContact O-N 3.42Å; K201-S205 PolarHBondContact O-OG 3.48Å; A202-S205 WeakPolarHBondContact O-CB 3.33Å; A202-S205 PolarHBondContact O-N 2.85Å; A202-S205 VanDerWaalsContact O-N 3.14Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.45Å; S205-L209 WeakPolarHBondContact O-CG 3.5Å |
| 206 | V | 93.8 | Very high | 91 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.1 | -35.9 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | M175 D186 L190 A202 I203 F204 D208 L209 M210 | M175-V206 HydrophobicContact CE-CB 3.69Å; M175-V206 HydrophobicContact CE-CG1 3.57Å; D186-V206 HydrophobicContact CB-CG1 4.39Å; D186-V206 HydrophobicContact CB-CG2 4.04Å; L190-V206 HydrophobicContact CD1-CB 4.31Å; L190-V206 HydrophobicContact CD1-CG2 4.23Å; L190-V206 HydrophobicContact CD2-CG2 4.24Å; L190-V206 HydrophobicContact CG-CG2 4.42Å; A202-V206 PolarHBondContact O-N 2.79Å; I203-V206 PolarHBondContact O-N 3.41Å; I203-V206 VanDerWaalsContact O-N 3.16Å; F204-V206 VanDerWaalsContact C-N 3.32Å; F204-V206 PolarHBondContact O-N 2.97Å; V206-D208 VanDerWaalsContact C-N 3.35Å; V206-D208 PolarHBondContact O-N 3.23Å; V206-L209 WeakPolarHBondContact O-CB 3.44Å; V206-L209 PolarHBondContact O-N 3.33Å; V206-M210 HydrophobicContact CG1-CG 4.45Å; V206-M210 HydrophobicContact CG1-SD 4.25Å; V206-M210 WeakPolarHBondContact O-CG 3.35Å; V206-M210 PolarHBondContact O-N 2.9Å |
| 207 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 174.3 | -74.1 | 175.1 | 0 | 0 | 0 | 112.3 | I125 T128 L129 F132 M175 I203 F204 L209 M210 K211 | I125-L207 HydrophobicContact CB-CD1 4.44Å; I125-L207 HydrophobicContact CG1-CD1 3.9Å; I125-L207 HydrophobicContact CG2-CD1 4.33Å; T128-L207 HydrophobicContact CG2-CB 4.18Å; T128-L207 HydrophobicContact CG2-CD1 4.33Å; T128-L207 HydrophobicContact CG2-CD2 4.08Å; T128-L207 HydrophobicContact CG2-CG 4.44Å; L129-L207 HydrophobicContact CD2-CD2 4.04Å; F132-L207 HydrophobicContact CE2-CD2 3.89Å; F132-L207 HydrophobicContact CZ-CD2 4.48Å; M175-L207 HydrophobicContact CE-CD2 3.9Å; M175-L207 HydrophobicContact CE-CG 3.83Å; M175-L207 HydrophobicContact CG-CD2 3.84Å; M175-L207 HydrophobicContact SD-CD2 3.95Å; M175-L207 HydrophobicContact SD-CG 4.09Å; I203-L207 HydrophobicContact CG2-CD1 3.73Å; I203-L207 HydrophobicContact CG2-CG 4.23Å; I203-L207 WeakPolarHBondContact O-CB 3.38Å; I203-L207 WeakPolarHBondContact O-CG 3.43Å; I203-L207 PolarHBondContact O-N 3.49Å; F204-L207 PolarHBondContact O-N 3.36Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 2.92Å; L207-M210 HydrophobicContact CD2-SD 4.23Å; L207-M210 PolarHBondContact O-N 3.13Å; L207-K211 WeakPolarHBondContact O-CG 3.46Å; L207-K211 PolarHBondContact O-N 3.25Å |
| 208 | D | 91.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.1 | -34.3 | 175.3 | -75.3 | -21.1 | 0 | 0 | 0 | 112.2 | F204 V206 K211 V212 | F204-D208 PolarHBondContact O-N 2.87Å; V206-D208 VanDerWaalsContact C-N 3.35Å; V206-D208 PolarHBondContact O-N 3.23Å; D208-K211 IonicContact OD1-NZ 3.57Å; D208-K211 PolarHBondContact OD1-NZ 2.75Å; D208-V212 PolarHBondContact O-N 3.23Å |
| 209 | L | 91.5 | Very high | 90.6 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 170.3 | -67.4 | 168.4 | 0 | 0 | 0 | 111.5 | S205 V206 L207 K211 V212 D213 | S205-L209 WeakPolarHBondContact O-CG 3.5Å; V206-L209 WeakPolarHBondContact O-CB 3.44Å; V206-L209 PolarHBondContact O-N 3.33Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 2.92Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 2.96Å; L209-V212 WeakPolarHBondContact O-CB 3.41Å; L209-V212 PolarHBondContact O-N 3.42Å; L209-V212 VanDerWaalsContact O-N 3.13Å; L209-D213 VanDerWaalsContact O-CG 3.24Å; L209-D213 PolarHBondContact O-N 3.25Å |
| 210 | M | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 174.8 | -70.7 | 172.8 | 65.2 | 0 | 0 | 112.5 | F132 M175 L178 C179 V206 L207 V212 D213 M214 | F132-M210 HydrophobicContact CD2-CE 3.93Å; F132-M210 HydrophobicContact CE2-CB 3.84Å; F132-M210 HydrophobicContact CE2-CE 3.73Å; F132-M210 HydrophobicContact CE2-SD 4.45Å; F132-M210 HydrophobicContact CZ-CB 3.73Å; M175-M210 HydrophobicContact CB-CE 4.45Å; M175-M210 HydrophobicContact CB-SD 4.18Å; M175-M210 HydrophobicContact CE-SD 4Å; M175-M210 HydrophobicContact CG-SD 4.23Å; L178-M210 HydrophobicContact CB-CE 4.13Å; C179-M210 HydrophobicContact CB-CE 3.83Å; C179-M210 HydrophobicContact CB-CG 4.23Å; C179-M210 HydrophobicContact CB-SD 3.98Å; V206-M210 HydrophobicContact CG1-CG 4.45Å; V206-M210 HydrophobicContact CG1-SD 4.25Å; V206-M210 WeakPolarHBondContact O-CG 3.35Å; V206-M210 PolarHBondContact O-N 2.9Å; L207-M210 HydrophobicContact CD2-SD 4.23Å; L207-M210 PolarHBondContact O-N 3.13Å; M210-V212 VanDerWaalsContact C-N 3.3Å; M210-V212 PolarHBondContact O-N 2.85Å; M210-D213 PolarHBondContact O-N 3.49Å; M210-M214 WeakPolarHBondContact O-CB 3.5Å; M210-M214 VanDerWaalsContact O-CG 3.29Å; M210-M214 WeakPolarHBondContact O-CG 3.44Å; M210-M214 PolarHBondContact O-N 3.45Å |
| 211 | K | 90.6 | Very high | 90.1 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 171.7 | -69.6 | 167.7 | -163.8 | 164.6 | 0 | 111.2 | T128 F132 L207 D208 L209 A215 | T128-K211 HydrophobicContact CG2-CG 4.45Å; F132-K211 HydrophobicContact CE1-CB 4.37Å; F132-K211 HydrophobicContact CE1-CG 3.72Å; F132-K211 HydrophobicContact CZ-CG 3.88Å; L207-K211 WeakPolarHBondContact O-CG 3.46Å; L207-K211 PolarHBondContact O-N 3.25Å; D208-K211 IonicContact OD1-NZ 3.57Å; D208-K211 PolarHBondContact OD1-NZ 2.75Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 2.96Å; K211-A215 WeakPolarHBondContact O-CB 3.39Å; K211-A215 PolarHBondContact O-N 3.42Å |
| 212 | V | 90.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.2 | -42.4 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V78 P80 D208 L209 M210 M214 A215 N216 | V78-V212 WeakPolarHBondContact O-CG1 3.37Å; P80-V212 HydrophobicContact CG-CG2 4.34Å; D208-V212 PolarHBondContact O-N 3.23Å; L209-V212 WeakPolarHBondContact O-CB 3.41Å; L209-V212 PolarHBondContact O-N 3.42Å; L209-V212 VanDerWaalsContact O-N 3.13Å; M210-V212 VanDerWaalsContact C-N 3.3Å; M210-V212 PolarHBondContact O-N 2.85Å; V212-M214 PolarHBondContact O-N 2.92Å; V212-A215 PolarHBondContact O-N 2.87Å; V212-N216 WeakPolarHBondContact CG1-ND2 3.41Å; V212-N216 WeakPolarHBondContact O-CB 3.23Å; V212-N216 PolarHBondContact O-N 3.49Å; V212-N216 PolarHBondContact O-ND2 3.42Å |
| 213 | D | 90.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.2 | -61.5 | -26 | 0 | 0 | 0 | 111.2 | R183 L209 M210 N216 F217 | R183-D213 WeakPolarHBondContact CG-OD2 3.39Å; R183-D213 IonicContact CZ-OD1 3.9Å; R183-D213 IonicContact CZ-OD2 2.95Å; R183-D213 IonicContact NE-OD1 2.8Å; R183-D213 IonicContact NE-OD2 3.67Å; R183-D213 PolarHBondContact NE-OD2 2.68Å; R183-D213 IonicContact NH2-OD1 3.71Å; R183-D213 PolarHBondContact NH2-OD1 2.84Å; R183-D213 IonicContact NH2-OD2 3.02Å; R183-D213 PolarHBondContact NH2-OD2 3.45Å; L209-D213 VanDerWaalsContact O-CG 3.24Å; L209-D213 PolarHBondContact O-N 3.25Å; M210-D213 PolarHBondContact O-N 3.49Å; D213-N216 PolarHBondContact O-N 3.09Å; D213-F217 WeakPolarHBondContact O-CB 3.39Å; D213-F217 PolarHBondContact O-N 3.44Å |
| 214 | M | 87.2 | Confident | 88.9 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 177.4 | -74.6 | -59.2 | -65.2 | 0 | 0 | 112.9 | F132 M210 V212 N216 F217 A218 | F132-M214 HydrophobicContact CB-CE 4.49Å; F132-M214 HydrophobicContact CB-CG 4.49Å; F132-M214 HydrophobicContact CD1-CB 4.38Å; F132-M214 HydrophobicContact CD1-CG 3.86Å; F132-M214 HydrophobicContact CE1-CG 4.33Å; F132-M214 HydrophobicContact CG-CG 4.23Å; M210-M214 WeakPolarHBondContact O-CB 3.5Å; M210-M214 VanDerWaalsContact O-CG 3.29Å; M210-M214 WeakPolarHBondContact O-CG 3.44Å; M210-M214 PolarHBondContact O-N 3.45Å; V212-M214 PolarHBondContact O-N 2.92Å; M214-N216 VanDerWaalsContact C-N 3.29Å; M214-N216 PolarHBondContact O-N 3.05Å; M214-F217 PolarHBondContact O-N 2.6Å; M214-A218 WeakPolarHBondContact O-CB 3.3Å; M214-A218 PolarHBondContact O-N 2.8Å |
| 215 | A | 87.9 | Confident | 88.6 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K211 V212 A218 L219 | K211-A215 WeakPolarHBondContact O-CB 3.39Å; K211-A215 PolarHBondContact O-N 3.42Å; V212-A215 PolarHBondContact O-N 2.87Å; A215-A218 PolarHBondContact O-N 2.91Å; A215-L219 VanDerWaalsContact O-CB 3.28Å; A215-L219 WeakPolarHBondContact O-CB 3.24Å; A215-L219 PolarHBondContact O-N 3.46Å |
| 216 | N | 89.3 | Confident | 88.2 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 176 | -78.5 | -54.5 | 0 | 0 | 0 | 113.2 | Q77 V78 V212 D213 M214 K220 | Q77-N216 WeakPolarHBondContact CA-OD1 3.44Å; Q77-N216 WeakPolarHBondContact CB-OD1 3.37Å; V78-N216 PolarHBondContact N-OD1 2.91Å; V78-N216 PolarHBondContact O-ND2 3.34Å; V212-N216 WeakPolarHBondContact CG1-ND2 3.41Å; V212-N216 WeakPolarHBondContact O-CB 3.23Å; V212-N216 PolarHBondContact O-N 3.49Å; V212-N216 PolarHBondContact O-ND2 3.42Å; D213-N216 PolarHBondContact O-N 3.09Å; M214-N216 VanDerWaalsContact C-N 3.29Å; M214-N216 PolarHBondContact O-N 3.05Å; N216-K220 WeakPolarHBondContact O-CB 3.49Å; N216-K220 WeakPolarHBondContact O-CD 3.22Å; N216-K220 WeakPolarHBondContact O-CG 3.48Å; N216-K220 PolarHBondContact O-N 3.01Å |
| 217 | F | 87.2 | Confident | 87.7 | Confident | 116 Ų | 116 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 173.4 | 174.7 | -100.7 | 0 | 0 | 0 | 112.1 | D213 M214 L219 K220 S221 | D213-F217 WeakPolarHBondContact O-CB 3.39Å; D213-F217 PolarHBondContact O-N 3.44Å; M214-F217 PolarHBondContact O-N 2.6Å; F217-L219 VanDerWaalsContact C-N 3.35Å; F217-L219 PolarHBondContact O-N 2.96Å; F217-K220 PolarHBondContact O-N 3.48Å; F217-S221 WeakPolarHBondContact O-CB 3.49Å; F217-S221 PolarHBondContact O-N 3.17Å; F217-S221 PolarHBondContact O-OG 3.13Å |
| 218 | A | 86.9 | Confident | 87.3 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | M214 A215 K220 S221 I222 | M214-A218 WeakPolarHBondContact O-CB 3.3Å; M214-A218 PolarHBondContact O-N 2.8Å; A215-A218 PolarHBondContact O-N 2.91Å; A218-K220 PolarHBondContact O-N 2.97Å; A218-S221 PolarHBondContact O-N 3.1Å; A218-I222 WeakPolarHBondContact O-CG2 3.48Å; A218-I222 PolarHBondContact O-N 3.21Å |
| 219 | L | 86.8 | Confident | 87.1 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.4 | -170.4 | 63.2 | 0 | 0 | 0 | 112.1 | I70 F76 V78 A215 F217 S221 I222 K223 | I70-L219 HydrophobicContact CG1-CD2 4.49Å; I70-L219 HydrophobicContact CG2-CD1 3.84Å; F76-L219 HydrophobicContact CD1-CD2 3.62Å; F76-L219 HydrophobicContact CE1-CD2 3.65Å; V78-L219 HydrophobicContact CG2-CD2 4.41Å; A215-L219 VanDerWaalsContact O-CB 3.28Å; A215-L219 WeakPolarHBondContact O-CB 3.24Å; A215-L219 PolarHBondContact O-N 3.46Å; F217-L219 VanDerWaalsContact C-N 3.35Å; F217-L219 PolarHBondContact O-N 2.96Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.41Å; L219-I222 PolarHBondContact O-N 3.37Å; L219-K223 VanDerWaalsContact O-CB 3.22Å; L219-K223 WeakPolarHBondContact O-CB 3.37Å; L219-K223 PolarHBondContact O-N 3.18Å |
| 220 | K | 86 | Confident | 87 | Confident | 118 Ų | 118 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 175.7 | -74.5 | 165.7 | -173.5 | 169.8 | 0 | 112.4 | N216 F217 A218 | N216-K220 WeakPolarHBondContact O-CB 3.49Å; N216-K220 WeakPolarHBondContact O-CD 3.22Å; N216-K220 WeakPolarHBondContact O-CG 3.48Å; N216-K220 PolarHBondContact O-N 3.01Å; F217-K220 PolarHBondContact O-N 3.48Å; A218-K220 PolarHBondContact O-N 2.97Å |
| 221 | S | 85.4 | Confident | 86.9 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.8 | -36.4 | 180 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | F217 A218 L219 P224 | F217-S221 WeakPolarHBondContact O-CB 3.49Å; F217-S221 PolarHBondContact O-N 3.17Å; F217-S221 PolarHBondContact O-OG 3.13Å; A218-S221 PolarHBondContact O-N 3.1Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.41Å; S221-P224 WeakPolarHBondContact O-CD 3.27Å |
| 222 | I | 86 | Confident | 86.9 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -87.6 | -24.5 | -179.2 | -157.3 | 174.7 | 0 | 0 | 0 | 113.5 | A218 L219 P224 H225 L226 | A218-I222 WeakPolarHBondContact O-CG2 3.48Å; A218-I222 PolarHBondContact O-N 3.21Å; L219-I222 PolarHBondContact O-N 3.37Å; I222-P224 VanDerWaalsContact C-N 3.33Å; I222-P224 VanDerWaalsContact O-N 3.14Å; I222-H225 WeakPolarHBondContact O-CA 3.28Å; I222-H225 WeakPolarHBondContact O-CB 3.43Å; I222-H225 PolarHBondContact O-N 3.14Å; I222-L226 HydrophobicContact CD1-CD2 4.27Å; I222-L226 HydrophobicContact CG1-CD2 4.26Å; I222-L226 HydrophobicContact CG1-CG 4.16Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.19Å; I222-L226 PolarHBondContact O-N 3.39Å |
| 223 | K | 84.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -48.3 | -38.1 | -179.5 | 177.8 | 164.6 | 177.5 | 156.8 | 0 | 115.4 | I70 M71 N73 L219 H225 L226 | I70-K223 WeakPolarHBondContact O-CD 3.45Å; I70-K223 WeakPolarHBondContact O-CE 3.41Å; I70-K223 PolarHBondContact O-NZ 3.07Å; M71-K223 HydrophobicContact CE-CG 4.14Å; M71-K223 WeakPolarHBondContact O-CE 3.48Å; M71-K223 PolarHBondContact O-NZ 3.49Å; M71-K223 HydrophobicContact SD-CG 4.1Å; N73-K223 PolarHBondContact O-NZ 3.36Å; L219-K223 VanDerWaalsContact O-CB 3.22Å; L219-K223 WeakPolarHBondContact O-CB 3.37Å; L219-K223 PolarHBondContact O-N 3.18Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.34Å; K223-L226 PolarHBondContact O-N 3.43Å |
| 224 | P | 83.8 | Confident | 87 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -33.9 | 173 | -24.1 | 35.5 | 0 | 0 | 0 | 114 | S221 I222 | S221-P224 WeakPolarHBondContact O-CD 3.27Å; I222-P224 VanDerWaalsContact C-N 3.33Å; I222-P224 VanDerWaalsContact O-N 3.14Å |
| 225 | H | 85 | Confident | 87.2 | Confident | 143 Ų | 143 | 69.8 Ų | 69.8 | 66% | 0.662 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -81.9 | -30.7 | 179.4 | -59.7 | -81.9 | 0 | 0 | 0 | 112.4 | I222 K223 M227 | I222-H225 WeakPolarHBondContact O-CA 3.28Å; I222-H225 WeakPolarHBondContact O-CB 3.43Å; I222-H225 PolarHBondContact O-N 3.14Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.34Å; H225-M227 PolarHBondContact O-N 3.48Å |
| 226 | L | 84.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.8 | -16.2 | 177.3 | -64.4 | -175.3 | 0 | 0 | 0 | 114 | M71 I222 K223 Q228 L229 S230 | M71-L226 HydrophobicContact SD-CB 3.88Å; I222-L226 HydrophobicContact CD1-CD2 4.27Å; I222-L226 HydrophobicContact CG1-CD2 4.26Å; I222-L226 HydrophobicContact CG1-CG 4.16Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.19Å; I222-L226 PolarHBondContact O-N 3.39Å; K223-L226 PolarHBondContact O-N 3.43Å; L226-Q228 PolarHBondContact O-N 2.93Å; L226-L229 HydrophobicContact CD2-CD1 4.44Å; L226-L229 PolarHBondContact O-N 3.18Å; L226-S230 WeakPolarHBondContact O-CB 3.35Å; L226-S230 PolarHBondContact O-N 2.84Å |
| 227 | M | 83.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.8 | -42.7 | -172.2 | -176 | 64 | 72.1 | 0 | 0 | 114.8 | M71 H225 S230 V231 Y468 | M71-M227 HydrophobicContact CE-CB 3.96Å; M71-M227 HydrophobicContact CE-CE 3.51Å; M71-M227 HydrophobicContact CE-CG 4.45Å; M71-M227 HydrophobicContact CE-SD 3.7Å; H225-M227 PolarHBondContact O-N 3.48Å; M227-S230 PolarHBondContact O-OG 2.83Å; M227-S230 VanDerWaalsContact O-OG 3.12Å; M227-V231 WeakPolarHBondContact O-CG2 3.2Å; M227-V231 PolarHBondContact O-N 2.91Å; M227-Y468 HydrophobicContact SD-CD2 3.8Å; M227-Y468 HydrophobicContact SD-CE2 3.78Å |
| 228 | Q | 83.1 | Confident | 87.5 | Confident | 153 Ų | 153 | 69.9 Ų | 69.9 | 72% | 0.715 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73.8 | -44.4 | 178.9 | -71.4 | 177 | -29.8 | 0 | 0 | 111.2 | L226 S230 V231 E232 | L226-Q228 PolarHBondContact O-N 2.93Å; Q228-S230 VanDerWaalsContact C-N 3.31Å; Q228-S230 PolarHBondContact O-N 2.99Å; Q228-V231 PolarHBondContact O-N 3.3Å; Q228-E232 PolarHBondContact O-N 3.48Å; Q228-E232 VanDerWaalsContact O-N 3.1Å |
| 229 | L | 87.6 | Confident | 87.6 | Confident | 109 Ų | 109 | 71 Ų | 71 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.3 | -36.1 | 179.2 | -62.2 | 172.6 | 0 | 0 | 0 | 112.4 | L226 Y233 | L226-L229 HydrophobicContact CD2-CD1 4.44Å; L226-L229 PolarHBondContact O-N 3.18Å; L229-Y233 VanDerWaalsContact O-CB 3.23Å; L229-Y233 WeakPolarHBondContact O-CB 3.41Å; L229-Y233 PolarHBondContact O-N 3.47Å |
| 230 | S | 88.5 | Confident | 87.7 | Confident | 11 Ų | 11 | 73.6 Ų | 73.6 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 177.6 | 75 | 0 | 0 | 0 | 0 | 112.1 | M71 L226 M227 Q228 E232 Y233 E234 Y468 | M71-S230 WeakPolarHBondContact CG-OG 3.39Å; L226-S230 WeakPolarHBondContact O-CB 3.35Å; L226-S230 PolarHBondContact O-N 2.84Å; M227-S230 PolarHBondContact O-OG 2.83Å; M227-S230 VanDerWaalsContact O-OG 3.12Å; Q228-S230 VanDerWaalsContact C-N 3.31Å; Q228-S230 PolarHBondContact O-N 2.99Å; S230-E232 VanDerWaalsContact C-N 3.34Å; S230-Y233 PolarHBondContact O-N 3.45Å; S230-E234 WeakPolarHBondContact O-CB 3.43Å; S230-E234 PolarHBondContact O-N 3.19Å; S230-Y468 WeakPolarHBondContact CB-OH 3.2Å; S230-Y468 PolarHBondContact OG-OH 3.18Å |
| 231 | V | 90.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.7 | 166 | 0 | 0 | 0 | 0 | 111.4 | M227 Q228 R235 Y468 L471 V472 | M227-V231 WeakPolarHBondContact O-CG2 3.2Å; M227-V231 PolarHBondContact O-N 2.91Å; Q228-V231 PolarHBondContact O-N 3.3Å; V231-R235 WeakPolarHBondContact O-CB 3.37Å; V231-R235 PolarHBondContact O-N 3.16Å; V231-R235 VanDerWaalsContact O-N 3.17Å; V231-Y468 HydrophobicContact CG2-CD2 4.46Å; V231-Y468 HydrophobicContact CG2-CE2 3.92Å; V231-L471 HydrophobicContact CG1-CB 4.16Å; V231-L471 WeakPolarHBondContact CG1-O 3.48Å; V231-L471 HydrophobicContact CG2-CB 3.89Å; V231-V472 HydrophobicContact CG2-CG2 4.21Å |
| 232 | E | 90.9 | Very high | 87.8 | Confident | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 174.5 | -69.9 | 173.8 | -175.4 | 0 | 0 | 111.8 | Q228 S230 R235 N236 | Q228-E232 PolarHBondContact O-N 3.48Å; Q228-E232 VanDerWaalsContact O-N 3.1Å; S230-E232 VanDerWaalsContact C-N 3.34Å; E232-R235 PolarHBondContact O-N 3.45Å; E232-N236 VanDerWaalsContact O-CB 3.31Å; E232-N236 WeakPolarHBondContact O-CB 3.33Å; E232-N236 PolarHBondContact O-N 3.46Å; E232-N236 PolarHBondContact O-ND2 2.83Å; E232-N236 PolarHBondContact O-OD1 3.01Å |
| 233 | Y | 90.3 | Very high | 87.8 | Confident | 82 Ų | 82 | 73 Ų | 73 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 178.4 | 176.6 | -104.4 | 0 | 0 | 0 | 112.7 | A67 L229 S230 N236 K237 | A67-Y233 HydrophobicContact CB-CD1 4.04Å; A67-Y233 HydrophobicContact CB-CE1 3.9Å; L229-Y233 VanDerWaalsContact O-CB 3.23Å; L229-Y233 WeakPolarHBondContact O-CB 3.41Å; L229-Y233 PolarHBondContact O-N 3.47Å; S230-Y233 PolarHBondContact O-N 3.45Å; Y233-N236 PolarHBondContact O-N 3.12Å; Y233-K237 HydrophobicContact CD2-CG 4.49Å; Y233-K237 HydrophobicContact CE1-CG 4.49Å; Y233-K237 HydrophobicContact CE2-CG 4.13Å; Y233-K237 WeakPolarHBondContact O-CB 3.3Å; Y233-K237 WeakPolarHBondContact O-CG 3.5Å; Y233-K237 PolarHBondContact O-N 3.11Å |
| 234 | E | 92 | Very high | 87.8 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -180 | -166.1 | 177.5 | 140.7 | 0 | 0 | 111.2 | M64 H68 S230 K237 F238 M307 Y468 V472 | M64-E234 HydrophobicContact CG-CG 4.27Å; M64-E234 HydrophobicContact SD-CG 4.5Å; H68-E234 IonicContact CE1-OE1 3.46Å; H68-E234 IonicContact CG-OE2 3.88Å; H68-E234 VanDerWaalsContact ND1-CD 3.3Å; H68-E234 IonicContact ND1-OE1 3.84Å; H68-E234 PolarHBondContact ND1-OE1 2.84Å; H68-E234 IonicContact ND1-OE2 2.67Å; H68-E234 PolarHBondContact ND1-OE2 3.03Å; S230-E234 WeakPolarHBondContact O-CB 3.43Å; S230-E234 PolarHBondContact O-N 3.19Å; E234-K237 PolarHBondContact O-N 2.95Å; E234-F238 WeakPolarHBondContact O-CB 3.46Å; E234-F238 PolarHBondContact O-N 3.42Å; E234-M307 HydrophobicContact CG-CE 4.22Å; E234-M307 VanDerWaalsContact OE1-CE 3.26Å; E234-M307 WeakPolarHBondContact OE1-CE 3.43Å; E234-Y468 WeakPolarHBondContact OE2-CE1 3.24Å; E234-Y468 PolarHBondContact OE2-OH 3.09Å; E234-V472 HydrophobicContact CB-CG1 3.98Å; E234-V472 HydrophobicContact CB-CG2 4.24Å; E234-V472 HydrophobicContact CG-CG1 3.86Å; E234-V472 HydrophobicContact CG-CG2 4.36Å |
| 235 | R | 92.1 | Very high | 87.7 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176 | -172.5 | -170 | -62.7 | 147.9 | 1.6 | 112.1 | V231 E232 F238 Q239 L471 V472 F476 | V231-R235 WeakPolarHBondContact O-CB 3.37Å; V231-R235 PolarHBondContact O-N 3.16Å; V231-R235 VanDerWaalsContact O-N 3.17Å; E232-R235 PolarHBondContact O-N 3.45Å; R235-F238 PolarHBondContact O-N 2.57Å; R235-Q239 WeakPolarHBondContact O-CB 3.16Å; R235-Q239 PolarHBondContact O-N 2.95Å; R235-L471 PolarHBondContact NH2-O 3.34Å; R235-V472 HydrophobicContact CB-CG1 4.25Å; R235-V472 PolarHBondContact NE-O 3.33Å; R235-F476 HydrophobicContact CG-CE2 3.93Å; R235-F476 HydrophobicContact CG-CZ 3.89Å |
| 236 | N | 91.5 | Very high | 87.1 | Confident | 95 Ų | 95 | 76 Ų | 76 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 179.2 | -69.5 | -13.9 | 0 | 0 | 0 | 111.2 | E232 Y233 F238 Q239 E240 | E232-N236 VanDerWaalsContact O-CB 3.31Å; E232-N236 WeakPolarHBondContact O-CB 3.33Å; E232-N236 PolarHBondContact O-N 3.46Å; E232-N236 PolarHBondContact O-ND2 2.83Å; E232-N236 PolarHBondContact O-OD1 3.01Å; Y233-N236 PolarHBondContact O-N 3.12Å; N236-F238 VanDerWaalsContact C-N 3.33Å; N236-F238 PolarHBondContact O-N 3.34Å; N236-Q239 WeakPolarHBondContact O-CB 3.4Å; N236-Q239 PolarHBondContact O-N 3.34Å; N236-E240 WeakPolarHBondContact O-CG 3.28Å; N236-E240 PolarHBondContact O-N 3.42Å |
| 237 | K | 89 | Confident | 86.6 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 175.5 | -76.2 | -80.4 | 164.3 | -101.1 | 0 | 112.8 | M64 Y233 E234 E240 F241 | M64-K237 HydrophobicContact CG-CB 4.38Å; M64-K237 HydrophobicContact SD-CB 3.76Å; Y233-K237 HydrophobicContact CD2-CG 4.49Å; Y233-K237 HydrophobicContact CE1-CG 4.49Å; Y233-K237 HydrophobicContact CE2-CG 4.13Å; Y233-K237 WeakPolarHBondContact O-CB 3.3Å; Y233-K237 WeakPolarHBondContact O-CG 3.5Å; Y233-K237 PolarHBondContact O-N 3.11Å; E234-K237 PolarHBondContact O-N 2.95Å; K237-E240 IonicContact NZ-OE1 3.79Å; K237-E240 PolarHBondContact NZ-OE1 3.17Å; K237-E240 IonicContact NZ-OE2 2.59Å; K237-E240 PolarHBondContact NZ-OE2 3.33Å; K237-F241 PolarHBondContact O-N 3.24Å |
| 238 | F | 89.3 | Confident | 86.6 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 172.2 | -164.6 | -105 | 0 | 0 | 0 | 112.4 | E234 R235 N236 F241 L242 L249 T304 F473 F476 | E234-F238 WeakPolarHBondContact O-CB 3.46Å; E234-F238 PolarHBondContact O-N 3.42Å; R235-F238 PolarHBondContact O-N 2.57Å; N236-F238 VanDerWaalsContact C-N 3.33Å; N236-F238 PolarHBondContact O-N 3.34Å; F238-F241 HydrophobicContact CD2-CD1 4.3Å; F238-F241 HydrophobicContact CE2-CD1 4.17Å; F238-F241 WeakPolarHBondContact O-CB 3.41Å; F238-F241 PolarHBondContact O-N 2.99Å; F238-F241 VanDerWaalsContact O-N 3.15Å; F238-L242 HydrophobicContact CD1-CD1 3.9Å; F238-L242 HydrophobicContact CD1-CD2 4.48Å; F238-L242 HydrophobicContact CD1-CG 4.03Å; F238-L242 HydrophobicContact CE1-CD1 3.81Å; F238-L242 HydrophobicContact CE1-CD2 3.91Å; F238-L242 HydrophobicContact CE1-CG 3.93Å; F238-L242 HydrophobicContact CZ-CD2 4.18Å; F238-L242 WeakPolarHBondContact O-CG 3.49Å; F238-L242 PolarHBondContact O-N 3.21Å; F238-L249 HydrophobicContact CE1-CD2 4.01Å; F238-L249 HydrophobicContact CZ-CD2 3.89Å; F238-T304 HydrophobicContact CE1-CG2 4.12Å; F238-T304 HydrophobicContact CZ-CG2 3.9Å; F238-F473 HydrophobicContact CB-CE1 4.11Å; F238-F473 AromaticContact CD1-CD1 3.95Å; F238-F473 HydrophobicContact CD1-CD1 3.95Å; F238-F473 AromaticContact CD1-CE1 3.73Å; F238-F473 HydrophobicContact CD1-CE1 3.73Å; F238-F473 AromaticContact CD2-CE1 3.72Å; F238-F473 HydrophobicContact CD2-CE1 3.72Å; F238-F473 HydrophobicContact CD2-CZ 4.49Å; F238-F473 HydrophobicContact CE1-CD1 4.02Å; F238-F473 AromaticContact CE1-CE1 3.96Å; F238-F473 HydrophobicContact CE1-CE1 3.96Å; F238-F473 AromaticContact CE2-CE1 3.97Å; F238-F473 HydrophobicContact CE2-CE1 3.97Å; F238-F473 HydrophobicContact CG-CD1 4.27Å; F238-F473 AromaticContact CG-CE1 3.59Å; F238-F473 HydrophobicContact CG-CE1 3.59Å; F238-F473 HydrophobicContact CZ-CD1 4.44Å; F238-F473 HydrophobicContact CZ-CE1 4.08Å; F238-F476 AromaticContact CD1-CD2 3.97Å; F238-F476 HydrophobicContact CD1-CD2 3.97Å; F238-F476 HydrophobicContact CD1-CE1 4.34Å; F238-F476 AromaticContact CD1-CE2 3.61Å; F238-F476 HydrophobicContact CD1-CE2 3.61Å; F238-F476 HydrophobicContact CD1-CG 4.49Å; F238-F476 AromaticContact CD1-CZ 3.81Å; F238-F476 HydrophobicContact CD1-CZ 3.81Å; F238-F476 HydrophobicContact CE1-CD2 4.19Å; F238-F476 HydrophobicContact CE1-CE2 4.29Å; F238-F476 HydrophobicContact CE1-CG 4.46Å |
| 239 | Q | 89.8 | Confident | 86.8 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 36% | 0.36 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -45 | 173.6 | 177 | 60.5 | 36.5 | 0 | 0 | 111.7 | R235 N236 F241 L242 E243 | R235-Q239 WeakPolarHBondContact O-CB 3.16Å; R235-Q239 PolarHBondContact O-N 2.95Å; N236-Q239 WeakPolarHBondContact O-CB 3.4Å; N236-Q239 PolarHBondContact O-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.14Å; Q239-L242 PolarHBondContact O-N 2.94Å; Q239-E243 WeakPolarHBondContact CG-OE1 3.42Å; Q239-E243 PolarHBondContact NE2-OE1 2.65Å; Q239-E243 WeakPolarHBondContact O-CG 3.27Å; Q239-E243 PolarHBondContact O-N 3.39Å |
| 240 | E | 88.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.7 | -37.2 | 172.4 | -71.3 | 166.8 | -138.2 | 0 | 0 | 112.5 | N236 K237 K244 | N236-E240 WeakPolarHBondContact O-CG 3.28Å; N236-E240 PolarHBondContact O-N 3.42Å; K237-E240 IonicContact NZ-OE1 3.79Å; K237-E240 PolarHBondContact NZ-OE1 3.17Å; K237-E240 IonicContact NZ-OE2 2.59Å; K237-E240 PolarHBondContact NZ-OE2 3.33Å; E240-K244 PolarHBondContact O-N 3.31Å |
| 241 | F | 85.4 | Confident | 86.9 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 40% | 0.395 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 176.3 | 172.2 | -107.7 | 0 | 0 | 0 | 112.3 | K237 F238 Q239 E243 K244 Q245 A248 | K237-F241 PolarHBondContact O-N 3.24Å; F238-F241 HydrophobicContact CD2-CD1 4.3Å; F238-F241 HydrophobicContact CE2-CD1 4.17Å; F238-F241 WeakPolarHBondContact O-CB 3.41Å; F238-F241 PolarHBondContact O-N 2.99Å; F238-F241 VanDerWaalsContact O-N 3.15Å; Q239-F241 PolarHBondContact O-N 3.14Å; F241-E243 VanDerWaalsContact C-N 3.29Å; F241-E243 PolarHBondContact O-N 3.31Å; F241-K244 PolarHBondContact O-N 3.15Å; F241-K244 VanDerWaalsContact O-N 3.14Å; F241-Q245 PolarHBondContact O-N 3.22Å; F241-A248 HydrophobicContact CD1-CB 4.42Å; F241-A248 HydrophobicContact CE1-CB 3.58Å; F241-A248 HydrophobicContact CZ-CB 3.92Å |
| 242 | L | 86.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -33.2 | 175.4 | -64.5 | -178.7 | 0 | 0 | 0 | 112.8 | F238 Q239 K244 Q245 P246 A248 L249 F476 | F238-L242 HydrophobicContact CD1-CD1 3.9Å; F238-L242 HydrophobicContact CD1-CD2 4.48Å; F238-L242 HydrophobicContact CD1-CG 4.03Å; F238-L242 HydrophobicContact CE1-CD1 3.81Å; F238-L242 HydrophobicContact CE1-CD2 3.91Å; F238-L242 HydrophobicContact CE1-CG 3.93Å; F238-L242 HydrophobicContact CZ-CD2 4.18Å; F238-L242 WeakPolarHBondContact O-CG 3.49Å; F238-L242 PolarHBondContact O-N 3.21Å; Q239-L242 PolarHBondContact O-N 2.94Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-Q245 CarbonylContact O-C 3.11Å; L242-Q245 PolarHBondContact O-N 2.95Å; L242-P246 WeakPolarHBondContact O-CA 3.36Å; L242-A248 HydrophobicContact CD2-CB 4.19Å; L242-L249 HydrophobicContact CD1-CD1 3.86Å; L242-L249 HydrophobicContact CD2-CD1 3.77Å; L242-L249 HydrophobicContact CD2-CD2 4.4Å; L242-L249 HydrophobicContact CD2-CG 3.73Å; L242-L249 HydrophobicContact CG-CD1 4.5Å; L242-F476 HydrophobicContact CD1-CD1 3.61Å; L242-F476 HydrophobicContact CD1-CE1 3.6Å; L242-F476 HydrophobicContact CD1-CG 4.41Å; L242-F476 HydrophobicContact CD1-CZ 4.38Å |
| 243 | E | 87 | Confident | 86.9 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.9 | -31.9 | 174.4 | -75 | 171.3 | -160.8 | 0 | 0 | 112.6 | Q239 F241 | Q239-E243 WeakPolarHBondContact CG-OE1 3.42Å; Q239-E243 PolarHBondContact NE2-OE1 2.65Å; Q239-E243 WeakPolarHBondContact O-CG 3.27Å; Q239-E243 PolarHBondContact O-N 3.39Å; F241-E243 VanDerWaalsContact C-N 3.29Å; F241-E243 PolarHBondContact O-N 3.31Å |
| 244 | K | 85.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -75.5 | -28.7 | 170.1 | -67.6 | -167.2 | -178.4 | -160.7 | 0 | 112.8 | E53 E240 F241 L242 | E53-K244 IonicContact OE1-NZ 3.86Å; E53-K244 PolarHBondContact OE1-NZ 3.11Å; E240-K244 PolarHBondContact O-N 3.31Å; F241-K244 PolarHBondContact O-N 3.15Å; F241-K244 VanDerWaalsContact O-N 3.14Å; L242-K244 VanDerWaalsContact C-N 3.33Å |
| 245 | Q | 80.4 | Confident | 86.9 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | trans | -142.1 | 87.7 | -176.3 | -169.2 | -179.9 | -20.5 | 0 | 0 | 112.6 | F241 L242 N247 A248 | F241-Q245 PolarHBondContact O-N 3.22Å; L242-Q245 CarbonylContact O-C 3.11Å; L242-Q245 PolarHBondContact O-N 2.95Å; Q245-N247 PolarHBondContact O-N 3.39Å; Q245-A248 HydrophobicContact CB-CB 4.05Å; Q245-A248 HydrophobicContact CG-CB 3.88Å; Q245-A248 VanDerWaalsContact O-CB 3.27Å; Q245-A248 WeakPolarHBondContact O-CB 3.41Å; Q245-A248 PolarHBondContact O-N 2.92Å | ||
| 246 | P | 72.6 | Confident | 86.8 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.5 | -171.5 | 24.1 | -34.6 | 0 | 0 | 0 | 115.5 | L242 | L242-P246 WeakPolarHBondContact O-CA 3.36Š|
| 247 | N | 74.6 | Confident | 86.8 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11.5 | 176.1 | -66.9 | 9.2 | 0 | 0 | 0 | 113.4 | Q245 L249 | Q245-N247 PolarHBondContact O-N 3.39Å; N247-L249 PolarHBondContact O-N 3.45Å |
| 248 | A | 82.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 34 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F241 L242 Q245 E303 | F241-A248 HydrophobicContact CD1-CB 4.42Å; F241-A248 HydrophobicContact CE1-CB 3.58Å; F241-A248 HydrophobicContact CZ-CB 3.92Å; L242-A248 HydrophobicContact CD2-CB 4.19Å; Q245-A248 HydrophobicContact CB-CB 4.05Å; Q245-A248 HydrophobicContact CG-CB 3.88Å; Q245-A248 VanDerWaalsContact O-CB 3.27Å; Q245-A248 WeakPolarHBondContact O-CB 3.41Å; Q245-A248 PolarHBondContact O-N 2.92Å; A248-E303 WeakPolarHBondContact O-CB 3.27Å; A248-E303 VanDerWaalsContact O-CG 3.32Å; A248-E303 WeakPolarHBondContact O-CG 3.44Å |
| 249 | L | 87.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 20.4 | -178.7 | -74.8 | 173.9 | 0 | 0 | 0 | 112.3 | F238 L242 N247 T252 K253 E303 T304 I480 | F238-L249 HydrophobicContact CE1-CD2 4.01Å; F238-L249 HydrophobicContact CZ-CD2 3.89Å; L242-L249 HydrophobicContact CD1-CD1 3.86Å; L242-L249 HydrophobicContact CD2-CD1 3.77Å; L242-L249 HydrophobicContact CD2-CD2 4.4Å; L242-L249 HydrophobicContact CD2-CG 3.73Å; L242-L249 HydrophobicContact CG-CD1 4.5Å; N247-L249 PolarHBondContact O-N 3.45Å; L249-T252 HydrophobicContact CD2-CG2 4.3Å; L249-T252 PolarHBondContact O-N 2.64Å; L249-K253 VanDerWaalsContact O-CG 3.23Å; L249-K253 WeakPolarHBondContact O-CG 3.46Å; L249-K253 PolarHBondContact O-N 2.97Å; L249-E303 VanDerWaalsContact C-OE1 3.27Å; L249-E303 VanDerWaalsContact CA-CD 3.49Å; L249-E303 WeakPolarHBondContact CA-OE1 3.38Å; L249-E303 WeakPolarHBondContact CA-OE2 3.44Å; L249-E303 PolarHBondContact N-OE1 2.66Å; L249-T304 HydrophobicContact CD2-CG2 3.89Å; L249-I480 HydrophobicContact CB-CD1 4.4Å; L249-I480 HydrophobicContact CD1-CD1 4.32Å |
| 250 | D | 88.9 | Confident | 86.6 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.3 | -34.1 | -173 | -70.8 | -13.4 | 0 | 0 | 0 | 112.2 | K253 K254 E303 | D250-K253 IonicContact OD1-NZ 2.66Å; D250-K253 PolarHBondContact OD1-NZ 3.41Å; D250-K254 PolarHBondContact O-N 2.61Å; D250-K254 VanDerWaalsContact O-N 3.09Å; D250-E303 PolarHBondContact N-OE1 3.43Å |
| 251 | Y | 88.8 | Confident | 86.6 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 49% | 0.49 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 170.9 | -59.4 | -65.1 | 0 | 0 | 0 | 111.6 | K254 W255 P300 E303 | Y251-K254 PolarHBondContact O-N 3.16Å; Y251-W255 VanDerWaalsContact O-CB 3.29Å; Y251-W255 WeakPolarHBondContact O-CB 3.45Å; Y251-W255 PolarHBondContact O-N 3.17Å; Y251-P300 HydrophobicContact CD1-CG 3.54Å; Y251-P300 HydrophobicContact CE1-CG 3.46Å; Y251-P300 VanDerWaalsContact CE1-CG 3.46Å; Y251-P300 HydrophobicContact CG-CG 4.19Å; Y251-E303 HydrophobicContact CD2-CG 4.4Å; Y251-E303 WeakPolarHBondContact CD2-OE1 3.49Å; Y251-E303 PolarHBondContact N-OE1 2.88Å; Y251-E303 PolarHBondContact N-OE2 3Å |
| 252 | T | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 112 | L249 W255 L256 E303 T304 Y477 I480 | L249-T252 HydrophobicContact CD2-CG2 4.3Å; L249-T252 PolarHBondContact O-N 2.64Å; T252-W255 HydrophobicContact CG2-CE3 4.38Å; T252-L256 HydrophobicContact CG2-CD1 4.37Å; T252-L256 WeakPolarHBondContact O-CG 3.32Å; T252-L256 PolarHBondContact O-N 3.23Å; T252-E303 VanDerWaalsContact CB-OE2 3.31Å; T252-E303 WeakPolarHBondContact CB-OE2 3.45Å; T252-E303 PolarHBondContact N-OE2 3.46Å; T252-E303 PolarHBondContact OG1-N 3.15Å; T252-E303 PolarHBondContact OG1-OE2 3.07Å; T252-T304 HydrophobicContact CG2-CG2 4.2Å; T252-Y477 HydrophobicContact CG2-CD1 3.95Å; T252-Y477 HydrophobicContact CG2-CE1 3.73Å; T252-I480 HydrophobicContact CG2-CD1 3.84Å |
| 253 | K | 90.9 | Very high | 86.5 | Confident | 64 Ų | 64 | 62 Ų | 62 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -57.3 | 170.4 | -69.6 | 162.3 | -154.9 | 167 | 0 | 110.8 | L249 D250 W255 L256 E257 I480 | L249-K253 VanDerWaalsContact O-CG 3.23Å; L249-K253 WeakPolarHBondContact O-CG 3.46Å; L249-K253 PolarHBondContact O-N 2.97Å; D250-K253 IonicContact OD1-NZ 2.66Å; D250-K253 PolarHBondContact OD1-NZ 3.41Å; K253-W255 VanDerWaalsContact C-N 3.29Å; K253-W255 PolarHBondContact O-N 3.13Å; K253-L256 PolarHBondContact O-N 3.42Å; K253-E257 WeakPolarHBondContact O-CB 3.44Å; K253-E257 WeakPolarHBondContact O-CG 3.34Å; K253-E257 PolarHBondContact O-N 3.31Å; K253-I480 HydrophobicContact CG-CD1 4.27Å; K253-I480 HydrophobicContact CG-CG1 4.3Å; K253-I480 HydrophobicContact CG-CG2 4.11Å |
| 254 | K | 90.4 | Very high | 86.3 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 32% | 0.317 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50 | -48.9 | 179.4 | -178.7 | -168.5 | 171.6 | -171.2 | 0 | 111.9 | D250 Y251 L256 E257 E258 D299 | D250-K254 PolarHBondContact O-N 2.61Å; D250-K254 VanDerWaalsContact O-N 3.09Å; Y251-K254 PolarHBondContact O-N 3.16Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 2.9Å; K254-E257 PolarHBondContact O-N 3.39Å; K254-E258 WeakPolarHBondContact CE-OE1 3.23Å; K254-E258 HydrophobicContact CG-CG 4.29Å; K254-E258 IonicContact NZ-OE1 3.76Å; K254-E258 WeakPolarHBondContact O-CB 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.33Å; K254-E258 PolarHBondContact O-N 3.44Å; K254-D299 IonicContact NZ-OD1 2.61Å; K254-D299 PolarHBondContact NZ-OD1 3.15Å |
| 255 | W | 92.2 | Very high | 86 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.4 | -44.1 | 179.3 | 173.4 | 49.5 | 0 | 0 | 0 | 113.3 | Y251 T252 K253 T259 A287 Y288 L291 W294 P302 Y477 | Y251-W255 VanDerWaalsContact O-CB 3.29Å; Y251-W255 WeakPolarHBondContact O-CB 3.45Å; Y251-W255 PolarHBondContact O-N 3.17Å; T252-W255 HydrophobicContact CG2-CE3 4.38Å; K253-W255 VanDerWaalsContact C-N 3.29Å; K253-W255 PolarHBondContact O-N 3.13Å; W255-T259 WeakPolarHBondContact O-CB 3.4Å; W255-T259 PolarHBondContact O-N 3.15Å; W255-T259 PolarHBondContact O-OG1 3.44Å; W255-A287 HydrophobicContact CD2-CB 4.24Å; W255-A287 HydrophobicContact CH2-CB 4.22Å; W255-A287 VanDerWaalsContact CZ2-C 3.48Å; W255-A287 HydrophobicContact CZ2-CB 3.54Å; W255-A287 PolarHBondContact NE1-O 2.91Å; W255-Y288 HydrophobicContact CH2-CD1 4.1Å; W255-Y288 HydrophobicContact CH2-CD2 4.4Å; W255-Y288 AromaticContact CH2-CE1 3.81Å; W255-Y288 HydrophobicContact CH2-CE1 3.81Å; W255-Y288 HydrophobicContact CH2-CE2 4.09Å; W255-Y288 HydrophobicContact CH2-CG 4.39Å; W255-Y288 AromaticContact CH2-CZ 3.79Å; W255-Y288 HydrophobicContact CZ2-CD1 4.11Å; W255-Y288 HydrophobicContact CZ2-CE1 4.27Å; W255-Y288 HydrophobicContact CZ2-CG 4.26Å; W255-L291 HydrophobicContact CZ2-CD1 3.89Å; W255-L291 HydrophobicContact CZ2-CD2 4.06Å; W255-L291 HydrophobicContact CZ2-CG 3.94Å; W255-W294 HydrophobicContact CB-CH2 3.77Å; W255-W294 HydrophobicContact CB-CZ3 4.27Å; W255-W294 AromaticContact CD1-CH2 3.41Å; W255-W294 VanDerWaalsContact CD1-CH2 3.41Å; W255-W294 AromaticContact CD1-CZ3 3.37Å; W255-W294 AromaticContact CG-CH2 3.88Å; W255-W294 HydrophobicContact CG-CH2 3.88Å; W255-W294 AromaticContact CG-CZ3 3.98Å; W255-W294 HydrophobicContact CG-CZ3 3.98Å; W255-P302 HydrophobicContact CB-CG 3.99Å; W255-P302 HydrophobicContact CD2-CB 4.33Å; W255-P302 HydrophobicContact CD2-CG 3.47Å; W255-P302 VanDerWaalsContact CD2-CG 3.47Å; W255-P302 HydrophobicContact CE3-CB 3.9Å; W255-P302 HydrophobicContact CE3-CG 3.54Å; W255-P302 HydrophobicContact CG-CG 3.71Å; W255-P302 HydrophobicContact CZ3-CB 4.33Å; W255-P302 HydrophobicContact CZ3-CG 4.13Å; W255-Y477 AromaticContact CZ3-CE1 3.89Å; W255-Y477 HydrophobicContact CZ3-CE1 3.89Å |
| 256 | L | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.9 | -40.8 | 179.5 | -67.5 | 172.9 | 0 | 0 | 0 | 111.8 | T252 K253 K254 T259 V260 A287 Y477 I480 L481 I484 | T252-L256 HydrophobicContact CG2-CD1 4.37Å; T252-L256 WeakPolarHBondContact O-CG 3.32Å; T252-L256 PolarHBondContact O-N 3.23Å; K253-L256 PolarHBondContact O-N 3.42Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 2.9Å; L256-T259 PolarHBondContact O-N 3.49Å; L256-V260 WeakPolarHBondContact O-CG2 3.26Å; L256-V260 PolarHBondContact O-N 2.95Å; L256-A287 HydrophobicContact CD2-CB 4.04Å; L256-Y477 HydrophobicContact CD1-CD1 4.06Å; L256-I480 HydrophobicContact CB-CG2 4.46Å; L256-I480 HydrophobicContact CD1-CB 4.26Å; L256-I480 HydrophobicContact CD1-CG2 3.76Å; L256-L481 HydrophobicContact CB-CD2 4.12Å; L256-L481 HydrophobicContact CD1-CD2 4.38Å; L256-L481 HydrophobicContact CD1-CG 4.33Å; L256-L481 HydrophobicContact CD2-CD2 4.38Å; L256-I484 HydrophobicContact CB-CD1 4.03Å |
| 257 | E | 90 | Very high | 85.1 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 175.7 | -73.7 | 170 | -167 | 0 | 0 | 112 | K253 K254 T259 V260 K261 I484 | K253-E257 WeakPolarHBondContact O-CB 3.44Å; K253-E257 WeakPolarHBondContact O-CG 3.34Å; K253-E257 PolarHBondContact O-N 3.31Å; K254-E257 PolarHBondContact O-N 3.39Å; E257-T259 VanDerWaalsContact C-N 3.25Å; E257-T259 PolarHBondContact O-N 3.16Å; E257-V260 PolarHBondContact O-N 3.26Å; E257-K261 PolarHBondContact O-N 2.95Å; E257-I484 HydrophobicContact CG-CD1 3.54Å; E257-I484 HydrophobicContact CG-CG1 3.74Å; E257-I484 HydrophobicContact CG-CG2 4.38Å |
| 258 | E | 88.8 | Confident | 84.3 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -26 | 178.7 | -65.4 | -176.3 | 170.8 | 0 | 0 | 112.5 | K254 S262 R290 | K254-E258 WeakPolarHBondContact CE-OE1 3.23Å; K254-E258 HydrophobicContact CG-CG 4.29Å; K254-E258 IonicContact NZ-OE1 3.76Å; K254-E258 WeakPolarHBondContact O-CB 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.33Å; K254-E258 PolarHBondContact O-N 3.44Å; E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.02Å; E258-R290 VanDerWaalsContact C-NH1 3.32Å; E258-R290 VanDerWaalsContact CB-NH1 3.26Å; E258-R290 PolarHBondContact O-NH1 2.93Å; E258-R290 VanDerWaalsContact O-NH1 3.14Å; E258-R290 IonicContact OE2-CZ 3.41Å; E258-R290 IonicContact OE2-NH1 3.83Å; E258-R290 IonicContact OE2-NH2 2.68Å; E258-R290 PolarHBondContact OE2-NH2 3.28Å |
| 259 | T | 88.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.1 | -44.3 | 172.8 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | W255 L256 E257 K261 S262 L263 V283 H286 A287 | W255-T259 WeakPolarHBondContact O-CB 3.4Å; W255-T259 PolarHBondContact O-N 3.15Å; W255-T259 PolarHBondContact O-OG1 3.44Å; L256-T259 PolarHBondContact O-N 3.49Å; E257-T259 VanDerWaalsContact C-N 3.25Å; E257-T259 PolarHBondContact O-N 3.16Å; T259-K261 VanDerWaalsContact C-N 3.3Å; T259-K261 PolarHBondContact O-N 2.93Å; T259-S262 PolarHBondContact O-N 2.94Å; T259-L263 HydrophobicContact CG2-CD1 4.25Å; T259-L263 WeakPolarHBondContact O-CG 3.22Å; T259-L263 PolarHBondContact O-N 2.82Å; T259-V283 HydrophobicContact CG2-CG1 4.19Å; T259-H286 HydrophobicContact CG2-CB 3.94Å; T259-A287 HydrophobicContact CG2-CB 3.96Å |
| 260 | V | 87.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 173 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | L256 E257 L263 R264 L278 V283 L481 I484 L485 | L256-V260 WeakPolarHBondContact O-CG2 3.26Å; L256-V260 PolarHBondContact O-N 2.95Å; E257-V260 PolarHBondContact O-N 3.26Å; V260-L263 PolarHBondContact O-N 3.08Å; V260-R264 WeakPolarHBondContact O-CG 3.35Å; V260-R264 PolarHBondContact O-N 3.33Å; V260-R264 VanDerWaalsContact O-N 3.12Å; V260-L278 HydrophobicContact CG1-CD1 3.93Å; V260-V283 HydrophobicContact CG2-CG1 3.64Å; V260-V283 HydrophobicContact CG2-CG2 4.24Å; V260-L481 HydrophobicContact CG2-CD2 4.27Å; V260-I484 HydrophobicContact CB-CG2 4.3Å; V260-I484 HydrophobicContact CG1-CG2 4.23Å; V260-I484 HydrophobicContact CG2-CG2 4.13Å; V260-L485 HydrophobicContact CG1-CD2 4.21Å; V260-L485 HydrophobicContact CG2-CD2 4.41Å |
| 261 | K | 87.2 | Confident | 79.3 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -52.5 | 175.7 | 179 | 177.8 | 169.1 | -179 | 0 | 112 | E257 T259 L263 R264 E265 | E257-K261 PolarHBondContact O-N 2.95Å; T259-K261 VanDerWaalsContact C-N 3.3Å; T259-K261 PolarHBondContact O-N 2.93Å; K261-L263 VanDerWaalsContact C-N 3.27Å; K261-L263 PolarHBondContact O-N 3.29Å; K261-R264 PolarHBondContact O-N 2.87Å; K261-E265 WeakPolarHBondContact CE-OE1 3.24Å; K261-E265 HydrophobicContact CG-CG 4.48Å; K261-E265 IonicContact NZ-OE1 2.84Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.03Å |
| 262 | S | 85.8 | Confident | 77.3 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -32.9 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 113.1 | E258 T259 T266 | E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.02Å; T259-S262 PolarHBondContact O-N 2.94Å; S262-T266 WeakPolarHBondContact O-CB 3.48Å; S262-T266 PolarHBondContact O-N 2.94Å; S262-T266 VanDerWaalsContact O-N 3.11Å; S262-T266 PolarHBondContact O-OG1 2.8Å |
| 263 | L | 84.6 | Confident | 75.2 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -50.1 | 172.5 | -78 | 169.6 | 0 | 0 | 0 | 111.9 | T259 V260 K261 E265 T266 E267 L278 V283 H286 | T259-L263 HydrophobicContact CG2-CD1 4.25Å; T259-L263 WeakPolarHBondContact O-CG 3.22Å; T259-L263 PolarHBondContact O-N 2.82Å; V260-L263 PolarHBondContact O-N 3.08Å; K261-L263 VanDerWaalsContact C-N 3.27Å; K261-L263 PolarHBondContact O-N 3.29Å; L263-E265 VanDerWaalsContact C-N 3.32Å; L263-E265 PolarHBondContact O-N 2.89Å; L263-T266 WeakPolarHBondContact O-CB 3.36Å; L263-T266 PolarHBondContact O-N 3.38Å; L263-T266 VanDerWaalsContact O-N 3.08Å; L263-E267 WeakPolarHBondContact O-CG 3.35Å; L263-E267 PolarHBondContact O-N 3.28Å; L263-L278 HydrophobicContact CB-CD1 4.44Å; L263-L278 HydrophobicContact CB-CD2 4.08Å; L263-L278 HydrophobicContact CD1-CD2 4.36Å; L263-V283 HydrophobicContact CD1-CB 4.39Å; L263-V283 HydrophobicContact CD1-CG2 4.06Å; L263-H286 HydrophobicContact CD1-CB 4.24Å; L263-H286 HydrophobicContact CD2-CB 4.37Å |
| 264 | R | 82 | Confident | 73.4 | Confident | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.1 | -67.2 | -173.8 | -165.5 | -131.1 | 9.1 | 112.4 | V260 K261 T266 E267 S268 D275 L278 | V260-R264 WeakPolarHBondContact O-CG 3.35Å; V260-R264 PolarHBondContact O-N 3.33Å; V260-R264 VanDerWaalsContact O-N 3.12Å; K261-R264 PolarHBondContact O-N 2.87Å; R264-T266 VanDerWaalsContact C-N 3.3Å; R264-T266 PolarHBondContact O-N 3.18Å; R264-E267 PolarHBondContact O-N 2.88Å; R264-S268 WeakPolarHBondContact O-CB 3.47Å; R264-S268 PolarHBondContact O-N 2.83Å; R264-D275 IonicContact CZ-OD2 3.68Å; R264-D275 IonicContact NE-OD2 3.95Å; R264-D275 IonicContact NH1-OD2 2.69Å; R264-D275 PolarHBondContact NH1-OD2 2.79Å; R264-L278 HydrophobicContact CG-CD1 3.95Å |
| 265 | E | 80.8 | Confident | 71.5 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 175 | -72.1 | 171 | 164 | 0 | 0 | 111.7 | K261 L263 C269 | K261-E265 WeakPolarHBondContact CE-OE1 3.24Å; K261-E265 HydrophobicContact CG-CG 4.48Å; K261-E265 IonicContact NZ-OE1 2.84Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.03Å; L263-E265 VanDerWaalsContact C-N 3.32Å; L263-E265 PolarHBondContact O-N 2.89Å; E265-C269 PolarHBondContact O-N 3.17Å |
| 266 | T | 71 | Confident | 69.7 | Low | 92 Ų | 92 | 73.5 Ų | 73.5 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -71.5 | -43.9 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | S262 L263 R264 C269 A270 | S262-T266 WeakPolarHBondContact O-CB 3.48Å; S262-T266 PolarHBondContact O-N 2.94Å; S262-T266 VanDerWaalsContact O-N 3.11Å; S262-T266 PolarHBondContact O-OG1 2.8Å; L263-T266 WeakPolarHBondContact O-CB 3.36Å; L263-T266 PolarHBondContact O-N 3.38Å; L263-T266 VanDerWaalsContact O-N 3.08Å; R264-T266 VanDerWaalsContact C-N 3.3Å; R264-T266 PolarHBondContact O-N 3.18Å; T266-C269 PolarHBondContact O-N 3.38Å; T266-A270 PolarHBondContact O-N 2.8Å |
| 267 | E | 63.3 | Low | 68.4 | Low | 51 Ų | 51 | 79.7 Ų | 79.7 | 24% | 0.238 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.6 | -34.2 | -179.9 | -69.4 | 176.3 | 167.9 | 0 | 0 | 112.1 | L263 R264 C269 A270 S271 P276 L278 | L263-E267 WeakPolarHBondContact O-CG 3.35Å; L263-E267 PolarHBondContact O-N 3.28Å; R264-E267 PolarHBondContact O-N 2.88Å; E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.06Å; E267-A270 CarbonylContact O-C 3.6Å; E267-A270 WeakPolarHBondContact O-CA 3.49Å; E267-A270 PolarHBondContact O-N 2.83Å; E267-S271 PolarHBondContact O-N 3.02Å; E267-S271 PolarHBondContact O-OG 2.84Å; E267-P276 WeakPolarHBondContact OE2-CG 3.47Å; E267-L278 WeakPolarHBondContact OE2-CD2 3.35Å |
| 268 | S | 57.8 | Low | 67.5 | Low | 86 Ų | 86 | 75.8 Ų | 75.8 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.6 | -34.1 | 173.7 | -175 | 0 | 0 | 0 | 0 | 112.6 | R264 A270 | R264-S268 WeakPolarHBondContact O-CB 3.47Å; R264-S268 PolarHBondContact O-N 2.83Å; S268-A270 VanDerWaalsContact C-N 3.26Å; S268-A270 PolarHBondContact O-N 2.69Å |
| 269 | C | 51.8 | Low | 67 | Low | 121 Ų | 121 | 78.6 Ų | 78.6 | 82% | 0.818 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.5 | 170.7 | -71.4 | 0 | 0 | 0 | 0 | 113.9 | E265 T266 E267 | E265-C269 PolarHBondContact O-N 3.17Å; T266-C269 PolarHBondContact O-N 3.38Å; E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.06Å |
| 270 | A | 53.5 | Low | 66.6 | Low | 88 Ų | 88 | 81 Ų | 81 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -26.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | T266 E267 S268 | T266-A270 PolarHBondContact O-N 2.8Å; E267-A270 CarbonylContact O-C 3.6Å; E267-A270 WeakPolarHBondContact O-CA 3.49Å; E267-A270 PolarHBondContact O-N 2.83Å; S268-A270 VanDerWaalsContact C-N 3.26Å; S268-A270 PolarHBondContact O-N 2.69Å |
| 271 | S | 47.7 | Very low | 66.2 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | trans | -141.4 | 125.1 | -177.7 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | E267 S273 | E267-S271 PolarHBondContact O-N 3.02Å; E267-S271 PolarHBondContact O-OG 2.84Å; S271-S273 VanDerWaalsContact C-N 3.27Å; S271-S273 PolarHBondContact O-N 3.28Å | ||
| 272 | A | 46.6 | Very low | 66 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 94% | 0.942 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -85.7 | 26.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 273 | S | 47.8 | Very low | 66.1 | Low | 89 Ų | 89 | 78 Ų | 78 | 62% | 0.622 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -157 | 119.6 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | S271 | S271-S273 VanDerWaalsContact C-N 3.27Å; S271-S273 PolarHBondContact O-N 3.28Å |
| 274 | S | 52.6 | Low | 66.2 | Low | 115 Ų | 115 | 77.8 Ų | 77.8 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | trans | 52.2 | 110.1 | 164.9 | -55.9 | 0 | 0 | 0 | 0 | 117.4 | P276 | S274-P276 WeakPolarHBondContact O-CD 3.43Å; S274-P276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | D | 51.3 | Low | 66.6 | Low | 108 Ų | 108 | 73.7 Ų | 73.7 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | trans | -37.7 | 112.9 | 170.5 | -74.7 | 33.8 | 0 | 0 | 0 | 112.6 | R264 | R264-D275 IonicContact CZ-OD2 3.68Å; R264-D275 IonicContact NE-OD2 3.95Å; R264-D275 IonicContact NH1-OD2 2.69Å; R264-D275 PolarHBondContact NH1-OD2 2.79Å | ||
| 276 | P | 54.1 | Low | 67 | Low | 60 Ų | 60 | 71.7 Ų | 71.7 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -70.5 | 154 | 175.9 | 29.9 | -34.4 | 0 | 0 | 0 | 110.7 | E267 S274 L278 | E267-P276 WeakPolarHBondContact OE2-CG 3.47Å; S274-P276 WeakPolarHBondContact O-CD 3.43Å; S274-P276 VanDerWaalsContact O-N 3.1Å; P276-L278 PolarHBondContact O-N 2.76Å | ||
| 277 | P | 63.3 | Low | 67.9 | Low | 130 Ų | 130 | 67.3 Ų | 67.3 | 84% | 0.844 | 43% | 0.428 | S | S | * | . | trans | -69.1 | 100.4 | 179.4 | 27.6 | -34 | 0 | 0 | 0 | 110.9 | H279 | P277-H279 PolarHBondContact O-N 2.68Š| ||
| 278 | L | 71.7 | Confident | 69.4 | Low | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | trans | -56.3 | 105.9 | 176.6 | -73.4 | 175.3 | 0 | 0 | 0 | 111.3 | V260 L263 R264 E267 P276 V283 L485 | V260-L278 HydrophobicContact CG1-CD1 3.93Å; L263-L278 HydrophobicContact CB-CD1 4.44Å; L263-L278 HydrophobicContact CB-CD2 4.08Å; L263-L278 HydrophobicContact CD1-CD2 4.36Å; R264-L278 HydrophobicContact CG-CD1 3.95Å; E267-L278 WeakPolarHBondContact OE2-CD2 3.35Å; P276-L278 PolarHBondContact O-N 2.76Å; L278-V283 HydrophobicContact CB-CG2 4.13Å; L278-L485 HydrophobicContact CB-CD2 4.44Å | ||
| 279 | H | 77.8 | Confident | 71 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 55% | 0.546 | 39% | 0.39 | S | S | . | . | trans | -66.3 | 128.1 | 179.6 | -171.2 | -105.3 | 0 | 0 | 0 | 110.7 | P277 L281 N282 V283 | P277-H279 PolarHBondContact O-N 2.68Å; H279-L281 VanDerWaalsContact C-N 3.29Å; H279-L281 PolarHBondContact O-N 2.93Å; H279-L281 VanDerWaalsContact O-N 3.1Å; H279-N282 HydrophobicContact CB-CB 4.47Å; H279-N282 WeakPolarHBondContact O-CA 3.38Å; H279-N282 VanDerWaalsContact O-CB 3.3Å; H279-N282 WeakPolarHBondContact O-CB 3.45Å; H279-N282 PolarHBondContact O-N 3.15Å; H279-V283 PolarHBondContact O-N 3.32Å | ||
| 280 | P | 79.8 | Confident | 72.8 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.8 | -38.5 | -172.8 | -31.8 | 36.9 | 0 | 0 | 0 | 114.7 | N282 V283 H284 L481 | P280-N282 VanDerWaalsContact C-N 3.28Å; P280-N282 PolarHBondContact O-N 2.95Å; P280-V283 PolarHBondContact O-N 3.08Å; P280-H284 PolarHBondContact O-N 3.29Å; P280-H284 PolarHBondContact O-ND1 3.49Å; P280-L481 HydrophobicContact CB-CD1 4.05Å |
| 281 | L | 79.9 | Confident | 74.6 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 40% | 0.403 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -31.1 | 177.3 | -61.4 | -177.6 | 0 | 0 | 0 | 113.1 | H279 H284 N285 | H279-L281 VanDerWaalsContact C-N 3.29Å; H279-L281 PolarHBondContact O-N 2.93Å; H279-L281 VanDerWaalsContact O-N 3.1Å; L281-H284 PolarHBondContact O-N 2.95Å; L281-N285 PolarHBondContact O-N 3Å |
| 282 | N | 84.1 | Confident | 76.7 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 177 | -171.4 | 27.1 | 0 | 0 | 0 | 110.8 | H279 P280 N285 H286 | H279-N282 HydrophobicContact CB-CB 4.47Å; H279-N282 WeakPolarHBondContact O-CA 3.38Å; H279-N282 VanDerWaalsContact O-CB 3.3Å; H279-N282 WeakPolarHBondContact O-CB 3.45Å; H279-N282 PolarHBondContact O-N 3.15Å; P280-N282 VanDerWaalsContact C-N 3.28Å; P280-N282 PolarHBondContact O-N 2.95Å; N282-N285 PolarHBondContact O-N 3.45Å; N282-H286 PolarHBondContact O-N 3.41Å; N282-H286 VanDerWaalsContact O-N 3.11Å; N282-H286 PolarHBondContact O-ND1 2.87Å; N282-H286 PolarHBondContact OD1-CE1 2.83Å; N282-H286 PolarHBondContact OD1-ND1 3.08Å |
| 283 | V | 86 | Confident | 78.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | T259 V260 L263 L278 H279 P280 N285 H286 A287 L481 | T259-V283 HydrophobicContact CG2-CG1 4.19Å; V260-V283 HydrophobicContact CG2-CG1 3.64Å; V260-V283 HydrophobicContact CG2-CG2 4.24Å; L263-V283 HydrophobicContact CD1-CB 4.39Å; L263-V283 HydrophobicContact CD1-CG2 4.06Å; L278-V283 HydrophobicContact CB-CG2 4.13Å; H279-V283 PolarHBondContact O-N 3.32Å; P280-V283 PolarHBondContact O-N 3.08Å; V283-N285 PolarHBondContact O-N 3.34Å; V283-H286 PolarHBondContact O-N 2.93Å; V283-A287 VanDerWaalsContact O-CB 3.31Å; V283-A287 WeakPolarHBondContact O-CB 3.38Å; V283-A287 PolarHBondContact O-N 3.04Å; V283-L481 HydrophobicContact CB-CD2 4.49Å; V283-L481 HydrophobicContact CG1-CD2 3.86Å |
| 284 | H | 86.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 175.7 | -74.2 | 82.7 | 0 | 0 | 0 | 112.2 | P280 L281 H286 A287 Y288 Y477 L481 | P280-H284 PolarHBondContact O-N 3.29Å; P280-H284 PolarHBondContact O-ND1 3.49Å; L281-H284 PolarHBondContact O-N 2.95Å; H284-H286 VanDerWaalsContact C-N 3.34Å; H284-H286 PolarHBondContact O-N 3.47Å; H284-A287 WeakPolarHBondContact O-CB 3.43Å; H284-A287 PolarHBondContact O-N 3.36Å; H284-A287 VanDerWaalsContact O-N 3.14Å; H284-Y288 WeakPolarHBondContact O-CD2 3.4Å; H284-Y288 PolarHBondContact O-N 3.21Å; H284-Y477 AromaticContact CD2-CD2 3.7Å; H284-Y477 WeakPolarHBondContact NE2-CB 3.03Å; H284-Y477 AromaticContact NE2-CD2 3.41Å; H284-Y477 WeakPolarHBondContact NE2-CD2 3.29Å; H284-Y477 AromaticContact NE2-CG 3.56Å; H284-L481 VanDerWaalsContact CE1-CD1 3.41Å; H284-L481 WeakPolarHBondContact CE1-CD1 3.4Å |
| 285 | N | 90.3 | Very high | 81.8 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | -178 | -75.1 | -4.9 | 0 | 0 | 0 | 111.7 | L281 N282 V283 A287 Y288 I289 M430 L433 E434 K470 | L281-N285 PolarHBondContact O-N 3Å; N282-N285 PolarHBondContact O-N 3.45Å; V283-N285 PolarHBondContact O-N 3.34Å; N285-A287 VanDerWaalsContact C-N 3.35Å; N285-A287 PolarHBondContact O-N 3.38Å; N285-Y288 PolarHBondContact O-N 3.37Å; N285-I289 PolarHBondContact O-N 3.26Å; N285-I289 VanDerWaalsContact O-N 3.13Å; N285-M430 HydrophobicContact CB-CE 3.72Å; N285-M430 HydrophobicContact CB-SD 3.92Å; N285-L433 HydrophobicContact CB-CD1 3.94Å; N285-E434 WeakPolarHBondContact ND2-CG 3.21Å; N285-K470 PolarHBondContact OD1-NZ 2.96Å |
| 286 | H | 89.7 | Confident | 83.5 | Confident | 62 Ų | 62 | 44.6 Ų | 44.6 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 175.5 | -75.5 | 92.3 | 0 | 0 | 0 | 112.7 | T259 L263 N282 V283 H284 Y288 I289 R290 M430 | T259-H286 HydrophobicContact CG2-CB 3.94Å; L263-H286 HydrophobicContact CD1-CB 4.24Å; L263-H286 HydrophobicContact CD2-CB 4.37Å; N282-H286 PolarHBondContact O-N 3.41Å; N282-H286 VanDerWaalsContact O-N 3.11Å; N282-H286 PolarHBondContact O-ND1 2.87Å; N282-H286 PolarHBondContact OD1-CE1 2.83Å; N282-H286 PolarHBondContact OD1-ND1 3.08Å; V283-H286 PolarHBondContact O-N 2.93Å; H284-H286 VanDerWaalsContact C-N 3.34Å; H284-H286 PolarHBondContact O-N 3.47Å; H286-Y288 PolarHBondContact O-N 3.04Å; H286-I289 PolarHBondContact O-N 2.65Å; H286-R290 WeakPolarHBondContact O-CB 3.43Å; H286-R290 PolarHBondContact O-N 2.63Å; H286-M430 WeakPolarHBondContact CE1-CE 3.22Å |
| 287 | A | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W255 L256 T259 V283 H284 N285 R290 L291 | W255-A287 HydrophobicContact CD2-CB 4.24Å; W255-A287 HydrophobicContact CH2-CB 4.22Å; W255-A287 VanDerWaalsContact CZ2-C 3.48Å; W255-A287 HydrophobicContact CZ2-CB 3.54Å; W255-A287 PolarHBondContact NE1-O 2.91Å; L256-A287 HydrophobicContact CD2-CB 4.04Å; T259-A287 HydrophobicContact CG2-CB 3.96Å; V283-A287 VanDerWaalsContact O-CB 3.31Å; V283-A287 WeakPolarHBondContact O-CB 3.38Å; V283-A287 PolarHBondContact O-N 3.04Å; H284-A287 WeakPolarHBondContact O-CB 3.43Å; H284-A287 PolarHBondContact O-N 3.36Å; H284-A287 VanDerWaalsContact O-N 3.14Å; N285-A287 VanDerWaalsContact C-N 3.35Å; N285-A287 PolarHBondContact O-N 3.38Å; A287-R290 WeakPolarHBondContact O-CB 3.31Å; A287-R290 PolarHBondContact O-N 3.2Å; A287-L291 PolarHBondContact O-N 2.91Å |
| 288 | Y | 93 | Very high | 85.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 176.2 | -76 | -73 | 0 | 0 | 0 | 113.3 | W255 H284 N285 H286 R290 L291 V305 F312 V466 N469 K470 Y477 | W255-Y288 HydrophobicContact CH2-CD1 4.1Å; W255-Y288 HydrophobicContact CH2-CD2 4.4Å; W255-Y288 AromaticContact CH2-CE1 3.81Å; W255-Y288 HydrophobicContact CH2-CE1 3.81Å; W255-Y288 HydrophobicContact CH2-CE2 4.09Å; W255-Y288 HydrophobicContact CH2-CG 4.39Å; W255-Y288 AromaticContact CH2-CZ 3.79Å; W255-Y288 HydrophobicContact CZ2-CD1 4.11Å; W255-Y288 HydrophobicContact CZ2-CE1 4.27Å; W255-Y288 HydrophobicContact CZ2-CG 4.26Å; H284-Y288 WeakPolarHBondContact O-CD2 3.4Å; H284-Y288 PolarHBondContact O-N 3.21Å; N285-Y288 PolarHBondContact O-N 3.37Å; H286-Y288 PolarHBondContact O-N 3.04Å; Y288-R290 VanDerWaalsContact C-N 3.29Å; Y288-R290 PolarHBondContact O-N 3.36Å; Y288-L291 HydrophobicContact CD1-CD1 3.91Å; Y288-L291 HydrophobicContact CE1-CD1 4.46Å; Y288-L291 WeakPolarHBondContact O-CB 3.31Å; Y288-L291 PolarHBondContact O-N 3.22Å; Y288-V305 HydrophobicContact CE1-CG2 4.45Å; Y288-F312 HydrophobicContact CD1-CE1 4.3Å; Y288-F312 HydrophobicContact CD1-CZ 4.06Å; Y288-F312 HydrophobicContact CE1-CZ 4.38Å; Y288-V466 HydrophobicContact CD1-CB 4.4Å; Y288-V466 HydrophobicContact CD1-CG1 4.18Å; Y288-V466 HydrophobicContact CD1-CG2 3.68Å; Y288-V466 HydrophobicContact CD2-CB 4.49Å; Y288-V466 HydrophobicContact CD2-CG1 3.46Å; Y288-V466 VanDerWaalsContact CD2-CG1 3.46Å; Y288-V466 HydrophobicContact CD2-CG2 4.39Å; Y288-V466 HydrophobicContact CE1-CG1 4.46Å; Y288-V466 HydrophobicContact CE1-CG2 4.31Å; Y288-V466 HydrophobicContact CE2-CG1 3.84Å; Y288-V466 HydrophobicContact CG-CB 4.29Å; Y288-V466 HydrophobicContact CG-CG1 3.67Å; Y288-V466 HydrophobicContact CG-CG2 3.72Å; Y288-N469 PolarHBondContact OH-OD1 2.99Å; Y288-K470 HydrophobicContact CE2-CG 4.09Å; Y288-Y477 WeakPolarHBondContact OH-CE2 3.27Å; Y288-Y477 PolarHBondContact OH-OH 3.12Å; Y288-Y477 VanDerWaalsContact OH-OH 3.08Å |
| 289 | I | 92.3 | Very high | 86.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -33.2 | 174.6 | -73.4 | -70.9 | 0 | 0 | 0 | 111.4 | N285 H286 L291 L292 Q426 L429 M430 L433 F462 | N285-I289 PolarHBondContact O-N 3.26Å; N285-I289 VanDerWaalsContact O-N 3.13Å; H286-I289 PolarHBondContact O-N 2.65Å; I289-L291 VanDerWaalsContact C-N 3.31Å; I289-L291 PolarHBondContact O-N 2.9Å; I289-L292 HydrophobicContact CD1-CD1 4.47Å; I289-L292 PolarHBondContact O-N 2.94Å; I289-Q426 HydrophobicContact CG2-CB 4.32Å; I289-L429 HydrophobicContact CD1-CB 3.42Å; I289-L429 VanDerWaalsContact CD1-CB 3.42Å; I289-L429 HydrophobicContact CD1-CD1 4.35Å; I289-M430 HydrophobicContact CB-SD 4.2Å; I289-M430 HydrophobicContact CG1-CG 3.91Å; I289-M430 HydrophobicContact CG1-SD 3.64Å; I289-L433 HydrophobicContact CG1-CD1 4.41Å; I289-F462 HydrophobicContact CD1-CD1 4.48Å; I289-F462 HydrophobicContact CD1-CE1 3.46Å; I289-F462 VanDerWaalsContact CD1-CE1 3.46Å; I289-F462 HydrophobicContact CD1-CZ 3.6Å; I289-F462 HydrophobicContact CG1-CE1 4.11Å; I289-F462 HydrophobicContact CG1-CZ 4.04Å |
| 290 | R | 90.2 | Very high | 86.9 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -33.7 | 172.3 | -177.9 | 174.2 | 171.8 | 172 | -6.3 | 112.7 | E258 H286 A287 Y288 L292 R293 W294 | E258-R290 VanDerWaalsContact C-NH1 3.32Å; E258-R290 VanDerWaalsContact CB-NH1 3.26Å; E258-R290 PolarHBondContact O-NH1 2.93Å; E258-R290 VanDerWaalsContact O-NH1 3.14Å; E258-R290 IonicContact OE2-CZ 3.41Å; E258-R290 IonicContact OE2-NH1 3.83Å; E258-R290 IonicContact OE2-NH2 2.68Å; E258-R290 PolarHBondContact OE2-NH2 3.28Å; H286-R290 WeakPolarHBondContact O-CB 3.43Å; H286-R290 PolarHBondContact O-N 2.63Å; A287-R290 WeakPolarHBondContact O-CB 3.31Å; A287-R290 PolarHBondContact O-N 3.2Å; Y288-R290 VanDerWaalsContact C-N 3.29Å; Y288-R290 PolarHBondContact O-N 3.36Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.49Å; R290-R293 CarbonylContact O-C 3.58Å; R290-R293 PolarHBondContact O-N 2.89Å; R290-W294 PolarHBondContact O-N 3.41Å |
| 291 | L | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -43.4 | 173.2 | -58.7 | -177.2 | 0 | 0 | 0 | 111.3 | W255 A287 Y288 I289 R293 W294 H296 P302 V305 F312 Q316 | W255-L291 HydrophobicContact CZ2-CD1 3.89Å; W255-L291 HydrophobicContact CZ2-CD2 4.06Å; W255-L291 HydrophobicContact CZ2-CG 3.94Å; A287-L291 PolarHBondContact O-N 2.91Å; Y288-L291 HydrophobicContact CD1-CD1 3.91Å; Y288-L291 HydrophobicContact CE1-CD1 4.46Å; Y288-L291 WeakPolarHBondContact O-CB 3.31Å; Y288-L291 PolarHBondContact O-N 3.22Å; I289-L291 VanDerWaalsContact C-N 3.31Å; I289-L291 PolarHBondContact O-N 2.9Å; L291-R293 PolarHBondContact O-N 3.19Å; L291-R293 VanDerWaalsContact O-N 3.08Å; L291-W294 HydrophobicContact CD2-CE3 3.49Å; L291-W294 VanDerWaalsContact CD2-CE3 3.49Å; L291-W294 HydrophobicContact CD2-CZ3 3.54Å; L291-W294 PolarHBondContact O-N 3.18Å; L291-H296 PolarHBondContact O-CE1 3.41Å; L291-H296 PolarHBondContact O-NE2 2.69Å; L291-H296 VanDerWaalsContact O-NE2 3.13Å; L291-P302 HydrophobicContact CD2-CG 4.23Å; L291-V305 HydrophobicContact CD1-CG1 4.16Å; L291-V305 HydrophobicContact CD1-CG2 4.45Å; L291-F312 HydrophobicContact CB-CD1 4.11Å; L291-F312 HydrophobicContact CB-CE1 4.43Å; L291-F312 HydrophobicContact CD1-CD1 4.02Å; L291-F312 HydrophobicContact CD1-CE1 3.77Å; L291-F312 HydrophobicContact CD1-CZ 4.07Å; L291-Q316 PolarHBondContact O-NE2 2.77Å |
| 292 | L | 90.3 | Very high | 88 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.1 | 178 | -60.5 | -177.4 | 0 | 0 | 0 | 114.2 | I289 R290 F312 M315 Q316 L429 F462 | I289-L292 HydrophobicContact CD1-CD1 4.47Å; I289-L292 PolarHBondContact O-N 2.94Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.49Å; L292-F312 HydrophobicContact CD2-CD1 4.18Å; L292-M315 HydrophobicContact CD2-CB 3.81Å; L292-Q316 WeakPolarHBondContact O-CG 3.32Å; L292-Q316 PolarHBondContact O-NE2 2.92Å; L292-L429 HydrophobicContact CD1-CD1 3.83Å; L292-F462 HydrophobicContact CD1-CD2 3.79Å; L292-F462 HydrophobicContact CD1-CE2 3.54Å; L292-F462 HydrophobicContact CD1-CG 4.4Å; L292-F462 HydrophobicContact CD1-CZ 3.97Å; L292-F462 HydrophobicContact CD2-CD2 4.24Å; L292-F462 HydrophobicContact CD2-CE2 4.11Å; L292-F462 HydrophobicContact CG-CD2 4.22Å; L292-F462 HydrophobicContact CG-CE2 3.72Å; L292-F462 HydrophobicContact CG-CZ 4.37Å |
| 293 | R | 85.3 | Confident | 88.4 | Confident | 138 Ų | 138 | 35.5 Ų | 35.5 | 52% | 0.521 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -8.8 | 178.2 | -81.6 | 173.9 | 150.7 | -177.1 | -5.2 | 114 | R290 L291 D422 | R290-R293 CarbonylContact O-C 3.58Å; R290-R293 PolarHBondContact O-N 2.89Å; L291-R293 PolarHBondContact O-N 3.19Å; L291-R293 VanDerWaalsContact O-N 3.08Å; R293-D422 IonicContact CZ-OD2 2.68Å; R293-D422 IonicContact NE-OD1 2.75Å; R293-D422 IonicContact NE-OD2 2.63Å; R293-D422 PolarHBondContact NE-OD2 2.91Å; R293-D422 IonicContact NH2-OD1 3.16Å; R293-D422 IonicContact NH2-OD2 3.97Å; R293-D422 PolarHBondContact NH2-OD2 3.47Å |
| 294 | W | 85.5 | Confident | 88.6 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -72.4 | 150.1 | -174.3 | -116.5 | -24.4 | 0 | 0 | 0 | 112.6 | W255 R290 L291 H296 D299 Q316 | W255-W294 HydrophobicContact CB-CH2 3.77Å; W255-W294 HydrophobicContact CB-CZ3 4.27Å; W255-W294 AromaticContact CD1-CH2 3.41Å; W255-W294 VanDerWaalsContact CD1-CH2 3.41Å; W255-W294 AromaticContact CD1-CZ3 3.37Å; W255-W294 AromaticContact CG-CH2 3.88Å; W255-W294 HydrophobicContact CG-CH2 3.88Å; W255-W294 AromaticContact CG-CZ3 3.98Å; W255-W294 HydrophobicContact CG-CZ3 3.98Å; R290-W294 PolarHBondContact O-N 3.41Å; L291-W294 HydrophobicContact CD2-CE3 3.49Å; L291-W294 VanDerWaalsContact CD2-CE3 3.49Å; L291-W294 HydrophobicContact CD2-CZ3 3.54Å; L291-W294 PolarHBondContact O-N 3.18Å; W294-H296 PolarHBondContact O-N 3.46Å; W294-D299 HydrophobicContact CD2-CB 4.01Å; W294-D299 HydrophobicContact CG-CB 4.15Å; W294-D299 HydrophobicContact CZ2-CB 4.1Å; W294-D299 VanDerWaalsContact NE1-CG 3.33Å; W294-D299 PolarHBondContact NE1-OD2 2.93Å; W294-Q316 PolarHBondContact O-NE2 3.44Å |
| 295 | D | 84.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 35.4 Ų | 35.4 | 46% | 0.46 | 19% | 0.192 | S | C | . | . | trans | -86.6 | 99.3 | 164.4 | 173.5 | 31.8 | 0 | 0 | 0 | 109.4 | A297 S298 D299 | D295-A297 PolarHBondContact O-N 3.16Å; D295-A297 VanDerWaalsContact O-N 3.16Å; D295-A297 WeakPolarHBondContact OD1-CB 3.36Å; D295-A297 PolarHBondContact OD1-N 3.32Å; D295-A297 VanDerWaalsContact OD1-N 3.17Å; D295-S298 PolarHBondContact O-N 3.27Å; D295-S298 VanDerWaalsContact OD2-CB 3.27Å; D295-S298 WeakPolarHBondContact OD2-CB 3.44Å; D295-S298 PolarHBondContact OD2-N 2.91Å; D295-S298 PolarHBondContact OD2-OG 2.96Å; D295-D299 PolarHBondContact O-N 3.44Å | ||
| 296 | H | 85.8 | Confident | 88.9 | Confident | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.7 | -178 | -57.9 | -62.7 | 0 | 0 | 0 | 114.3 | L291 W294 D299 F301 L313 Q316 | L291-H296 PolarHBondContact O-CE1 3.41Å; L291-H296 PolarHBondContact O-NE2 2.69Å; L291-H296 VanDerWaalsContact O-NE2 3.13Å; W294-H296 PolarHBondContact O-N 3.46Å; H296-D299 WeakPolarHBondContact CA-O 3.43Å; H296-F301 HydrophobicContact CB-CE2 4.04Å; H296-F301 AromaticContact CD2-CZ 3.81Å; H296-F301 AromaticContact CE1-CE1 3.53Å; H296-F301 AromaticContact CE1-CE2 3.84Å; H296-F301 AromaticContact CE1-CZ 3.3Å; H296-F301 WeakPolarHBondContact CE1-CZ 3.21Å; H296-F301 AromaticContact CG-CE2 3.58Å; H296-F301 AromaticContact CG-CZ 3.73Å; H296-F301 AromaticContact ND1-CD2 3.94Å; H296-F301 AromaticContact ND1-CE1 3.91Å; H296-F301 AromaticContact ND1-CE2 3.46Å; H296-F301 WeakPolarHBondContact ND1-CE2 3.46Å; H296-F301 AromaticContact ND1-CZ 3.44Å; H296-F301 WeakPolarHBondContact ND1-CZ 3.16Å; H296-F301 AromaticContact NE2-CZ 3.54Å; H296-L313 HydrophobicContact CB-CD2 4.16Å; H296-L313 VanDerWaalsContact CD2-CD2 3.49Å; H296-L313 WeakPolarHBondContact CD2-CD2 3.47Å; H296-Q316 PolarHBondContact CD2-NE2 3.2Å; H296-Q316 PolarHBondContact NE2-NE2 3.11Å; H296-Q316 VanDerWaalsContact NE2-NE2 3.15Å |
| 297 | A | 82.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 39 Ų | 39 | 78% | 0.777 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D295 | D295-A297 PolarHBondContact O-N 3.16Å; D295-A297 VanDerWaalsContact O-N 3.16Å; D295-A297 WeakPolarHBondContact OD1-CB 3.36Å; D295-A297 PolarHBondContact OD1-N 3.32Å; D295-A297 VanDerWaalsContact OD1-N 3.17Å |
| 298 | S | 83.8 | Confident | 89 | Confident | 90 Ų | 90 | 39 Ų | 39 | 63% | 0.629 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -37.9 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | D295 | D295-S298 PolarHBondContact O-N 3.27Å; D295-S298 VanDerWaalsContact OD2-CB 3.27Å; D295-S298 WeakPolarHBondContact OD2-CB 3.44Å; D295-S298 PolarHBondContact OD2-N 2.91Å; D295-S298 PolarHBondContact OD2-OG 2.96Å |
| 299 | D | 84.8 | Confident | 88.9 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -116 | 112.4 | -179.4 | -84.6 | -47.6 | 0 | 0 | 0 | 111.2 | K254 W294 D295 H296 | K254-D299 IonicContact NZ-OD1 2.61Å; K254-D299 PolarHBondContact NZ-OD1 3.15Å; W294-D299 HydrophobicContact CD2-CB 4.01Å; W294-D299 HydrophobicContact CG-CB 4.15Å; W294-D299 HydrophobicContact CZ2-CB 4.1Å; W294-D299 VanDerWaalsContact NE1-CG 3.33Å; W294-D299 PolarHBondContact NE1-OD2 2.93Å; D295-D299 PolarHBondContact O-N 3.44Å; H296-D299 WeakPolarHBondContact CA-O 3.43Å |
| 300 | P | 87.8 | Confident | 88.9 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 156.9 | 179.8 | 30.3 | -35.7 | 0 | 0 | 0 | 112.3 | Y251 | Y251-P300 HydrophobicContact CD1-CG 3.54Å; Y251-P300 HydrophobicContact CE1-CG 3.46Å; Y251-P300 VanDerWaalsContact CE1-CG 3.46Å; Y251-P300 HydrophobicContact CG-CG 4.19Å |
| 301 | F | 91.2 | Very high | 89 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.5 | 176.8 | -80.1 | -85.7 | 0 | 0 | 0 | 112.6 | H296 V305 L306 Q309 F312 L313 | H296-F301 HydrophobicContact CB-CE2 4.04Å; H296-F301 AromaticContact CD2-CZ 3.81Å; H296-F301 AromaticContact CE1-CE1 3.53Å; H296-F301 AromaticContact CE1-CE2 3.84Å; H296-F301 AromaticContact CE1-CZ 3.3Å; H296-F301 WeakPolarHBondContact CE1-CZ 3.21Å; H296-F301 AromaticContact CG-CE2 3.58Å; H296-F301 AromaticContact CG-CZ 3.73Å; H296-F301 AromaticContact ND1-CD2 3.94Å; H296-F301 AromaticContact ND1-CE1 3.91Å; H296-F301 AromaticContact ND1-CE2 3.46Å; H296-F301 WeakPolarHBondContact ND1-CE2 3.46Å; H296-F301 AromaticContact ND1-CZ 3.44Å; H296-F301 WeakPolarHBondContact ND1-CZ 3.16Å; H296-F301 AromaticContact NE2-CZ 3.54Å; F301-V305 HydrophobicContact CD1-CG1 4.15Å; F301-L306 HydrophobicContact CB-CD2 4.19Å; F301-Q309 HydrophobicContact CB-CG 4.03Å; F301-Q309 HydrophobicContact CD1-CG 4.44Å; F301-Q309 HydrophobicContact CD2-CB 4Å; F301-Q309 HydrophobicContact CD2-CG 3.62Å; F301-Q309 HydrophobicContact CE2-CB 3.99Å; F301-Q309 HydrophobicContact CE2-CG 4.14Å; F301-Q309 HydrophobicContact CG-CB 4.44Å; F301-Q309 HydrophobicContact CG-CG 3.78Å; F301-Q309 HydrophobicContact CZ-CB 4.44Å; F301-F312 HydrophobicContact CE1-CB 3.6Å; F301-F312 HydrophobicContact CE1-CG 4.21Å; F301-F312 HydrophobicContact CZ-CB 3.91Å; F301-L313 HydrophobicContact CE2-CD1 4.42Å; F301-L313 HydrophobicContact CE2-CD2 4.4Å; F301-L313 HydrophobicContact CE2-CG 4.17Å; F301-L313 HydrophobicContact CZ-CD2 4.44Å; F301-L313 HydrophobicContact CZ-CG 4.13Å |
| 302 | P | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 147.5 | 171 | -23.8 | 33.8 | 0 | 0 | 0 | 112.7 | W255 L291 T304 V305 L306 | W255-P302 HydrophobicContact CB-CG 3.99Å; W255-P302 HydrophobicContact CD2-CB 4.33Å; W255-P302 HydrophobicContact CD2-CG 3.47Å; W255-P302 VanDerWaalsContact CD2-CG 3.47Å; W255-P302 HydrophobicContact CE3-CB 3.9Å; W255-P302 HydrophobicContact CE3-CG 3.54Å; W255-P302 HydrophobicContact CG-CG 3.71Å; W255-P302 HydrophobicContact CZ3-CB 4.33Å; W255-P302 HydrophobicContact CZ3-CG 4.13Å; L291-P302 HydrophobicContact CD2-CG 4.23Å; P302-T304 PolarHBondContact O-N 3.09Å; P302-V305 HydrophobicContact CB-CB 4.44Å; P302-V305 HydrophobicContact CB-CG2 4.13Å; P302-V305 HydrophobicContact CG-CG2 4.35Å; P302-V305 PolarHBondContact O-N 2.92Å; P302-L306 PolarHBondContact O-N 3.49Å |
| 303 | E | 91.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -60 | -32.5 | -177.9 | -58.7 | 92.4 | 159.5 | 0 | 0 | 112.8 | A248 L249 D250 Y251 T252 V305 L306 | A248-E303 WeakPolarHBondContact O-CB 3.27Å; A248-E303 VanDerWaalsContact O-CG 3.32Å; A248-E303 WeakPolarHBondContact O-CG 3.44Å; L249-E303 VanDerWaalsContact C-OE1 3.27Å; L249-E303 VanDerWaalsContact CA-CD 3.49Å; L249-E303 WeakPolarHBondContact CA-OE1 3.38Å; L249-E303 WeakPolarHBondContact CA-OE2 3.44Å; L249-E303 PolarHBondContact N-OE1 2.66Å; D250-E303 PolarHBondContact N-OE1 3.43Å; Y251-E303 HydrophobicContact CD2-CG 4.4Å; Y251-E303 WeakPolarHBondContact CD2-OE1 3.49Å; Y251-E303 PolarHBondContact N-OE1 2.88Å; Y251-E303 PolarHBondContact N-OE2 3Å; T252-E303 VanDerWaalsContact CB-OE2 3.31Å; T252-E303 WeakPolarHBondContact CB-OE2 3.45Å; T252-E303 PolarHBondContact N-OE2 3.46Å; T252-E303 PolarHBondContact OG1-N 3.15Å; T252-E303 PolarHBondContact OG1-OE2 3.07Å; E303-V305 PolarHBondContact O-N 3.2Å; E303-L306 HydrophobicContact CB-CD1 4.35Å; E303-L306 WeakPolarHBondContact O-CG 3.41Å |
| 304 | T | 91.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -74.1 | -4.6 | 175.9 | 57 | 0 | 0 | 0 | 0 | 114.3 | F238 L249 T252 P302 N469 F473 Y477 | F238-T304 HydrophobicContact CE1-CG2 4.12Å; F238-T304 HydrophobicContact CZ-CG2 3.9Å; L249-T304 HydrophobicContact CD2-CG2 3.89Å; T252-T304 HydrophobicContact CG2-CG2 4.2Å; P302-T304 PolarHBondContact O-N 3.09Å; T304-N469 PolarHBondContact O-ND2 2.65Å; T304-F473 HydrophobicContact CG2-CB 4.3Å; T304-F473 HydrophobicContact CG2-CD1 3.63Å; T304-F473 HydrophobicContact CG2-CE1 4.16Å; T304-F473 HydrophobicContact CG2-CG 4.03Å; T304-F473 WeakPolarHBondContact O-CE2 3.22Å; T304-Y477 WeakPolarHBondContact CB-OH 3.42Å; T304-Y477 HydrophobicContact CG2-CE1 3.85Å; T304-Y477 WeakPolarHBondContact OG1-CE1 3.38Å; T304-Y477 PolarHBondContact OG1-OH 2.85Å |
| 305 | V | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -119.8 | 1.6 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | Y288 L291 F301 P302 E303 M307 D308 Q309 F312 | Y288-V305 HydrophobicContact CE1-CG2 4.45Å; L291-V305 HydrophobicContact CD1-CG1 4.16Å; L291-V305 HydrophobicContact CD1-CG2 4.45Å; F301-V305 HydrophobicContact CD1-CG1 4.15Å; P302-V305 HydrophobicContact CB-CB 4.44Å; P302-V305 HydrophobicContact CB-CG2 4.13Å; P302-V305 HydrophobicContact CG-CG2 4.35Å; P302-V305 PolarHBondContact O-N 2.92Å; E303-V305 PolarHBondContact O-N 3.2Å; V305-M307 VanDerWaalsContact C-N 3.28Å; V305-M307 PolarHBondContact O-N 2.99Å; V305-M307 VanDerWaalsContact O-N 3.16Å; V305-D308 HydrophobicContact CG1-CB 4.38Å; V305-D308 PolarHBondContact O-N 2.75Å; V305-Q309 PolarHBondContact O-N 2.77Å; V305-F312 HydrophobicContact CG1-CD2 3.59Å; V305-F312 HydrophobicContact CG1-CE2 3.41Å; V305-F312 VanDerWaalsContact CG1-CE2 3.41Å; V305-F312 HydrophobicContact CG1-CZ 4.21Å |
| 306 | L | 90 | Very high | 90.4 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -62.5 | -26.8 | -172 | -59.9 | 175.4 | 0 | 0 | 0 | 114.9 | F301 P302 E303 D308 Q309 | F301-L306 HydrophobicContact CB-CD2 4.19Å; P302-L306 PolarHBondContact O-N 3.49Å; E303-L306 HydrophobicContact CB-CD1 4.35Å; E303-L306 WeakPolarHBondContact O-CG 3.41Å; L306-D308 VanDerWaalsContact C-N 3.25Å; L306-D308 PolarHBondContact O-N 3.05Å; L306-Q309 WeakPolarHBondContact O-CG 3.32Å |
| 307 | M | 89.5 | Confident | 90.7 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 30% | 0.3 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -72 | -20.7 | 175.2 | -66.1 | -170.3 | -71.4 | 0 | 0 | 112.9 | M64 A65 H68 E234 V305 | M64-M307 HydrophobicContact CE-CE 4.19Å; M64-M307 HydrophobicContact CE-SD 3.91Å; A65-M307 HydrophobicContact CB-SD 4.41Å; H68-M307 HydrophobicContact CB-CE 4.06Å; H68-M307 HydrophobicContact CB-SD 4.06Å; H68-M307 WeakPolarHBondContact ND1-CE 3.34Å; E234-M307 HydrophobicContact CG-CE 4.22Å; E234-M307 VanDerWaalsContact OE1-CE 3.26Å; E234-M307 WeakPolarHBondContact OE1-CE 3.43Å; V305-M307 VanDerWaalsContact C-N 3.28Å; V305-M307 PolarHBondContact O-N 2.99Å; V305-M307 VanDerWaalsContact O-N 3.16Å |
| 308 | D | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -108.2 | 3.5 | -171.5 | -73.8 | -41.3 | 0 | 0 | 0 | 114.2 | H68 V305 L306 V310 R311 F312 L465 | H68-D308 IonicContact CE1-OD2 2.83Å; H68-D308 IonicContact NE2-OD1 2.71Å; H68-D308 PolarHBondContact NE2-OD1 3.48Å; H68-D308 IonicContact NE2-OD2 2.8Å; V305-D308 HydrophobicContact CG1-CB 4.38Å; V305-D308 PolarHBondContact O-N 2.75Å; L306-D308 VanDerWaalsContact C-N 3.25Å; L306-D308 PolarHBondContact O-N 3.05Å; D308-V310 VanDerWaalsContact C-N 3.28Å; D308-V310 PolarHBondContact O-N 2.89Å; D308-V310 VanDerWaalsContact O-N 3.13Å; D308-R311 WeakPolarHBondContact O-CA 3.23Å; D308-R311 WeakPolarHBondContact O-CB 3.49Å; D308-R311 PolarHBondContact O-N 3.22Å; D308-R311 WeakPolarHBondContact OD1-CD 3.3Å; D308-R311 IonicContact OD1-CZ 3.78Å; D308-R311 IonicContact OD1-NE 3.36Å; D308-R311 IonicContact OD1-NH1 3.49Å; D308-R311 PolarHBondContact OD1-NH1 2.59Å; D308-F312 HydrophobicContact CB-CD2 3.74Å; D308-F312 HydrophobicContact CB-CE2 3.72Å; D308-F312 WeakPolarHBondContact O-CD2 3.48Å; D308-F312 PolarHBondContact O-N 2.72Å; D308-L465 HydrophobicContact CB-CD1 4.4Å; D308-L465 HydrophobicContact CB-CD2 4.24Å; D308-L465 WeakPolarHBondContact OD1-CD1 3.49Å |
| 309 | Q | 92.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 34% | 0.341 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -47.5 | -48.4 | -173.9 | -64.7 | -177.6 | 5.5 | 0 | 0 | 113.3 | F301 V305 L306 R311 F312 L313 | F301-Q309 HydrophobicContact CB-CG 4.03Å; F301-Q309 HydrophobicContact CD1-CG 4.44Å; F301-Q309 HydrophobicContact CD2-CB 4Å; F301-Q309 HydrophobicContact CD2-CG 3.62Å; F301-Q309 HydrophobicContact CE2-CB 3.99Å; F301-Q309 HydrophobicContact CE2-CG 4.14Å; F301-Q309 HydrophobicContact CG-CB 4.44Å; F301-Q309 HydrophobicContact CG-CG 3.78Å; F301-Q309 HydrophobicContact CZ-CB 4.44Å; V305-Q309 PolarHBondContact O-N 2.77Å; L306-Q309 WeakPolarHBondContact O-CG 3.32Å; Q309-R311 VanDerWaalsContact C-N 3.34Å; Q309-R311 PolarHBondContact O-N 2.92Å; Q309-F312 PolarHBondContact O-N 3.41Å; Q309-L313 VanDerWaalsContact O-CG 3.32Å; Q309-L313 WeakPolarHBondContact O-CG 3.44Å; Q309-L313 PolarHBondContact O-N 3.42Å |
| 310 | V | 91.8 | Very high | 92 | Very high | 97 Ų | 97 | 41.9 Ų | 41.9 | 59% | 0.588 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -42.1 | -179.1 | -176 | 0 | 0 | 0 | 0 | 111 | D308 F312 L313 E314 | D308-V310 VanDerWaalsContact C-N 3.28Å; D308-V310 PolarHBondContact O-N 2.89Å; D308-V310 VanDerWaalsContact O-N 3.13Å; V310-F312 PolarHBondContact O-N 2.59Å; V310-L313 PolarHBondContact O-N 3.24Å; V310-E314 HydrophobicContact CG1-CG 4.46Å; V310-E314 WeakPolarHBondContact O-CB 3.37Å; V310-E314 VanDerWaalsContact O-CG 3.3Å; V310-E314 WeakPolarHBondContact O-CG 3.16Å; V310-E314 PolarHBondContact O-N 2.89Å |
| 311 | R | 93.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.6 | -62.8 | 174.6 | 167.5 | 118 | 15.4 | 112 | E69 D308 Q309 L313 M315 L465 | E69-R311 IonicContact OE1-CZ 2.79Å; E69-R311 IonicContact OE1-NH1 2.68Å; E69-R311 PolarHBondContact OE1-NH1 3.25Å; E69-R311 IonicContact OE1-NH2 3.56Å; E69-R311 PolarHBondContact OE1-NH2 2.74Å; E69-R311 IonicContact OE2-CZ 2.84Å; E69-R311 IonicContact OE2-NH2 3.48Å; E69-R311 PolarHBondContact OE2-NH2 2.92Å; D308-R311 WeakPolarHBondContact O-CA 3.23Å; D308-R311 WeakPolarHBondContact O-CB 3.49Å; D308-R311 PolarHBondContact O-N 3.22Å; D308-R311 WeakPolarHBondContact OD1-CD 3.3Å; D308-R311 IonicContact OD1-CZ 3.78Å; D308-R311 IonicContact OD1-NE 3.36Å; D308-R311 IonicContact OD1-NH1 3.49Å; D308-R311 PolarHBondContact OD1-NH1 2.59Å; Q309-R311 VanDerWaalsContact C-N 3.34Å; Q309-R311 PolarHBondContact O-N 2.92Å; R311-L313 VanDerWaalsContact C-N 3.35Å; R311-M315 WeakPolarHBondContact O-CB 3.4Å; R311-M315 VanDerWaalsContact O-CG 3.24Å; R311-M315 WeakPolarHBondContact O-CG 3.44Å; R311-M315 PolarHBondContact O-N 3.47Å; R311-L465 HydrophobicContact CB-CD2 3.92Å |
| 312 | F | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | 176.8 | -80.8 | -80.8 | 0 | 0 | 0 | 111.9 | Y288 L291 L292 F301 V305 D308 Q309 V310 M315 Q316 F462 L465 V466 | Y288-F312 HydrophobicContact CD1-CE1 4.3Å; Y288-F312 HydrophobicContact CD1-CZ 4.06Å; Y288-F312 HydrophobicContact CE1-CZ 4.38Å; L291-F312 HydrophobicContact CB-CD1 4.11Å; L291-F312 HydrophobicContact CB-CE1 4.43Å; L291-F312 HydrophobicContact CD1-CD1 4.02Å; L291-F312 HydrophobicContact CD1-CE1 3.77Å; L291-F312 HydrophobicContact CD1-CZ 4.07Å; L292-F312 HydrophobicContact CD2-CD1 4.18Å; F301-F312 HydrophobicContact CE1-CB 3.6Å; F301-F312 HydrophobicContact CE1-CG 4.21Å; F301-F312 HydrophobicContact CZ-CB 3.91Å; V305-F312 HydrophobicContact CG1-CD2 3.59Å; V305-F312 HydrophobicContact CG1-CE2 3.41Å; V305-F312 VanDerWaalsContact CG1-CE2 3.41Å; V305-F312 HydrophobicContact CG1-CZ 4.21Å; D308-F312 HydrophobicContact CB-CD2 3.74Å; D308-F312 HydrophobicContact CB-CE2 3.72Å; D308-F312 WeakPolarHBondContact O-CD2 3.48Å; D308-F312 PolarHBondContact O-N 2.72Å; Q309-F312 PolarHBondContact O-N 3.41Å; V310-F312 PolarHBondContact O-N 2.59Å; F312-M315 HydrophobicContact CD1-CE 4Å; F312-M315 HydrophobicContact CE1-CE 4.22Å; F312-M315 HydrophobicContact CG-CE 4.29Å; F312-Q316 WeakPolarHBondContact O-CB 3.42Å; F312-Q316 PolarHBondContact O-N 2.81Å; F312-F462 HydrophobicContact CE1-CD2 4.29Å; F312-F462 AromaticContact CE1-CE2 3.94Å; F312-F462 HydrophobicContact CE1-CE2 3.94Å; F312-L465 HydrophobicContact CD2-CD2 3.88Å; F312-L465 HydrophobicContact CE1-CD2 4.38Å; F312-L465 HydrophobicContact CE2-CD2 3.41Å; F312-L465 VanDerWaalsContact CE2-CD2 3.41Å; F312-L465 HydrophobicContact CE2-CG 4.07Å; F312-L465 HydrophobicContact CZ-CD2 3.71Å; F312-L465 HydrophobicContact CZ-CG 4.25Å; F312-V466 HydrophobicContact CZ-CG2 4.39Å |
| 313 | L | 92.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 173.1 | -71.8 | 166.2 | 0 | 0 | 0 | 112.1 | H296 F301 Q309 V310 R311 Q316 Q317 | H296-L313 HydrophobicContact CB-CD2 4.16Å; H296-L313 VanDerWaalsContact CD2-CD2 3.49Å; H296-L313 WeakPolarHBondContact CD2-CD2 3.47Å; F301-L313 HydrophobicContact CE2-CD1 4.42Å; F301-L313 HydrophobicContact CE2-CD2 4.4Å; F301-L313 HydrophobicContact CE2-CG 4.17Å; F301-L313 HydrophobicContact CZ-CD2 4.44Å; F301-L313 HydrophobicContact CZ-CG 4.13Å; Q309-L313 VanDerWaalsContact O-CG 3.32Å; Q309-L313 WeakPolarHBondContact O-CG 3.44Å; Q309-L313 PolarHBondContact O-N 3.42Å; V310-L313 PolarHBondContact O-N 3.24Å; R311-L313 VanDerWaalsContact C-N 3.35Å; L313-Q316 PolarHBondContact O-N 3.21Å; L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 3.17Å |
| 314 | E | 92.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 40.4 Ų | 40.4 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 173.8 | -73.2 | 168.8 | 172.3 | 0 | 0 | 111.3 | V310 Q316 Q317 E318 | V310-E314 HydrophobicContact CG1-CG 4.46Å; V310-E314 WeakPolarHBondContact O-CB 3.37Å; V310-E314 VanDerWaalsContact O-CG 3.3Å; V310-E314 WeakPolarHBondContact O-CG 3.16Å; V310-E314 PolarHBondContact O-N 2.89Å; E314-Q316 VanDerWaalsContact C-N 3.31Å; E314-Q316 PolarHBondContact O-N 3.49Å; E314-Q317 PolarHBondContact O-N 3.37Å; E314-Q317 VanDerWaalsContact O-N 3.17Å; E314-E318 WeakPolarHBondContact O-CB 3.43Å; E314-E318 PolarHBondContact O-N 2.88Å |
| 315 | M | 94.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -32.9 | 178.1 | -72.5 | -170 | -59.3 | 0 | 0 | 112.8 | L292 R311 F312 A319 L458 R461 F462 L465 | L292-M315 HydrophobicContact CD2-CB 3.81Å; R311-M315 WeakPolarHBondContact O-CB 3.4Å; R311-M315 VanDerWaalsContact O-CG 3.24Å; R311-M315 WeakPolarHBondContact O-CG 3.44Å; R311-M315 PolarHBondContact O-N 3.47Å; F312-M315 HydrophobicContact CD1-CE 4Å; F312-M315 HydrophobicContact CE1-CE 4.22Å; F312-M315 HydrophobicContact CG-CE 4.29Å; M315-A319 VanDerWaalsContact O-CB 3.27Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.05Å; M315-L458 HydrophobicContact CB-CD1 3.63Å; M315-L458 HydrophobicContact CG-CD1 3.56Å; M315-L458 HydrophobicContact SD-CD1 4.1Å; M315-R461 HydrophobicContact SD-CB 4.15Å; M315-F462 HydrophobicContact CE-CD2 3.94Å; M315-F462 HydrophobicContact SD-CB 3.8Å; M315-F462 HydrophobicContact SD-CD2 4.22Å; M315-L465 HydrophobicContact CE-CD2 3.45Å; M315-L465 VanDerWaalsContact CE-CD2 3.45Å |
| 316 | Q | 93.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 172 | 171.1 | 178 | 115.2 | 0 | 0 | 111.3 | L291 L292 W294 H296 F312 L313 E314 A319 K320 | L291-Q316 PolarHBondContact O-NE2 2.77Å; L292-Q316 WeakPolarHBondContact O-CG 3.32Å; L292-Q316 PolarHBondContact O-NE2 2.92Å; W294-Q316 PolarHBondContact O-NE2 3.44Å; H296-Q316 PolarHBondContact CD2-NE2 3.2Å; H296-Q316 PolarHBondContact NE2-NE2 3.11Å; H296-Q316 VanDerWaalsContact NE2-NE2 3.15Å; F312-Q316 WeakPolarHBondContact O-CB 3.42Å; F312-Q316 PolarHBondContact O-N 2.81Å; L313-Q316 PolarHBondContact O-N 3.21Å; E314-Q316 VanDerWaalsContact C-N 3.31Å; E314-Q316 PolarHBondContact O-N 3.49Å; Q316-A319 PolarHBondContact O-N 3.25Å; Q316-K320 VanDerWaalsContact CD-NZ 3.31Å; Q316-K320 HydrophobicContact CG-CD 3.98Å; Q316-K320 WeakPolarHBondContact O-CB 3.29Å; Q316-K320 VanDerWaalsContact O-CG 3.27Å; Q316-K320 WeakPolarHBondContact O-CG 3.31Å; Q316-K320 PolarHBondContact O-N 2.84Å |
| 317 | Q | 91.5 | Very high | 92.7 | Very high | 84 Ų | 84 | 36 Ų | 36 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.5 | -70.2 | 174.8 | 22.3 | 0 | 0 | 111.1 | L313 E314 K320 W321 H362 | L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 3.17Å; E314-Q317 PolarHBondContact O-N 3.37Å; E314-Q317 VanDerWaalsContact O-N 3.17Å; Q317-K320 PolarHBondContact O-N 2.91Å; Q317-W321 WeakPolarHBondContact O-CB 3.4Å; Q317-W321 PolarHBondContact O-N 3.27Å; Q317-H362 VanDerWaalsContact OE1-CB 3.25Å |
| 318 | E | 92.9 | Very high | 92.8 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 19% | 0.192 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.4 | -171.8 | 179.2 | 179.2 | 0 | 0 | 112.1 | E314 W321 L322 L458 R461 | E314-E318 WeakPolarHBondContact O-CB 3.43Å; E314-E318 PolarHBondContact O-N 2.88Å; E318-W321 PolarHBondContact O-N 2.97Å; E318-L322 HydrophobicContact CG-CD1 4.4Å; E318-L322 WeakPolarHBondContact O-CB 3.41Å; E318-L322 VanDerWaalsContact O-CG 3.31Å; E318-L322 WeakPolarHBondContact O-CG 3.31Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-L458 HydrophobicContact CG-CD2 4.36Å; E318-R461 IonicContact OE1-CZ 3.32Å; E318-R461 IonicContact OE1-NH2 3.76Å; E318-R461 PolarHBondContact OE1-NH2 3.25Å; E318-R461 IonicContact OE2-CZ 3.47Å; E318-R461 IonicContact OE2-NH1 2.87Å; E318-R461 PolarHBondContact OE2-NH1 3.31Å; E318-R461 IonicContact OE2-NH2 2.72Å; E318-R461 PolarHBondContact OE2-NH2 3.35Å |
| 319 | A | 93.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M315 Q316 W321 L322 V323 L458 | M315-A319 VanDerWaalsContact O-CB 3.27Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.05Å; Q316-A319 PolarHBondContact O-N 3.25Å; A319-W321 VanDerWaalsContact C-N 3.32Å; A319-W321 PolarHBondContact O-N 3.38Å; A319-L322 PolarHBondContact O-N 3.38Å; A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.08Å; A319-L458 HydrophobicContact CB-CD2 4.15Å |
| 320 | K | 91.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 31.1 Ų | 31.1 | 44% | 0.435 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59 | -41.7 | 174.9 | -73.2 | 167.8 | 177 | 177.5 | 0 | 111.5 | Q316 Q317 V323 L324 M361 | Q316-K320 VanDerWaalsContact CD-NZ 3.31Å; Q316-K320 HydrophobicContact CG-CD 3.98Å; Q316-K320 WeakPolarHBondContact O-CB 3.29Å; Q316-K320 VanDerWaalsContact O-CG 3.27Å; Q316-K320 WeakPolarHBondContact O-CG 3.31Å; Q316-K320 PolarHBondContact O-N 2.84Å; Q317-K320 PolarHBondContact O-N 2.91Å; K320-V323 PolarHBondContact O-N 3.1Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.19Å; K320-M361 HydrophobicContact CB-CE 4.17Å |
| 321 | W | 92.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 26.7 Ų | 26.7 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | 178.8 | 92.1 | 0 | 0 | 0 | 112.2 | Q317 E318 A319 V323 L324 L325 M361 E454 | Q317-W321 WeakPolarHBondContact O-CB 3.4Å; Q317-W321 PolarHBondContact O-N 3.27Å; E318-W321 PolarHBondContact O-N 2.97Å; A319-W321 VanDerWaalsContact C-N 3.32Å; A319-W321 PolarHBondContact O-N 3.38Å; W321-V323 VanDerWaalsContact C-N 3.33Å; W321-V323 PolarHBondContact O-N 3.25Å; W321-L324 PolarHBondContact O-N 3.41Å; W321-L325 HydrophobicContact CE3-CD2 4.33Å; W321-L325 HydrophobicContact CH2-CD2 3.41Å; W321-L325 VanDerWaalsContact CH2-CD2 3.41Å; W321-L325 HydrophobicContact CZ2-CD2 3.81Å; W321-L325 HydrophobicContact CZ3-CD2 3.7Å; W321-L325 WeakPolarHBondContact O-CB 3.42Å; W321-L325 PolarHBondContact O-N 2.91Å; W321-M361 HydrophobicContact CB-CE 3.84Å; W321-E454 HydrophobicContact CZ3-CG 4.4Å |
| 322 | L | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.2 | -74.6 | 171.8 | 0 | 0 | 0 | 112.3 | E318 A319 S326 I425 V451 E454 L455 L458 | E318-L322 HydrophobicContact CG-CD1 4.4Å; E318-L322 WeakPolarHBondContact O-CB 3.41Å; E318-L322 VanDerWaalsContact O-CG 3.31Å; E318-L322 WeakPolarHBondContact O-CG 3.31Å; E318-L322 PolarHBondContact O-N 3.11Å; A319-L322 PolarHBondContact O-N 3.38Å; L322-S326 VanDerWaalsContact O-CB 3.28Å; L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 3.05Å; L322-S326 PolarHBondContact O-OG 3.39Å; L322-I425 HydrophobicContact CB-CD1 3.85Å; L322-V451 HydrophobicContact CD2-CB 3.96Å; L322-V451 HydrophobicContact CD2-CG1 4.44Å; L322-V451 HydrophobicContact CD2-CG2 4.48Å; L322-E454 HydrophobicContact CD2-CB 3.77Å; L322-L455 HydrophobicContact CD1-CB 4.32Å; L322-L455 HydrophobicContact CD1-CD1 4.17Å; L322-L458 HydrophobicContact CD1-CB 4.49Å; L322-L458 HydrophobicContact CD1-CD2 3.57Å |
| 323 | V | 93.3 | Very high | 91.9 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | A319 K320 W321 S326 S327 R418 M421 D422 I425 | A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.08Å; K320-V323 PolarHBondContact O-N 3.1Å; W321-V323 VanDerWaalsContact C-N 3.33Å; W321-V323 PolarHBondContact O-N 3.25Å; V323-S326 PolarHBondContact O-OG 3.45Å; V323-S327 VanDerWaalsContact O-CB 3.26Å; V323-S327 WeakPolarHBondContact O-CB 3.32Å; V323-S327 PolarHBondContact O-N 3.37Å; V323-S327 PolarHBondContact O-OG 2.84Å; V323-R418 HydrophobicContact CG1-CG 3.82Å; V323-M421 HydrophobicContact CG1-CB 4.44Å; V323-D422 HydrophobicContact CG1-CB 4.09Å; V323-D422 HydrophobicContact CG2-CB 3.8Å; V323-I425 HydrophobicContact CB-CD1 4.44Å; V323-I425 HydrophobicContact CG2-CD1 3.68Å |
| 324 | L | 92.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.1 | -47.3 | -179 | -67.4 | 165.6 | 0 | 0 | 0 | 111.7 | K320 W321 S327 V328 L358 M361 M368 I410 | K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.19Å; W321-L324 PolarHBondContact O-N 3.41Å; L324-S327 PolarHBondContact O-N 3.23Å; L324-V328 WeakPolarHBondContact O-CG2 3.33Å; L324-V328 PolarHBondContact O-N 2.93Å; L324-L358 HydrophobicContact CB-CD1 4.17Å; L324-M361 HydrophobicContact CD1-SD 3.43Å; L324-M361 WeakPolarHBondContact CD1-SD 3.41Å; L324-M368 HydrophobicContact CD1-CE 4Å; L324-M368 HydrophobicContact CD1-SD 3.97Å; L324-M368 HydrophobicContact CD2-CE 4.32Å; L324-I410 HydrophobicContact CD2-CG2 3.45Å; L324-I410 VanDerWaalsContact CD2-CG2 3.45Å |
| 325 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.9 | 175.5 | 60.3 | 0 | 0 | 0 | 111.8 | W321 S327 V328 L329 K351 V354 V451 | W321-L325 HydrophobicContact CE3-CD2 4.33Å; W321-L325 HydrophobicContact CH2-CD2 3.41Å; W321-L325 VanDerWaalsContact CH2-CD2 3.41Å; W321-L325 HydrophobicContact CZ2-CD2 3.81Å; W321-L325 HydrophobicContact CZ3-CD2 3.7Å; W321-L325 WeakPolarHBondContact O-CB 3.42Å; W321-L325 PolarHBondContact O-N 2.91Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.93Å; L325-V328 PolarHBondContact O-N 3.38Å; L325-L329 HydrophobicContact CD1-CD1 3.85Å; L325-L329 HydrophobicContact CD1-CG 4.17Å; L325-L329 HydrophobicContact CG-CD1 4.1Å; L325-L329 WeakPolarHBondContact O-CG 3.21Å; L325-L329 PolarHBondContact O-N 3.33Å; L325-K351 HydrophobicContact CD1-CG 4.34Å; L325-K351 HydrophobicContact CD2-CG 4.3Å; L325-V354 HydrophobicContact CD1-CB 3.66Å; L325-V354 HydrophobicContact CD1-CG1 3.47Å; L325-V354 VanDerWaalsContact CD1-CG1 3.47Å; L325-V451 HydrophobicContact CD2-CG1 3.61Å; L325-V451 HydrophobicContact CG-CG1 3.79Å |
| 326 | S | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | L322 V323 L330 M421 | L322-S326 VanDerWaalsContact O-CB 3.28Å; L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 3.05Å; L322-S326 PolarHBondContact O-OG 3.39Å; V323-S326 PolarHBondContact O-OG 3.45Å; S326-L330 VanDerWaalsContact O-CB 3.25Å; S326-L330 WeakPolarHBondContact O-CB 3.26Å; S326-L330 PolarHBondContact O-N 3.31Å; S326-M421 WeakPolarHBondContact OG-CB 3.37Å |
| 327 | S | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | V323 L324 L325 L330 I331 R418 M421 | V323-S327 VanDerWaalsContact O-CB 3.26Å; V323-S327 WeakPolarHBondContact O-CB 3.32Å; V323-S327 PolarHBondContact O-N 3.37Å; V323-S327 PolarHBondContact O-OG 2.84Å; L324-S327 PolarHBondContact O-N 3.23Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.93Å; S327-L330 PolarHBondContact O-N 3.37Å; S327-I331 WeakPolarHBondContact O-CG1 3.45Å; S327-I331 PolarHBondContact O-N 2.82Å; S327-R418 WeakPolarHBondContact OG-CA 3.49Å; S327-M421 WeakPolarHBondContact OG-CG 3.46Å |
| 328 | V | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L324 L325 L330 I331 V332 V354 L372 I375 L379 I407 I410 | L324-V328 WeakPolarHBondContact O-CG2 3.33Å; L324-V328 PolarHBondContact O-N 2.93Å; L325-V328 PolarHBondContact O-N 3.38Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.12Å; V328-I331 PolarHBondContact O-N 2.85Å; V328-V332 WeakPolarHBondContact O-CG2 3.36Å; V328-V332 PolarHBondContact O-N 3.26Å; V328-V354 HydrophobicContact CB-CG1 4.23Å; V328-V354 HydrophobicContact CB-CG2 4.44Å; V328-V354 HydrophobicContact CG1-CG1 4.24Å; V328-V354 HydrophobicContact CG1-CG2 3.66Å; V328-V354 HydrophobicContact CG2-CG1 4.37Å; V328-L372 HydrophobicContact CG2-CD2 4.34Å; V328-I375 HydrophobicContact CG1-CG2 3.87Å; V328-L379 HydrophobicContact CG1-CD1 3.58Å; V328-I407 HydrophobicContact CG1-CD1 4.22Å; V328-I407 HydrophobicContact CG1-CG1 4.38Å; V328-I407 HydrophobicContact CG2-CG2 4.43Å; V328-I410 HydrophobicContact CB-CD1 4.32Å; V328-I410 HydrophobicContact CG2-CD1 3.49Å; V328-I410 VanDerWaalsContact CG2-CD1 3.49Å |
| 329 | L | 90.8 | Very high | 86.9 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | -179.3 | -66.6 | 176.1 | 0 | 0 | 0 | 112.4 | L325 Y333 M347 L350 K351 P450 V451 | L325-L329 HydrophobicContact CD1-CD1 3.85Å; L325-L329 HydrophobicContact CD1-CG 4.17Å; L325-L329 HydrophobicContact CG-CD1 4.1Å; L325-L329 WeakPolarHBondContact O-CG 3.21Å; L325-L329 PolarHBondContact O-N 3.33Å; L329-Y333 WeakPolarHBondContact O-CB 3.45Å; L329-Y333 PolarHBondContact O-N 3.3Å; L329-M347 HydrophobicContact CB-SD 4.43Å; L329-M347 HydrophobicContact CD1-SD 4.49Å; L329-M347 HydrophobicContact CD2-SD 4.05Å; L329-L350 HydrophobicContact CD2-CB 4.13Å; L329-K351 HydrophobicContact CD1-CB 4.04Å; L329-K351 HydrophobicContact CD1-CG 4.3Å; L329-P450 HydrophobicContact CD1-CB 3.82Å; L329-P450 HydrophobicContact CD1-CG 4.45Å; L329-V451 HydrophobicContact CD1-CG1 4.48Å |
| 330 | L | 90.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 173.8 | -177.5 | 57.3 | 0 | 0 | 0 | 112 | S326 S327 V328 Y333 T334 V417 M421 | S326-L330 VanDerWaalsContact O-CB 3.25Å; S326-L330 WeakPolarHBondContact O-CB 3.26Å; S326-L330 PolarHBondContact O-N 3.31Å; S327-L330 PolarHBondContact O-N 3.37Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.12Å; L330-Y333 PolarHBondContact O-N 2.95Å; L330-T334 HydrophobicContact CD1-CG2 4.14Å; L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 3.09Å; L330-V417 HydrophobicContact CB-CG1 4.46Å; L330-V417 HydrophobicContact CD2-CG1 4.1Å; L330-V417 HydrophobicContact CG-CG1 4.46Å; L330-M421 HydrophobicContact CD2-CE 3.33Å; L330-M421 HydrophobicContact CD2-SD 3.8Å |
| 331 | I | 90.5 | Very high | 84.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.1 | -69.9 | 177.9 | 0 | 0 | 0 | 110.9 | S327 V328 T334 T335 L403 Q406 I407 I410 V417 | S327-I331 WeakPolarHBondContact O-CG1 3.45Å; S327-I331 PolarHBondContact O-N 2.82Å; V328-I331 PolarHBondContact O-N 2.85Å; I331-T334 WeakPolarHBondContact CA-OG1 3.2Å; I331-T334 PolarHBondContact O-N 3.45Å; I331-T334 PolarHBondContact O-OG1 3.34Å; I331-T334 VanDerWaalsContact O-OG1 3.07Å; I331-T335 WeakPolarHBondContact O-CB 3.43Å; I331-T335 PolarHBondContact O-N 3.31Å; I331-T335 PolarHBondContact O-OG1 3.41Å; I331-L403 HydrophobicContact CG2-CD1 3.81Å; I331-Q406 HydrophobicContact CD1-CB 4.15Å; I331-Q406 WeakPolarHBondContact CD1-O 3.3Å; I331-Q406 HydrophobicContact CG2-CB 3.67Å; I331-I407 HydrophobicContact CG2-CG1 4.24Å; I331-I410 HydrophobicContact CD1-CD1 3.77Å; I331-I410 HydrophobicContact CD1-CG1 3.79Å; I331-V417 HydrophobicContact CD1-CG2 4.39Å; I331-V417 HydrophobicContact CG1-CG1 4.15Å; I331-V417 HydrophobicContact CG1-CG2 4.21Å |
| 332 | V | 88.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -50.7 | 172 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | V328 T334 T335 T336 I340 L350 L379 L383 L403 | V328-V332 WeakPolarHBondContact O-CG2 3.36Å; V328-V332 PolarHBondContact O-N 3.26Å; V332-T334 VanDerWaalsContact C-N 3.33Å; V332-T334 PolarHBondContact O-N 3Å; V332-T335 PolarHBondContact O-N 3.42Å; V332-T336 PolarHBondContact O-N 2.9Å; V332-T336 PolarHBondContact O-OG1 2.85Å; V332-I340 HydrophobicContact CG1-CD1 4.15Å; V332-L350 HydrophobicContact CG1-CD1 4.17Å; V332-L379 HydrophobicContact CG2-CD1 3.92Å; V332-L383 HydrophobicContact CG1-CD1 3.95Å; V332-L383 HydrophobicContact CG1-CD2 4.08Å; V332-L403 HydrophobicContact CG2-CD1 4.1Å |
| 333 | Y | 86 | Confident | 82.7 | Confident | 109 Ų | 109 | 35.9 Ų | 35.9 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -34.7 | -179.2 | -170.1 | -96.2 | 0 | 0 | 0 | 113.5 | L329 L330 G337 I340 M347 | L329-Y333 WeakPolarHBondContact O-CB 3.45Å; L329-Y333 PolarHBondContact O-N 3.3Å; L330-Y333 PolarHBondContact O-N 2.95Å; Y333-G337 WeakPolarHBondContact O-CA 3.35Å; Y333-G337 PolarHBondContact O-N 3.32Å; Y333-I340 HydrophobicContact CD2-CD1 4.2Å; Y333-I340 HydrophobicContact CD2-CG1 4.44Å; Y333-M347 HydrophobicContact CD2-CE 4.14Å |
| 334 | T | 86.3 | Confident | 81.8 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 61% | 0.613 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -76.2 | -22.5 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | L330 I331 V332 | L330-T334 HydrophobicContact CD1-CG2 4.14Å; L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 3.09Å; I331-T334 WeakPolarHBondContact CA-OG1 3.2Å; I331-T334 PolarHBondContact O-N 3.45Å; I331-T334 PolarHBondContact O-OG1 3.34Å; I331-T334 VanDerWaalsContact O-OG1 3.07Å; V332-T334 VanDerWaalsContact C-N 3.33Å; V332-T334 PolarHBondContact O-N 3Å |
| 335 | T | 83.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 43 Ų | 43 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -87.1 | -33.3 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | I331 V332 F395 L403 | I331-T335 WeakPolarHBondContact O-CB 3.43Å; I331-T335 PolarHBondContact O-N 3.31Å; I331-T335 PolarHBondContact O-OG1 3.41Å; V332-T335 PolarHBondContact O-N 3.42Å; T335-F395 HydrophobicContact CG2-CE2 4.29Å; T335-F395 HydrophobicContact CG2-CZ 4.24Å; T335-L403 HydrophobicContact CG2-CB 4.36Å |
| 336 | T | 76.5 | Confident | 80.7 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -127.9 | 9 | -174.6 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | V332 E338 A339 I340 L383 F395 | V332-T336 PolarHBondContact O-N 2.9Å; V332-T336 PolarHBondContact O-OG1 2.85Å; T336-E338 PolarHBondContact O-N 3.38Å; T336-A339 PolarHBondContact O-N 3.24Å; T336-I340 PolarHBondContact O-N 3.42Å; T336-I340 WeakPolarHBondContact OG1-CD1 3.42Å; T336-L383 HydrophobicContact CG2-CD1 4.25Å; T336-F395 HydrophobicContact CG2-CD2 4.13Å; T336-F395 HydrophobicContact CG2-CE2 3.51Å; T336-F395 HydrophobicContact CG2-CZ 3.96Å |
| 337 | G | 69.9 | Low | 80.2 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -46.4 | -51.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y333 A339 I340 S341 | Y333-G337 WeakPolarHBondContact O-CA 3.35Å; Y333-G337 PolarHBondContact O-N 3.32Å; G337-A339 VanDerWaalsContact C-N 3.26Å; G337-A339 PolarHBondContact O-N 3.21Å; G337-I340 PolarHBondContact O-N 3.4Å; G337-I340 VanDerWaalsContact O-N 3.17Å; G337-S341 WeakPolarHBondContact O-CB 3.33Å; G337-S341 PolarHBondContact O-N 3.06Å |
| 338 | E | 67.4 | Low | 79.9 | Confident | 199 Ų | 199 | 51.9 Ų | 51.9 | 93% | 0.93 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.8 | -33.8 | -177.5 | -61.8 | -173.5 | 156.4 | 0 | 0 | 113.3 | T336 | T336-E338 PolarHBondContact O-N 3.38Å |
| 339 | A | 66.7 | Low | 79.6 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -89.8 | -11.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T336 G337 L387 F392 | T336-A339 PolarHBondContact O-N 3.24Å; G337-A339 VanDerWaalsContact C-N 3.26Å; G337-A339 PolarHBondContact O-N 3.21Å; A339-L387 HydrophobicContact CB-CD2 3.52Å; A339-F392 HydrophobicContact CB-CD1 4.1Å; A339-F392 HydrophobicContact CB-CE1 4.36Å; A339-F392 HydrophobicContact CB-CG 4.24Å; A339-F392 WeakPolarHBondContact O-CE2 3.49Å |
| 340 | I | 72.7 | Confident | 79.5 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -111.4 | -14.1 | 177.4 | 69 | 164.5 | 0 | 0 | 0 | 114 | V332 Y333 T336 G337 G342 L343 L346 M347 L383 | V332-I340 HydrophobicContact CG1-CD1 4.15Å; Y333-I340 HydrophobicContact CD2-CD1 4.2Å; Y333-I340 HydrophobicContact CD2-CG1 4.44Å; T336-I340 PolarHBondContact O-N 3.42Å; T336-I340 WeakPolarHBondContact OG1-CD1 3.42Å; G337-I340 PolarHBondContact O-N 3.4Å; G337-I340 VanDerWaalsContact O-N 3.17Å; I340-G342 VanDerWaalsContact C-N 3.32Å; I340-G342 PolarHBondContact O-N 3.19Å; I340-L343 PolarHBondContact O-N 3.04Å; I340-L346 HydrophobicContact CB-CD2 3.83Å; I340-L346 HydrophobicContact CG2-CD2 3.67Å; I340-M347 HydrophobicContact CD1-CE 4.35Å; I340-L383 HydrophobicContact CG2-CD2 4.2Å |
| 341 | S | 66.1 | Low | 79.5 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 54% | 0.538 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 79.6 | -177.5 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | G337 | G337-S341 WeakPolarHBondContact O-CB 3.33Å; G337-S341 PolarHBondContact O-N 3.06Å |
| 342 | G | 67.9 | Low | 79.5 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 77% | 0.773 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.6 | -10.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | I340 P344 | I340-G342 VanDerWaalsContact C-N 3.32Å; I340-G342 PolarHBondContact O-N 3.19Å; G342-P344 WeakPolarHBondContact O-CD 3.3Å |
| 343 | L | 77.1 | Confident | 79.6 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | trans | -76.6 | 116 | 180 | -63.2 | 179.1 | 0 | 0 | 0 | 110.8 | I340 L346 H390 F392 | I340-L343 PolarHBondContact O-N 3.04Å; L343-L346 HydrophobicContact CB-CB 4.12Å; L343-L346 HydrophobicContact CB-CD2 4.16Å; L343-L346 HydrophobicContact CD1-CD2 3.81Å; L343-H390 HydrophobicContact CD2-CB 4.43Å; L343-F392 HydrophobicContact CD1-CE2 4.36Å | ||
| 344 | P | 74.8 | Confident | 79.8 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 81% | 0.805 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 145.4 | -179.2 | 29.4 | -34.9 | 0 | 0 | 0 | 111 | G342 L346 | G342-P344 WeakPolarHBondContact O-CD 3.3Å; P344-L346 PolarHBondContact O-N 2.89Å |
| 345 | G | 79.2 | Confident | 80 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | -27.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | M347 E348 T349 | G345-M347 PolarHBondContact O-N 3.37Å; G345-E348 WeakPolarHBondContact O-CA 3.24Å; G345-E348 WeakPolarHBondContact O-CB 3.27Å; G345-E348 PolarHBondContact O-N 2.94Å; G345-T349 PolarHBondContact O-N 3.41Å; G345-T349 PolarHBondContact O-OG1 3.21Å |
| 346 | L | 82.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -48.7 | -176.6 | 175.9 | 62.1 | 0 | 0 | 0 | 112.9 | I340 L343 P344 E348 T349 L350 C386 | I340-L346 HydrophobicContact CB-CD2 3.83Å; I340-L346 HydrophobicContact CG2-CD2 3.67Å; L343-L346 HydrophobicContact CB-CB 4.12Å; L343-L346 HydrophobicContact CB-CD2 4.16Å; L343-L346 HydrophobicContact CD1-CD2 3.81Å; P344-L346 PolarHBondContact O-N 2.89Å; L346-E348 PolarHBondContact O-N 3.26Å; L346-T349 WeakPolarHBondContact O-CB 3.45Å; L346-T349 PolarHBondContact O-N 3.17Å; L346-L350 HydrophobicContact CD1-CD1 3.94Å; L346-L350 HydrophobicContact CD1-CD2 4.32Å; L346-L350 HydrophobicContact CD1-CG 3.95Å; L346-L350 HydrophobicContact CD2-CD1 4.47Å; L346-L350 HydrophobicContact CG-CD1 3.8Å; L346-L350 HydrophobicContact CG-CG 4.29Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 2.64Å; L346-C386 HydrophobicContact CD1-CB 4.12Å |
| 347 | M | 83.1 | Confident | 80.8 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -29.8 | 178.8 | -176.1 | 60.2 | 66.9 | 0 | 0 | 112.6 | L329 Y333 I340 G345 K351 P450 | L329-M347 HydrophobicContact CB-SD 4.43Å; L329-M347 HydrophobicContact CD1-SD 4.49Å; L329-M347 HydrophobicContact CD2-SD 4.05Å; Y333-M347 HydrophobicContact CD2-CE 4.14Å; I340-M347 HydrophobicContact CD1-CE 4.35Å; G345-M347 PolarHBondContact O-N 3.37Å; M347-K351 WeakPolarHBondContact O-CB 3.27Å; M347-K351 PolarHBondContact O-N 3.23Å; M347-P450 HydrophobicContact CG-CB 3.95Å; M347-P450 HydrophobicContact CG-CG 3.82Å; M347-P450 HydrophobicContact SD-CB 4.14Å; M347-P450 HydrophobicContact SD-CG 3.77Å |
| 348 | E | 86.4 | Confident | 81.7 | Confident | 115 Ų | 115 | 53 Ų | 53 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -76.6 | -39.6 | 175.3 | -174.3 | 164.4 | -153.1 | 0 | 0 | 111.5 | G345 L346 K351 N352 | G345-E348 WeakPolarHBondContact O-CA 3.24Å; G345-E348 WeakPolarHBondContact O-CB 3.27Å; G345-E348 PolarHBondContact O-N 2.94Å; L346-E348 PolarHBondContact O-N 3.26Å; E348-K351 WeakPolarHBondContact O-CB 3.28Å; E348-K351 PolarHBondContact O-N 3.4Å; E348-N352 WeakPolarHBondContact O-CB 3.43Å; E348-N352 PolarHBondContact O-N 2.65Å; E348-N352 PolarHBondContact O-ND2 2.84Å |
| 349 | T | 86.5 | Confident | 82.5 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -52.2 | 171.4 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | G345 L346 K351 N352 T353 | G345-T349 PolarHBondContact O-N 3.41Å; G345-T349 PolarHBondContact O-OG1 3.21Å; L346-T349 WeakPolarHBondContact O-CB 3.45Å; L346-T349 PolarHBondContact O-N 3.17Å; T349-K351 VanDerWaalsContact C-N 3.31Å; T349-K351 PolarHBondContact O-N 3.48Å; T349-N352 PolarHBondContact O-N 2.94Å; T349-N352 VanDerWaalsContact O-N 3.08Å; T349-T353 PolarHBondContact O-N 2.88Å |
| 350 | L | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.9 | -62.1 | 164.9 | 0 | 0 | 0 | 110.8 | L329 V332 L346 N352 T353 V354 L379 E382 L383 | L329-L350 HydrophobicContact CD2-CB 4.13Å; V332-L350 HydrophobicContact CG1-CD1 4.17Å; L346-L350 HydrophobicContact CD1-CD1 3.94Å; L346-L350 HydrophobicContact CD1-CD2 4.32Å; L346-L350 HydrophobicContact CD1-CG 3.95Å; L346-L350 HydrophobicContact CD2-CD1 4.47Å; L346-L350 HydrophobicContact CG-CD1 3.8Å; L346-L350 HydrophobicContact CG-CG 4.29Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 2.64Å; L350-N352 PolarHBondContact O-N 3Å; L350-T353 PolarHBondContact O-N 2.91Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 3.24Å; L350-L379 HydrophobicContact CB-CD2 4.13Å; L350-L379 HydrophobicContact CD2-CD2 3.48Å; L350-L379 VanDerWaalsContact CD2-CD2 3.48Å; L350-L379 HydrophobicContact CG-CD2 4.39Å; L350-E382 HydrophobicContact CD2-CB 4.26Å; L350-L383 HydrophobicContact CD1-CD2 4.17Å; L350-L383 HydrophobicContact CD2-CD2 4.14Å; L350-L383 HydrophobicContact CD2-CG 4.25Å |
| 351 | K | 90.8 | Very high | 83.7 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 173.7 | 175.4 | -174.2 | 177.1 | 179.3 | 0 | 111.6 | L325 L329 M347 E348 T349 V354 S355 P450 E454 | L325-K351 HydrophobicContact CD1-CG 4.34Å; L325-K351 HydrophobicContact CD2-CG 4.3Å; L329-K351 HydrophobicContact CD1-CB 4.04Å; L329-K351 HydrophobicContact CD1-CG 4.3Å; M347-K351 WeakPolarHBondContact O-CB 3.27Å; M347-K351 PolarHBondContact O-N 3.23Å; E348-K351 WeakPolarHBondContact O-CB 3.28Å; E348-K351 PolarHBondContact O-N 3.4Å; T349-K351 VanDerWaalsContact C-N 3.31Å; T349-K351 PolarHBondContact O-N 3.48Å; K351-V354 PolarHBondContact O-N 3.49Å; K351-S355 WeakPolarHBondContact O-CB 3.45Å; K351-S355 PolarHBondContact O-N 2.98Å; K351-S355 PolarHBondContact O-OG 3.47Å; K351-P450 WeakPolarHBondContact CD-O 3.21Å; K351-P450 WeakPolarHBondContact CE-O 3.41Å; K351-P450 PolarHBondContact NZ-O 3.42Å; K351-E454 IonicContact NZ-OE1 3.88Å; K351-E454 PolarHBondContact NZ-OE1 3.18Å; K351-E454 IonicContact NZ-OE2 3.32Å; K351-E454 PolarHBondContact NZ-OE2 2.99Å |
| 352 | N | 90.9 | Very high | 84.1 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | -179.3 | -68.5 | -20.8 | 0 | 0 | 0 | 111.4 | E348 T349 L350 S355 A356 | E348-N352 WeakPolarHBondContact O-CB 3.43Å; E348-N352 PolarHBondContact O-N 2.65Å; E348-N352 PolarHBondContact O-ND2 2.84Å; T349-N352 PolarHBondContact O-N 2.94Å; T349-N352 VanDerWaalsContact O-N 3.08Å; L350-N352 PolarHBondContact O-N 3Å; N352-S355 PolarHBondContact O-N 3.25Å; N352-A356 WeakPolarHBondContact O-CB 3.36Å; N352-A356 PolarHBondContact O-N 3.01Å |
| 353 | T | 88.9 | Confident | 84.8 | Confident | 27 Ų | 27 | 56 Ų | 56 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.9 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | T349 L350 M357 K378 E382 | T349-T353 PolarHBondContact O-N 2.88Å; L350-T353 PolarHBondContact O-N 2.91Å; T353-M357 VanDerWaalsContact O-CG 3.3Å; T353-M357 WeakPolarHBondContact O-CG 3.26Å; T353-M357 PolarHBondContact O-N 2.85Å; T353-K378 HydrophobicContact CG2-CB 3.96Å; T353-K378 HydrophobicContact CG2-CD 4.19Å; T353-E382 WeakPolarHBondContact CB-OE1 3.36Å; T353-E382 VanDerWaalsContact CG2-OE1 3.28Å; T353-E382 WeakPolarHBondContact CG2-OE1 3.37Å; T353-E382 PolarHBondContact OG1-OE1 2.91Å; T353-E382 PolarHBondContact OG1-OE2 2.93Å |
| 354 | V | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L325 V328 L350 K351 A356 M357 L358 I375 L379 | L325-V354 HydrophobicContact CD1-CB 3.66Å; L325-V354 HydrophobicContact CD1-CG1 3.47Å; L325-V354 VanDerWaalsContact CD1-CG1 3.47Å; V328-V354 HydrophobicContact CB-CG1 4.23Å; V328-V354 HydrophobicContact CB-CG2 4.44Å; V328-V354 HydrophobicContact CG1-CG1 4.24Å; V328-V354 HydrophobicContact CG1-CG2 3.66Å; V328-V354 HydrophobicContact CG2-CG1 4.37Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 3.24Å; K351-V354 PolarHBondContact O-N 3.49Å; V354-A356 PolarHBondContact O-N 2.95Å; V354-M357 PolarHBondContact O-N 3.02Å; V354-M357 VanDerWaalsContact O-N 3.16Å; V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.35Å; V354-L358 WeakPolarHBondContact O-CG 3.28Å; V354-L358 PolarHBondContact O-N 3.44Å; V354-I375 HydrophobicContact CG1-CD1 4.33Å; V354-I375 HydrophobicContact CG2-CG2 3.99Å; V354-L379 HydrophobicContact CG2-CD1 3.98Å; V354-L379 HydrophobicContact CG2-CD2 4.13Å; V354-L379 HydrophobicContact CG2-CG 4.47Å |
| 355 | S | 90.6 | Very high | 84.9 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | -179.5 | -63 | 0 | 0 | 0 | 0 | 112.2 | K351 N352 M357 L358 T359 | K351-S355 WeakPolarHBondContact O-CB 3.45Å; K351-S355 PolarHBondContact O-N 2.98Å; K351-S355 PolarHBondContact O-OG 3.47Å; N352-S355 PolarHBondContact O-N 3.25Å; S355-M357 VanDerWaalsContact C-N 3.26Å; S355-M357 PolarHBondContact O-N 3.38Å; S355-L358 CarbonylContact O-C 3.56Å; S355-L358 PolarHBondContact O-N 3.23Å; S355-L358 VanDerWaalsContact O-N 3.09Å; S355-T359 PolarHBondContact O-N 2.8Å; S355-T359 VanDerWaalsContact O-N 3.11Å; S355-T359 PolarHBondContact O-OG1 3.27Å |
| 356 | A | 89.1 | Confident | 85.2 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -28.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N352 V354 T359 | N352-A356 WeakPolarHBondContact O-CB 3.36Å; N352-A356 PolarHBondContact O-N 3.01Å; V354-A356 PolarHBondContact O-N 2.95Å; A356-T359 WeakPolarHBondContact CA-OG1 3.46Å; A356-T359 PolarHBondContact O-OG1 3.43Å |
| 357 | M | 88.1 | Confident | 85.5 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 26% | 0.261 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.1 | -5.7 | 176.1 | -59.3 | -68.7 | 85.3 | 0 | 0 | 113.4 | T353 V354 S355 F366 T374 I375 K378 | T353-M357 VanDerWaalsContact O-CG 3.3Å; T353-M357 WeakPolarHBondContact O-CG 3.26Å; T353-M357 PolarHBondContact O-N 2.85Å; V354-M357 PolarHBondContact O-N 3.02Å; V354-M357 VanDerWaalsContact O-N 3.16Å; S355-M357 VanDerWaalsContact C-N 3.26Å; S355-M357 PolarHBondContact O-N 3.38Å; M357-F366 WeakPolarHBondContact O-CE2 3.31Å; M357-F366 WeakPolarHBondContact O-CZ 3.45Å; M357-T374 HydrophobicContact SD-CG2 4Å; M357-I375 HydrophobicContact CB-CD1 3.76Å; M357-I375 HydrophobicContact CB-CG1 3.51Å; M357-I375 HydrophobicContact CG-CG1 3.94Å; M357-K378 HydrophobicContact SD-CD 4.26Å; M357-K378 PolarHBondContact SD-NZ 2.99Å |
| 358 | L | 88.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -115 | 3.4 | 176.4 | -62.9 | -178.4 | 0 | 0 | 0 | 113 | L324 V354 S355 E360 M361 F366 M368 I375 | L324-L358 HydrophobicContact CB-CD1 4.17Å; V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.35Å; V354-L358 WeakPolarHBondContact O-CG 3.28Å; V354-L358 PolarHBondContact O-N 3.44Å; S355-L358 CarbonylContact O-C 3.56Å; S355-L358 PolarHBondContact O-N 3.23Å; S355-L358 VanDerWaalsContact O-N 3.09Å; L358-E360 PolarHBondContact O-N 2.99Å; L358-M361 VanDerWaalsContact O-CB 3.27Å; L358-M361 WeakPolarHBondContact O-CB 3.31Å; L358-M361 PolarHBondContact O-N 3.04Å; L358-F366 HydrophobicContact CD2-CZ 4.18Å; L358-M368 HydrophobicContact CD2-CE 3.61Å; L358-I375 HydrophobicContact CD2-CD1 3.9Å; L358-I375 HydrophobicContact CG-CD1 4.08Å |
| 359 | T | 83.8 | Confident | 85.7 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 53% | 0.534 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -43 | -177.2 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | S355 A356 M361 H362 | S355-T359 PolarHBondContact O-N 2.8Å; S355-T359 VanDerWaalsContact O-N 3.11Å; S355-T359 PolarHBondContact O-OG1 3.27Å; A356-T359 WeakPolarHBondContact CA-OG1 3.46Å; A356-T359 PolarHBondContact O-OG1 3.43Å; T359-M361 VanDerWaalsContact C-N 3.3Å; T359-M361 PolarHBondContact O-N 3.34Å; T359-H362 PolarHBondContact O-CE1 3.46Å; T359-H362 VanDerWaalsContact O-CE1 3.24Å; T359-H362 PolarHBondContact O-ND1 3.21Å; T359-H362 VanDerWaalsContact O-ND1 3.13Å |
| 360 | E | 82.3 | Confident | 85.9 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 13.1 | -176 | -63.9 | -178.3 | -174.5 | 0 | 0 | 113.7 | L358 H362 M363 F366 | L358-E360 PolarHBondContact O-N 2.99Å; E360-H362 PolarHBondContact O-N 3.38Å; E360-M363 HydrophobicContact CB-CG 4.36Å; E360-M363 WeakPolarHBondContact O-CB 3.4Å; E360-M363 PolarHBondContact O-N 3.08Å; E360-F366 HydrophobicContact CB-CD2 3.99Å; E360-F366 WeakPolarHBondContact O-CB 3.35Å |
| 361 | M | 82.1 | Confident | 86 | Confident | 43 Ų | 43 | 65 Ų | 65 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.3 | -176.9 | -170.9 | -166.9 | 73.9 | 0 | 0 | 114.5 | K320 W321 L324 L358 T359 F366 M368 | K320-M361 HydrophobicContact CB-CE 4.17Å; W321-M361 HydrophobicContact CB-CE 3.84Å; L324-M361 HydrophobicContact CD1-SD 3.43Å; L324-M361 WeakPolarHBondContact CD1-SD 3.41Å; L358-M361 VanDerWaalsContact O-CB 3.27Å; L358-M361 WeakPolarHBondContact O-CB 3.31Å; L358-M361 PolarHBondContact O-N 3.04Å; T359-M361 VanDerWaalsContact C-N 3.3Å; T359-M361 PolarHBondContact O-N 3.34Å; M361-F366 HydrophobicContact CB-CD1 4.22Å; M361-F366 HydrophobicContact CB-CE1 4.01Å; M361-F366 HydrophobicContact CB-CZ 4.28Å; M361-F366 HydrophobicContact CG-CD1 4.21Å; M361-F366 HydrophobicContact CG-CE1 3.97Å; M361-M368 HydrophobicContact CG-SD 4.49Å |
| 362 | H | 75.4 | Confident | 86 | Confident | 110 Ų | 110 | 64.3 Ų | 64.3 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.4 | 176.1 | 60.2 | -88.3 | 0 | 0 | 0 | 113.9 | Q317 T359 E360 | Q317-H362 VanDerWaalsContact OE1-CB 3.25Å; T359-H362 PolarHBondContact O-CE1 3.46Å; T359-H362 VanDerWaalsContact O-CE1 3.24Å; T359-H362 PolarHBondContact O-ND1 3.21Å; T359-H362 VanDerWaalsContact O-ND1 3.13Å; E360-H362 PolarHBondContact O-N 3.38Å |
| 363 | M | 81.6 | Confident | 86 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -89 | 137.9 | -175.4 | -64.9 | -61.3 | -73.2 | 0 | 0 | 112 | E360 S365 F366 | E360-M363 HydrophobicContact CB-CG 4.36Å; E360-M363 WeakPolarHBondContact O-CB 3.4Å; E360-M363 PolarHBondContact O-N 3.08Å; M363-S365 PolarHBondContact O-N 2.93Å; M363-F366 VanDerWaalsContact O-CB 3.28Å; M363-F366 WeakPolarHBondContact O-CB 3.42Å; M363-F366 PolarHBondContact O-N 2.83Å |
| 364 | P | 75.3 | Confident | 86.1 | Confident | 138 Ų | 138 | 63.6 Ų | 63.6 | 90% | 0.896 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.8 | 179.9 | -26.2 | 35.1 | 0 | 0 | 0 | 115.6 | ||
| 365 | S | 79.5 | Confident | 86.2 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 70% | 0.699 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.1 | 177 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | M363 S367 | M363-S365 PolarHBondContact O-N 2.93Å; S365-S367 PolarHBondContact O-N 3.16Å |
| 366 | F | 85.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | trans | -80.2 | 108.7 | -170.9 | -175.5 | -95.7 | 0 | 0 | 0 | 113.2 | M357 L358 E360 M361 M363 M368 A371 | M357-F366 WeakPolarHBondContact O-CE2 3.31Å; M357-F366 WeakPolarHBondContact O-CZ 3.45Å; L358-F366 HydrophobicContact CD2-CZ 4.18Å; E360-F366 HydrophobicContact CB-CD2 3.99Å; E360-F366 WeakPolarHBondContact O-CB 3.35Å; M361-F366 HydrophobicContact CB-CD1 4.22Å; M361-F366 HydrophobicContact CB-CE1 4.01Å; M361-F366 HydrophobicContact CB-CZ 4.28Å; M361-F366 HydrophobicContact CG-CD1 4.21Å; M361-F366 HydrophobicContact CG-CE1 3.97Å; M363-F366 VanDerWaalsContact O-CB 3.28Å; M363-F366 WeakPolarHBondContact O-CB 3.42Å; M363-F366 PolarHBondContact O-N 2.83Å; F366-M368 HydrophobicContact CD1-CB 4.49Å; F366-M368 HydrophobicContact CE1-CB 4.27Å; F366-M368 HydrophobicContact CE1-SD 3.92Å; F366-M368 PolarHBondContact O-N 2.98Å; F366-A371 HydrophobicContact CE1-CB 4.05Å; F366-A371 HydrophobicContact CE2-CB 4.08Å; F366-A371 HydrophobicContact CZ-CB 3.45Å; F366-A371 VanDerWaalsContact CZ-CB 3.45Å | ||
| 367 | S | 87.8 | Confident | 86.2 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | trans | -80 | 94.9 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | S365 Q369 E370 A371 | S365-S367 PolarHBondContact O-N 3.16Å; S367-Q369 PolarHBondContact O-N 3.41Å; S367-Q369 VanDerWaalsContact O-N 3.14Å; S367-E370 VanDerWaalsContact CB-CD 3.45Å; S367-E370 WeakPolarHBondContact CB-OE1 3.33Å; S367-E370 PolarHBondContact O-N 3.44Å; S367-E370 WeakPolarHBondContact OG-CG 3.45Å; S367-E370 PolarHBondContact OG-N 2.97Å; S367-E370 PolarHBondContact OG-OE1 3.03Å; S367-A371 WeakPolarHBondContact O-CB 3.47Å; S367-A371 PolarHBondContact O-N 3.49Å | ||
| 368 | M | 86.5 | Confident | 86.3 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.1 | -31.5 | 175.3 | -171.6 | 79.7 | -125.9 | 0 | 0 | 112.6 | L324 L358 M361 F366 L372 I411 | L324-M368 HydrophobicContact CD1-CE 4Å; L324-M368 HydrophobicContact CD1-SD 3.97Å; L324-M368 HydrophobicContact CD2-CE 4.32Å; L358-M368 HydrophobicContact CD2-CE 3.61Å; M361-M368 HydrophobicContact CG-SD 4.49Å; F366-M368 HydrophobicContact CD1-CB 4.49Å; F366-M368 HydrophobicContact CE1-CB 4.27Å; F366-M368 HydrophobicContact CE1-SD 3.92Å; F366-M368 PolarHBondContact O-N 2.98Å; M368-L372 HydrophobicContact CE-CD1 3.92Å; M368-L372 HydrophobicContact CE-CD2 3.84Å; M368-L372 HydrophobicContact CE-CG 3.62Å; M368-L372 HydrophobicContact CG-CD1 4.24Å; M368-L372 WeakPolarHBondContact O-CB 3.19Å; M368-L372 VanDerWaalsContact O-CG 3.31Å; M368-L372 WeakPolarHBondContact O-CG 3.39Å; M368-L372 PolarHBondContact O-N 3.43Å; M368-I411 HydrophobicContact CB-CD1 4.29Å; M368-I411 HydrophobicContact CG-CD1 4.32Å; M368-I411 HydrophobicContact CG-CG1 4.15Å |
| 369 | Q | 88.7 | Confident | 86.3 | Confident | 144 Ų | 144 | 66.6 Ų | 66.6 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.2 | -46.6 | 178.9 | -176.3 | 173 | -16.9 | 0 | 0 | 112 | S367 L372 A373 I411 | S367-Q369 PolarHBondContact O-N 3.41Å; S367-Q369 VanDerWaalsContact O-N 3.14Å; Q369-L372 PolarHBondContact O-N 2.83Å; Q369-A373 WeakPolarHBondContact O-CB 3.35Å; Q369-A373 PolarHBondContact O-N 2.79Å; Q369-I411 HydrophobicContact CB-CD1 3.84Å |
| 370 | E | 89.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 62.8 Ų | 62.8 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.4 | -36.5 | 176.8 | -72.9 | 153.1 | -118.9 | 0 | 0 | 111.9 | S367 A373 T374 | S367-E370 VanDerWaalsContact CB-CD 3.45Å; S367-E370 WeakPolarHBondContact CB-OE1 3.33Å; S367-E370 PolarHBondContact O-N 3.44Å; S367-E370 WeakPolarHBondContact OG-CG 3.45Å; S367-E370 PolarHBondContact OG-N 2.97Å; S367-E370 PolarHBondContact OG-OE1 3.03Å; E370-A373 PolarHBondContact O-N 3.43Å; E370-T374 VanDerWaalsContact O-CB 3.24Å; E370-T374 WeakPolarHBondContact O-CB 3.49Å; E370-T374 PolarHBondContact O-N 3.06Å; E370-T374 PolarHBondContact O-OG1 2.93Å |
| 371 | A | 90.3 | Very high | 86.8 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F366 S367 A373 T374 I375 | F366-A371 HydrophobicContact CE1-CB 4.05Å; F366-A371 HydrophobicContact CE2-CB 4.08Å; F366-A371 HydrophobicContact CZ-CB 3.45Å; F366-A371 VanDerWaalsContact CZ-CB 3.45Å; S367-A371 WeakPolarHBondContact O-CB 3.47Å; S367-A371 PolarHBondContact O-N 3.49Å; A371-A373 PolarHBondContact O-N 2.98Å; A371-T374 PolarHBondContact O-N 3.41Å; A371-I375 WeakPolarHBondContact O-CB 3.29Å; A371-I375 WeakPolarHBondContact O-CD1 3.42Å; A371-I375 WeakPolarHBondContact O-CG1 3.48Å; A371-I375 PolarHBondContact O-N 3.38Å |
| 372 | L | 91 | Very high | 87.1 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 177.8 | -73.6 | 171.3 | 0 | 0 | 0 | 112.8 | V328 M368 Q369 G376 I407 I410 I411 | V328-L372 HydrophobicContact CG2-CD2 4.34Å; M368-L372 HydrophobicContact CE-CD1 3.92Å; M368-L372 HydrophobicContact CE-CD2 3.84Å; M368-L372 HydrophobicContact CE-CG 3.62Å; M368-L372 HydrophobicContact CG-CD1 4.24Å; M368-L372 WeakPolarHBondContact O-CB 3.19Å; M368-L372 VanDerWaalsContact O-CG 3.31Å; M368-L372 WeakPolarHBondContact O-CG 3.39Å; M368-L372 PolarHBondContact O-N 3.43Å; Q369-L372 PolarHBondContact O-N 2.83Å; L372-G376 PolarHBondContact O-N 3.28Å; L372-I407 HydrophobicContact CB-CG2 4.25Å; L372-I407 HydrophobicContact CD2-CG2 3.9Å; L372-I407 WeakPolarHBondContact O-CG2 3.48Å; L372-I410 HydrophobicContact CD1-CB 4.36Å; L372-I410 HydrophobicContact CD2-CB 4.43Å; L372-I411 HydrophobicContact CD1-CB 3.82Å; L372-I411 HydrophobicContact CD1-CG1 4.47Å |
| 373 | A | 90.8 | Very high | 87.6 | Confident | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q369 E370 A371 I375 G376 E377 | Q369-A373 WeakPolarHBondContact O-CB 3.35Å; Q369-A373 PolarHBondContact O-N 2.79Å; E370-A373 PolarHBondContact O-N 3.43Å; A371-A373 PolarHBondContact O-N 2.98Å; A373-I375 PolarHBondContact O-N 2.96Å; A373-G376 PolarHBondContact O-N 2.99Å; A373-G376 VanDerWaalsContact O-N 3.15Å; A373-E377 WeakPolarHBondContact O-CG 3.19Å; A373-E377 PolarHBondContact O-N 3.31Å |
| 374 | T | 91.2 | Very high | 87.8 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | M357 E370 A371 E377 K378 | M357-T374 HydrophobicContact SD-CG2 4Å; E370-T374 VanDerWaalsContact O-CB 3.24Å; E370-T374 WeakPolarHBondContact O-CB 3.49Å; E370-T374 PolarHBondContact O-N 3.06Å; E370-T374 PolarHBondContact O-OG1 2.93Å; A371-T374 PolarHBondContact O-N 3.41Å; T374-E377 PolarHBondContact O-N 2.94Å; T374-K378 HydrophobicContact CG2-CD 4.19Å; T374-K378 WeakPolarHBondContact O-CG 3.24Å; T374-K378 PolarHBondContact O-N 3.11Å |
| 375 | I | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 171.3 | -74.1 | 162.6 | 0 | 0 | 0 | 109.9 | V328 V354 M357 L358 A371 A373 E377 K378 L379 I407 | V328-I375 HydrophobicContact CG1-CG2 3.87Å; V354-I375 HydrophobicContact CG1-CD1 4.33Å; V354-I375 HydrophobicContact CG2-CG2 3.99Å; M357-I375 HydrophobicContact CB-CD1 3.76Å; M357-I375 HydrophobicContact CB-CG1 3.51Å; M357-I375 HydrophobicContact CG-CG1 3.94Å; L358-I375 HydrophobicContact CD2-CD1 3.9Å; L358-I375 HydrophobicContact CG-CD1 4.08Å; A371-I375 WeakPolarHBondContact O-CB 3.29Å; A371-I375 WeakPolarHBondContact O-CD1 3.42Å; A371-I375 WeakPolarHBondContact O-CG1 3.48Å; A371-I375 PolarHBondContact O-N 3.38Å; A373-I375 PolarHBondContact O-N 2.96Å; I375-E377 VanDerWaalsContact C-N 3.28Å; I375-E377 PolarHBondContact O-N 3.47Å; I375-K378 PolarHBondContact O-N 3.28Å; I375-L379 HydrophobicContact CG2-CD1 3.49Å; I375-L379 VanDerWaalsContact CG2-CD1 3.49Å; I375-L379 HydrophobicContact CG2-CG 4.22Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 WeakPolarHBondContact O-CG 3.38Å; I375-L379 PolarHBondContact O-N 3.49Å; I375-I407 HydrophobicContact CG2-CG2 4.17Å |
| 376 | G | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L372 A373 C380 | L372-G376 PolarHBondContact O-N 3.28Å; A373-G376 PolarHBondContact O-N 2.99Å; A373-G376 VanDerWaalsContact O-N 3.15Å; G376-C380 WeakPolarHBondContact O-CB 2.93Å; G376-C380 PolarHBondContact O-N 3.19Å; G376-C380 PolarHBondContact O-SG 3.05Å |
| 377 | E | 90.8 | Very high | 88.2 | Confident | 111 Ų | 111 | 46.6 Ų | 46.6 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -54.6 | 173.6 | -57.8 | -114.3 | 117.4 | 0 | 0 | 111.8 | A373 T374 I375 L379 C380 V381 K404 | A373-E377 WeakPolarHBondContact O-CG 3.19Å; A373-E377 PolarHBondContact O-N 3.31Å; T374-E377 PolarHBondContact O-N 2.94Å; I375-E377 VanDerWaalsContact C-N 3.28Å; I375-E377 PolarHBondContact O-N 3.47Å; E377-L379 PolarHBondContact O-N 2.91Å; E377-C380 WeakPolarHBondContact O-CB 3.18Å; E377-C380 PolarHBondContact O-N 2.66Å; E377-V381 PolarHBondContact O-N 3.32Å; E377-K404 WeakPolarHBondContact OE1-CE 3.42Å; E377-K404 IonicContact OE1-NZ 2.65Å; E377-K404 PolarHBondContact OE1-NZ 3.19Å |
| 378 | K | 89.7 | Confident | 88 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | -176.9 | -72.2 | 179.7 | 177.9 | -178 | 0 | 112.1 | T353 M357 T374 I375 C380 V381 E382 | T353-K378 HydrophobicContact CG2-CB 3.96Å; T353-K378 HydrophobicContact CG2-CD 4.19Å; M357-K378 HydrophobicContact SD-CD 4.26Å; M357-K378 PolarHBondContact SD-NZ 2.99Å; T374-K378 HydrophobicContact CG2-CD 4.19Å; T374-K378 WeakPolarHBondContact O-CG 3.24Å; T374-K378 PolarHBondContact O-N 3.11Å; I375-K378 PolarHBondContact O-N 3.28Å; K378-C380 VanDerWaalsContact C-N 3.3Å; K378-C380 PolarHBondContact O-N 2.93Å; K378-V381 WeakPolarHBondContact O-CB 3.23Å; K378-V381 PolarHBondContact O-N 3.24Å; K378-E382 WeakPolarHBondContact O-CG 3.46Å; K378-E382 PolarHBondContact O-N 3.33Å |
| 379 | L | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -37 | 177.3 | -65.1 | 170.9 | 0 | 0 | 0 | 111.8 | V328 V332 L350 V354 I375 E377 V381 E382 L383 I407 | V328-L379 HydrophobicContact CG1-CD1 3.58Å; V332-L379 HydrophobicContact CG2-CD1 3.92Å; L350-L379 HydrophobicContact CB-CD2 4.13Å; L350-L379 HydrophobicContact CD2-CD2 3.48Å; L350-L379 VanDerWaalsContact CD2-CD2 3.48Å; L350-L379 HydrophobicContact CG-CD2 4.39Å; V354-L379 HydrophobicContact CG2-CD1 3.98Å; V354-L379 HydrophobicContact CG2-CD2 4.13Å; V354-L379 HydrophobicContact CG2-CG 4.47Å; I375-L379 HydrophobicContact CG2-CD1 3.49Å; I375-L379 VanDerWaalsContact CG2-CD1 3.49Å; I375-L379 HydrophobicContact CG2-CG 4.22Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 WeakPolarHBondContact O-CG 3.38Å; I375-L379 PolarHBondContact O-N 3.49Å; E377-L379 PolarHBondContact O-N 2.91Å; L379-V381 VanDerWaalsContact C-N 3.28Å; L379-V381 PolarHBondContact O-N 2.87Å; L379-E382 PolarHBondContact O-N 2.98Å; L379-L383 VanDerWaalsContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CB 3.25Å; L379-L383 WeakPolarHBondContact O-CD1 3.47Å; L379-L383 WeakPolarHBondContact O-CG 3.42Å; L379-L383 PolarHBondContact O-N 3.41Å; L379-I407 HydrophobicContact CD1-CD1 3.78Å |
| 380 | C | 88.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 173.7 | -76.2 | 0 | 0 | 0 | 0 | 113 | G376 E377 K378 S384 K400 | G376-C380 WeakPolarHBondContact O-CB 2.93Å; G376-C380 PolarHBondContact O-N 3.19Å; G376-C380 PolarHBondContact O-SG 3.05Å; E377-C380 WeakPolarHBondContact O-CB 3.18Å; E377-C380 PolarHBondContact O-N 2.66Å; K378-C380 VanDerWaalsContact C-N 3.3Å; K378-C380 PolarHBondContact O-N 2.93Å; C380-S384 WeakPolarHBondContact O-CB 3.32Å; C380-S384 PolarHBondContact O-N 3.36Å; C380-S384 PolarHBondContact O-OG 3.39Å; C380-K400 HydrophobicContact CB-CG 4.17Å |
| 381 | V | 87.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 62% | 0.618 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -75 | -51 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | E377 K378 L379 L383 S384 H385 | E377-V381 PolarHBondContact O-N 3.32Å; K378-V381 WeakPolarHBondContact O-CB 3.23Å; K378-V381 PolarHBondContact O-N 3.24Å; L379-V381 VanDerWaalsContact C-N 3.28Å; L379-V381 PolarHBondContact O-N 2.87Å; V381-L383 PolarHBondContact O-N 3.33Å; V381-S384 PolarHBondContact O-N 3.17Å; V381-H385 WeakPolarHBondContact O-CB 2.83Å; V381-H385 PolarHBondContact O-N 3.08Å |
| 382 | E | 86.3 | Confident | 86.1 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.7 | -45.8 | -179.9 | -71.8 | 173.8 | -174.8 | 0 | 0 | 112.1 | L350 T353 K378 L379 H385 C386 | L350-E382 HydrophobicContact CD2-CB 4.26Å; T353-E382 WeakPolarHBondContact CB-OE1 3.36Å; T353-E382 VanDerWaalsContact CG2-OE1 3.28Å; T353-E382 WeakPolarHBondContact CG2-OE1 3.37Å; T353-E382 PolarHBondContact OG1-OE1 2.91Å; T353-E382 PolarHBondContact OG1-OE2 2.93Å; K378-E382 WeakPolarHBondContact O-CG 3.46Å; K378-E382 PolarHBondContact O-N 3.33Å; L379-E382 PolarHBondContact O-N 2.98Å; E382-H385 PolarHBondContact O-N 2.68Å; E382-C386 VanDerWaalsContact O-CB 3.3Å; E382-C386 WeakPolarHBondContact O-CB 3.35Å; E382-C386 PolarHBondContact O-N 3.45Å |
| 383 | L | 86.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.8 | -67.3 | 166.3 | 0 | 0 | 0 | 111.6 | V332 T336 I340 L350 L379 V381 H385 C386 L387 F395 L403 | V332-L383 HydrophobicContact CG1-CD1 3.95Å; V332-L383 HydrophobicContact CG1-CD2 4.08Å; T336-L383 HydrophobicContact CG2-CD1 4.25Å; I340-L383 HydrophobicContact CG2-CD2 4.2Å; L350-L383 HydrophobicContact CD1-CD2 4.17Å; L350-L383 HydrophobicContact CD2-CD2 4.14Å; L350-L383 HydrophobicContact CD2-CG 4.25Å; L379-L383 VanDerWaalsContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CB 3.25Å; L379-L383 WeakPolarHBondContact O-CD1 3.47Å; L379-L383 WeakPolarHBondContact O-CG 3.42Å; L379-L383 PolarHBondContact O-N 3.41Å; V381-L383 PolarHBondContact O-N 3.33Å; L383-H385 PolarHBondContact O-N 3.02Å; L383-C386 PolarHBondContact O-N 3.23Å; L383-L387 VanDerWaalsContact O-CB 3.32Å; L383-L387 WeakPolarHBondContact O-CB 3.5Å; L383-L387 WeakPolarHBondContact O-CD1 3.4Å; L383-L387 WeakPolarHBondContact O-CG 3.39Å; L383-L387 PolarHBondContact O-N 2.72Å; L383-F395 HydrophobicContact CB-CD1 4.35Å; L383-F395 HydrophobicContact CD1-CE1 4.39Å; L383-L403 HydrophobicContact CD1-CD2 3.65Å |
| 384 | S | 85.3 | Confident | 84.5 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 112 | C380 V381 S388 K400 | C380-S384 WeakPolarHBondContact O-CB 3.32Å; C380-S384 PolarHBondContact O-N 3.36Å; C380-S384 PolarHBondContact O-OG 3.39Å; V381-S384 PolarHBondContact O-N 3.17Å; S384-S388 WeakPolarHBondContact O-CB 3.38Å; S384-S388 PolarHBondContact O-N 3.23Å; S384-S388 VanDerWaalsContact O-N 3.11Å; S384-S388 PolarHBondContact O-OG 3.42Å; S384-K400 WeakPolarHBondContact OG-CE 3.2Å; S384-K400 PolarHBondContact OG-NZ 3.28Å |
| 385 | H | 85.8 | Confident | 84 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -51.8 | 178.1 | 178.9 | -100.7 | 0 | 0 | 0 | 110.7 | V381 E382 L383 L387 S388 Q389 | V381-H385 WeakPolarHBondContact O-CB 2.83Å; V381-H385 PolarHBondContact O-N 3.08Å; E382-H385 PolarHBondContact O-N 2.68Å; L383-H385 PolarHBondContact O-N 3.02Å; H385-L387 PolarHBondContact O-N 2.85Å; H385-S388 PolarHBondContact O-N 2.94Å; H385-S388 VanDerWaalsContact O-N 3.15Å; H385-S388 PolarHBondContact O-OG 3.49Å; H385-Q389 PolarHBondContact CE1-NE2 2.95Å; H385-Q389 VanDerWaalsContact CE1-NE2 3.27Å; H385-Q389 PolarHBondContact CE1-OE1 3.37Å; H385-Q389 PolarHBondContact ND1-OE1 3.24Å; H385-Q389 WeakPolarHBondContact O-CG 3.45Å; H385-Q389 PolarHBondContact O-N 2.75Å |
| 386 | C | 82.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | -179.4 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | L346 E382 L383 S388 Q389 H390 | L346-C386 HydrophobicContact CD1-CB 4.12Å; E382-C386 VanDerWaalsContact O-CB 3.3Å; E382-C386 WeakPolarHBondContact O-CB 3.35Å; E382-C386 PolarHBondContact O-N 3.45Å; L383-C386 PolarHBondContact O-N 3.23Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.33Å; C386-Q389 PolarHBondContact O-N 3.48Å; C386-H390 PolarHBondContact O-CD2 2.97Å; C386-H390 VanDerWaalsContact O-CD2 3.28Å; C386-H390 PolarHBondContact O-N 3.23Å; C386-H390 VanDerWaalsContact O-N 3.11Å |
| 387 | L | 81.9 | Confident | 83.4 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.9 | -70.5 | 165.3 | 0 | 0 | 0 | 111.6 | A339 L383 H385 H390 G391 F392 F395 | A339-L387 HydrophobicContact CB-CD2 3.52Å; L383-L387 VanDerWaalsContact O-CB 3.32Å; L383-L387 WeakPolarHBondContact O-CB 3.5Å; L383-L387 WeakPolarHBondContact O-CD1 3.4Å; L383-L387 WeakPolarHBondContact O-CG 3.39Å; L383-L387 PolarHBondContact O-N 2.72Å; H385-L387 PolarHBondContact O-N 2.85Å; L387-H390 PolarHBondContact O-N 3.33Å; L387-G391 PolarHBondContact O-N 2.87Å; L387-F392 HydrophobicContact CB-CB 4.17Å; L387-F392 HydrophobicContact CD2-CB 3.59Å; L387-F392 HydrophobicContact CD2-CD2 3.93Å; L387-F392 HydrophobicContact CD2-CG 3.94Å; L387-F392 HydrophobicContact CG-CB 4.49Å; L387-F392 PolarHBondContact O-N 3.5Å; L387-F395 HydrophobicContact CD1-CB 3.82Å; L387-F395 HydrophobicContact CD1-CD2 4.31Å; L387-F395 HydrophobicContact CD1-CG 4.23Å |
| 388 | S | 83.2 | Confident | 83.1 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 57% | 0.566 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.6 | -35.6 | 175.9 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | S384 H385 C386 G391 | S384-S388 WeakPolarHBondContact O-CB 3.38Å; S384-S388 PolarHBondContact O-N 3.23Å; S384-S388 VanDerWaalsContact O-N 3.11Å; S384-S388 PolarHBondContact O-OG 3.42Å; H385-S388 PolarHBondContact O-N 2.94Å; H385-S388 VanDerWaalsContact O-N 3.15Å; H385-S388 PolarHBondContact O-OG 3.49Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.33Å; S388-G391 PolarHBondContact O-N 3.06Å |
| 389 | Q | 84.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.7 | -31.6 | 177.6 | -73 | -173.5 | -51.2 | 0 | 0 | 112.9 | H385 C386 | H385-Q389 PolarHBondContact CE1-NE2 2.95Å; H385-Q389 VanDerWaalsContact CE1-NE2 3.27Å; H385-Q389 PolarHBondContact CE1-OE1 3.37Å; H385-Q389 PolarHBondContact ND1-OE1 3.24Å; H385-Q389 WeakPolarHBondContact O-CG 3.45Å; H385-Q389 PolarHBondContact O-N 2.75Å; C386-Q389 PolarHBondContact O-N 3.48Å |
| 390 | H | 78.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.4 | 179.3 | -66.2 | -66.2 | 0 | 0 | 0 | 114.1 | L343 C386 L387 F392 | L343-H390 HydrophobicContact CD2-CB 4.43Å; C386-H390 PolarHBondContact O-CD2 2.97Å; C386-H390 VanDerWaalsContact O-CD2 3.28Å; C386-H390 PolarHBondContact O-N 3.23Å; C386-H390 VanDerWaalsContact O-N 3.11Å; L387-H390 PolarHBondContact O-N 3.33Å; H390-F392 VanDerWaalsContact C-N 3.33Å; H390-F392 HydrophobicContact CB-CD2 3.68Å; H390-F392 HydrophobicContact CB-CE2 3.67Å; H390-F392 PolarHBondContact O-N 3.02Å |
| 391 | G | 73.2 | Confident | 82.7 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 17.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L387 S388 | L387-G391 PolarHBondContact O-N 2.87Å; S388-G391 PolarHBondContact O-N 3.06Å |
| 392 | F | 78.9 | Confident | 82.8 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 40% | 0.395 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 167.8 | 174.1 | -68.3 | -73.6 | 0 | 0 | 0 | 111.9 | A339 L343 L387 H390 | A339-F392 HydrophobicContact CB-CD1 4.1Å; A339-F392 HydrophobicContact CB-CE1 4.36Å; A339-F392 HydrophobicContact CB-CG 4.24Å; A339-F392 WeakPolarHBondContact O-CE2 3.49Å; L343-F392 HydrophobicContact CD1-CE2 4.36Å; L387-F392 HydrophobicContact CB-CB 4.17Å; L387-F392 HydrophobicContact CD2-CB 3.59Å; L387-F392 HydrophobicContact CD2-CD2 3.93Å; L387-F392 HydrophobicContact CD2-CG 3.94Å; L387-F392 HydrophobicContact CG-CB 4.49Å; L387-F392 PolarHBondContact O-N 3.5Å; H390-F392 VanDerWaalsContact C-N 3.33Å; H390-F392 HydrophobicContact CB-CD2 3.68Å; H390-F392 HydrophobicContact CB-CE2 3.67Å; H390-F392 PolarHBondContact O-N 3.02Å |
| 393 | S | 75 | Confident | 83 | Confident | 102 Ų | 102 | 66 Ų | 66 | 71% | 0.713 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 142.6 | 173.1 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | F395 | S393-F395 PolarHBondContact O-N 2.61Š|
| 394 | S | 73.8 | Confident | 83.2 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 130.9 | -178.8 | 53 | 0 | 0 | 0 | 0 | 111.4 | S396 | S394-S396 PolarHBondContact O-N 3.31Š|
| 395 | F | 80.5 | Confident | 83.5 | Confident | 17 Ų | 17 | 70 Ų | 70 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | trans | -61.5 | 114.5 | -178.7 | -166.4 | -139.9 | 0 | 0 | 0 | 110.3 | T335 T336 L383 L387 S393 K400 L403 | T335-F395 HydrophobicContact CG2-CE2 4.29Å; T335-F395 HydrophobicContact CG2-CZ 4.24Å; T336-F395 HydrophobicContact CG2-CD2 4.13Å; T336-F395 HydrophobicContact CG2-CE2 3.51Å; T336-F395 HydrophobicContact CG2-CZ 3.96Å; L383-F395 HydrophobicContact CB-CD1 4.35Å; L383-F395 HydrophobicContact CD1-CE1 4.39Å; L387-F395 HydrophobicContact CD1-CB 3.82Å; L387-F395 HydrophobicContact CD1-CD2 4.31Å; L387-F395 HydrophobicContact CD1-CG 4.23Å; S393-F395 PolarHBondContact O-N 2.61Å; F395-K400 HydrophobicContact CD1-CD 4.16Å; F395-K400 HydrophobicContact CD1-CG 3.42Å; F395-K400 VanDerWaalsContact CD1-CG 3.42Å; F395-K400 HydrophobicContact CE1-CB 4.42Å; F395-K400 HydrophobicContact CE1-CG 3.53Å; F395-K400 HydrophobicContact CG-CG 4.2Å; F395-K400 HydrophobicContact CZ-CG 4.41Å; F395-K400 WeakPolarHBondContact O-CE 3.41Å; F395-K400 PolarHBondContact O-NZ 2.93Å; F395-L403 HydrophobicContact CE1-CD2 3.9Å; F395-L403 HydrophobicContact CZ-CB 4.35Å; F395-L403 HydrophobicContact CZ-CD2 3.83Å | ||
| 396 | S | 83.3 | Confident | 83.7 | Confident | 46 Ų | 46 | 69 Ų | 69 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | trans | -69 | 158.8 | -166.3 | 86.2 | 0 | 0 | 0 | 0 | 112.9 | S394 E398 S399 K400 | S394-S396 PolarHBondContact O-N 3.31Å; S396-E398 VanDerWaalsContact C-N 3.28Å; S396-E398 PolarHBondContact O-N 3.13Å; S396-E398 PolarHBondContact OG-N 3.09Å; S396-S399 PolarHBondContact O-N 3.43Å; S396-S399 WeakPolarHBondContact OG-CB 3.47Å; S396-S399 PolarHBondContact OG-N 3.24Å; S396-S399 PolarHBondContact OG-OG 2.93Å; S396-K400 WeakPolarHBondContact O-CB 3.38Å; S396-K400 WeakPolarHBondContact O-CD 3.16Å; S396-K400 VanDerWaalsContact O-CG 3.24Å; S396-K400 WeakPolarHBondContact O-CG 3.45Å; S396-K400 PolarHBondContact O-N 3.25Å | ||
| 397 | A | 84.9 | Confident | 84.2 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 69% | 0.686 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K400 S401 | A397-K400 PolarHBondContact O-N 3.32Å; A397-S401 WeakPolarHBondContact O-CB 3.34Å; A397-S401 PolarHBondContact O-N 2.8Å |
| 398 | E | 86.3 | Confident | 84.6 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 76% | 0.757 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.9 | -47.8 | 177.4 | -64.1 | 175.6 | -176.7 | 0 | 0 | 111.2 | S396 K400 S401 A402 | S396-E398 VanDerWaalsContact C-N 3.28Å; S396-E398 PolarHBondContact O-N 3.13Å; S396-E398 PolarHBondContact OG-N 3.09Å; E398-K400 VanDerWaalsContact C-N 3.3Å; E398-K400 PolarHBondContact O-N 3.41Å; E398-S401 PolarHBondContact O-N 3.27Å; E398-S401 VanDerWaalsContact O-N 3.16Å; E398-A402 WeakPolarHBondContact O-CB 3.37Å; E398-A402 PolarHBondContact O-N 2.92Å |
| 399 | S | 84.6 | Confident | 85 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 177.2 | -52 | 0 | 0 | 0 | 0 | 112.2 | S396 L403 | S396-S399 PolarHBondContact O-N 3.43Å; S396-S399 WeakPolarHBondContact OG-CB 3.47Å; S396-S399 PolarHBondContact OG-N 3.24Å; S396-S399 PolarHBondContact OG-OG 2.93Å; S399-L403 VanDerWaalsContact O-CB 3.29Å; S399-L403 WeakPolarHBondContact O-CB 3.41Å; S399-L403 PolarHBondContact O-N 3.3Å |
| 400 | K | 87.1 | Confident | 85.4 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 171.7 | -75.5 | 164.8 | 172.2 | 157 | 0 | 112.2 | C380 S384 F395 S396 A397 E398 L403 K404 | C380-K400 HydrophobicContact CB-CG 4.17Å; S384-K400 WeakPolarHBondContact OG-CE 3.2Å; S384-K400 PolarHBondContact OG-NZ 3.28Å; F395-K400 HydrophobicContact CD1-CD 4.16Å; F395-K400 HydrophobicContact CD1-CG 3.42Å; F395-K400 VanDerWaalsContact CD1-CG 3.42Å; F395-K400 HydrophobicContact CE1-CB 4.42Å; F395-K400 HydrophobicContact CE1-CG 3.53Å; F395-K400 HydrophobicContact CG-CG 4.2Å; F395-K400 HydrophobicContact CZ-CG 4.41Å; F395-K400 WeakPolarHBondContact O-CE 3.41Å; F395-K400 PolarHBondContact O-NZ 2.93Å; S396-K400 WeakPolarHBondContact O-CB 3.38Å; S396-K400 WeakPolarHBondContact O-CD 3.16Å; S396-K400 VanDerWaalsContact O-CG 3.24Å; S396-K400 WeakPolarHBondContact O-CG 3.45Å; S396-K400 PolarHBondContact O-N 3.25Å; A397-K400 PolarHBondContact O-N 3.32Å; E398-K400 VanDerWaalsContact C-N 3.3Å; E398-K400 PolarHBondContact O-N 3.41Å; K400-L403 PolarHBondContact O-N 3.27Å; K400-K404 WeakPolarHBondContact O-CG 3.17Å; K400-K404 PolarHBondContact O-N 3.42Å |
| 401 | S | 88.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | A397 E398 G405 | A397-S401 WeakPolarHBondContact O-CB 3.34Å; A397-S401 PolarHBondContact O-N 2.8Å; E398-S401 PolarHBondContact O-N 3.27Å; E398-S401 VanDerWaalsContact O-N 3.16Å; S401-G405 PolarHBondContact O-N 3.39Å |
| 402 | A | 89.9 | Confident | 86.6 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 38% | 0.38 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E398 K404 G405 Q406 | E398-A402 WeakPolarHBondContact O-CB 3.37Å; E398-A402 PolarHBondContact O-N 2.92Å; A402-K404 PolarHBondContact O-N 2.89Å; A402-G405 PolarHBondContact O-N 3.04Å; A402-Q406 WeakPolarHBondContact O-CB 3.3Å; A402-Q406 VanDerWaalsContact O-CG 3.31Å; A402-Q406 WeakPolarHBondContact O-CG 3.39Å; A402-Q406 PolarHBondContact O-N 2.93Å |
| 403 | L | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 178.6 | -177.5 | 57.2 | 0 | 0 | 0 | 111.9 | I331 V332 T335 L383 F395 S399 K400 G405 Q406 I407 | I331-L403 HydrophobicContact CG2-CD1 3.81Å; V332-L403 HydrophobicContact CG2-CD1 4.1Å; T335-L403 HydrophobicContact CG2-CB 4.36Å; L383-L403 HydrophobicContact CD1-CD2 3.65Å; F395-L403 HydrophobicContact CE1-CD2 3.9Å; F395-L403 HydrophobicContact CZ-CB 4.35Å; F395-L403 HydrophobicContact CZ-CD2 3.83Å; S399-L403 VanDerWaalsContact O-CB 3.29Å; S399-L403 WeakPolarHBondContact O-CB 3.41Å; S399-L403 PolarHBondContact O-N 3.3Å; K400-L403 PolarHBondContact O-N 3.27Å; L403-G405 PolarHBondContact O-N 2.94Å; L403-Q406 PolarHBondContact O-N 3.31Å; L403-I407 HydrophobicContact CD1-CD1 3.64Å; L403-I407 HydrophobicContact CD1-CG1 4.13Å; L403-I407 HydrophobicContact CG-CD1 3.85Å; L403-I407 WeakPolarHBondContact O-CB 3.46Å; L403-I407 VanDerWaalsContact O-CG1 3.31Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.98Å |
| 404 | K | 91.1 | Very high | 87.2 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.9 | -75.9 | -177.4 | 178.5 | -173.9 | 0 | 112.8 | E377 K400 A402 S408 | E377-K404 WeakPolarHBondContact OE1-CE 3.42Å; E377-K404 IonicContact OE1-NZ 2.65Å; E377-K404 PolarHBondContact OE1-NZ 3.19Å; K400-K404 WeakPolarHBondContact O-CG 3.17Å; K400-K404 PolarHBondContact O-N 3.42Å; A402-K404 PolarHBondContact O-N 2.89Å; K404-S408 VanDerWaalsContact O-CB 3.31Å; K404-S408 WeakPolarHBondContact O-CB 3.37Å; K404-S408 PolarHBondContact O-N 3.47Å; K404-S408 PolarHBondContact O-OG 2.88Å |
| 405 | G | 90.8 | Very high | 88.1 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S401 A402 L403 S408 A409 | S401-G405 PolarHBondContact O-N 3.39Å; A402-G405 PolarHBondContact O-N 3.04Å; L403-G405 PolarHBondContact O-N 2.94Å; G405-S408 PolarHBondContact O-N 2.89Å; G405-A409 WeakPolarHBondContact O-CB 3.39Å; G405-A409 PolarHBondContact O-N 3.48Å |
| 406 | Q | 91.1 | Very high | 88.6 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 179.5 | -73.7 | 178.3 | -14 | 0 | 0 | 112.6 | I331 A402 L403 A409 | I331-Q406 HydrophobicContact CD1-CB 4.15Å; I331-Q406 WeakPolarHBondContact CD1-O 3.3Å; I331-Q406 HydrophobicContact CG2-CB 3.67Å; A402-Q406 WeakPolarHBondContact O-CB 3.3Å; A402-Q406 VanDerWaalsContact O-CG 3.31Å; A402-Q406 WeakPolarHBondContact O-CG 3.39Å; A402-Q406 PolarHBondContact O-N 2.93Å; L403-Q406 PolarHBondContact O-N 3.31Å; Q406-A409 PolarHBondContact O-N 2.99Å |
| 407 | I | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 174 | -70.9 | 169.6 | 0 | 0 | 0 | 110.7 | V328 I331 L372 I375 L379 L403 A409 I410 | V328-I407 HydrophobicContact CG1-CD1 4.22Å; V328-I407 HydrophobicContact CG1-CG1 4.38Å; V328-I407 HydrophobicContact CG2-CG2 4.43Å; I331-I407 HydrophobicContact CG2-CG1 4.24Å; L372-I407 HydrophobicContact CB-CG2 4.25Å; L372-I407 HydrophobicContact CD2-CG2 3.9Å; L372-I407 WeakPolarHBondContact O-CG2 3.48Å; I375-I407 HydrophobicContact CG2-CG2 4.17Å; L379-I407 HydrophobicContact CD1-CD1 3.78Å; L403-I407 HydrophobicContact CD1-CD1 3.64Å; L403-I407 HydrophobicContact CD1-CG1 4.13Å; L403-I407 HydrophobicContact CG-CD1 3.85Å; L403-I407 WeakPolarHBondContact O-CB 3.46Å; L403-I407 VanDerWaalsContact O-CG1 3.31Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.98Å; I407-A409 PolarHBondContact O-N 3.21Å; I407-I410 VanDerWaalsContact O-CB 3.29Å; I407-I410 WeakPolarHBondContact O-CB 3.35Å; I407-I410 WeakPolarHBondContact O-CG1 3.39Å; I407-I410 PolarHBondContact O-N 2.91Å |
| 408 | S | 91.3 | Very high | 89.3 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.2 | -37.3 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | K404 G405 I410 I411 | K404-S408 VanDerWaalsContact O-CB 3.31Å; K404-S408 WeakPolarHBondContact O-CB 3.37Å; K404-S408 PolarHBondContact O-N 3.47Å; K404-S408 PolarHBondContact O-OG 2.88Å; G405-S408 PolarHBondContact O-N 2.89Å; S408-I410 PolarHBondContact O-N 3.47Å; S408-I411 VanDerWaalsContact O-CG2 3.3Å; S408-I411 WeakPolarHBondContact O-CG2 3.48Å; S408-I411 PolarHBondContact O-N 3.13Å |
| 409 | A | 91.8 | Very high | 89.6 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -67.4 | -11 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G405 Q406 I407 I411 Q412 N415 | G405-A409 WeakPolarHBondContact O-CB 3.39Å; G405-A409 PolarHBondContact O-N 3.48Å; Q406-A409 PolarHBondContact O-N 2.99Å; I407-A409 PolarHBondContact O-N 3.21Å; A409-I411 PolarHBondContact O-N 3.15Å; A409-Q412 PolarHBondContact O-N 3.39Å; A409-N415 PolarHBondContact O-ND2 3.4Å |
| 410 | I | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -63.9 | -26.1 | 174 | -63.8 | 171.1 | 0 | 0 | 0 | 111.3 | L324 V328 I331 L372 I407 S408 Q412 R418 | L324-I410 HydrophobicContact CD2-CG2 3.45Å; L324-I410 VanDerWaalsContact CD2-CG2 3.45Å; V328-I410 HydrophobicContact CB-CD1 4.32Å; V328-I410 HydrophobicContact CG2-CD1 3.49Å; V328-I410 VanDerWaalsContact CG2-CD1 3.49Å; I331-I410 HydrophobicContact CD1-CD1 3.77Å; I331-I410 HydrophobicContact CD1-CG1 3.79Å; L372-I410 HydrophobicContact CD1-CB 4.36Å; L372-I410 HydrophobicContact CD2-CB 4.43Å; I407-I410 VanDerWaalsContact O-CB 3.29Å; I407-I410 WeakPolarHBondContact O-CB 3.35Å; I407-I410 WeakPolarHBondContact O-CG1 3.39Å; I407-I410 PolarHBondContact O-N 2.91Å; S408-I410 PolarHBondContact O-N 3.47Å; I410-Q412 PolarHBondContact O-N 2.7Å; I410-Q412 VanDerWaalsContact O-N 3.09Å; I410-R418 VanDerWaalsContact O-CD 3.24Å; I410-R418 WeakPolarHBondContact O-CD 3.08Å; I410-R418 PolarHBondContact O-NH1 2.93Å |
| 411 | I | 89.6 | Confident | 90.3 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -57 | -29.8 | -178.8 | -159.1 | 167.6 | 0 | 0 | 0 | 112.8 | M368 Q369 L372 S408 A409 R418 | M368-I411 HydrophobicContact CB-CD1 4.29Å; M368-I411 HydrophobicContact CG-CD1 4.32Å; M368-I411 HydrophobicContact CG-CG1 4.15Å; Q369-I411 HydrophobicContact CB-CD1 3.84Å; L372-I411 HydrophobicContact CD1-CB 3.82Å; L372-I411 HydrophobicContact CD1-CG1 4.47Å; S408-I411 VanDerWaalsContact O-CG2 3.3Å; S408-I411 WeakPolarHBondContact O-CG2 3.48Å; S408-I411 PolarHBondContact O-N 3.13Å; A409-I411 PolarHBondContact O-N 3.15Å; I411-R418 VanDerWaalsContact C-NH1 3.29Å; I411-R418 PolarHBondContact O-NH1 3.25Å |
| 412 | Q | 87.9 | Confident | 90.5 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -73.7 | 132.1 | 178.8 | -59.4 | -58.5 | -24.3 | 0 | 0 | 111.3 | A409 I410 D414 N415 R418 | A409-Q412 PolarHBondContact O-N 3.39Å; I410-Q412 PolarHBondContact O-N 2.7Å; I410-Q412 VanDerWaalsContact O-N 3.09Å; Q412-D414 PolarHBondContact O-N 3.04Å; Q412-N415 VanDerWaalsContact O-CB 3.3Å; Q412-N415 WeakPolarHBondContact O-CB 3.44Å; Q412-N415 PolarHBondContact O-N 2.94Å; Q412-R418 PolarHBondContact O-NH1 3.17Å |
| 413 | P | 80.8 | Confident | 90.6 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.7 | 178.4 | 28.6 | -35 | 0 | 0 | 0 | 112.3 | N415 K419 | P413-N415 VanDerWaalsContact C-N 3.29Å; P413-N415 PolarHBondContact O-N 2.97Å; P413-K419 WeakPolarHBondContact O-CE 3.43Å |
| 414 | D | 85.6 | Confident | 90.8 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.4 | 178.7 | -68.9 | -63.6 | 0 | 0 | 0 | 115.1 | Q412 T416 K419 | Q412-D414 PolarHBondContact O-N 3.04Å; D414-T416 PolarHBondContact O-N 2.81Å; D414-K419 IonicContact OD1-NZ 3.96Å; D414-K419 PolarHBondContact OD1-NZ 3.25Å |
| 415 | N | 92.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | trans | -56.7 | 126.4 | 177.8 | -178.7 | -65.2 | 0 | 0 | 0 | 111.5 | A409 Q412 P413 V417 R418 K419 | A409-N415 PolarHBondContact O-ND2 3.4Å; Q412-N415 VanDerWaalsContact O-CB 3.3Å; Q412-N415 WeakPolarHBondContact O-CB 3.44Å; Q412-N415 PolarHBondContact O-N 2.94Å; P413-N415 VanDerWaalsContact C-N 3.29Å; P413-N415 PolarHBondContact O-N 2.97Å; N415-V417 PolarHBondContact O-N 3.07Å; N415-V417 WeakPolarHBondContact OD1-CA 3.49Å; N415-V417 WeakPolarHBondContact OD1-CB 3.46Å; N415-V417 PolarHBondContact OD1-N 2.83Å; N415-R418 HydrophobicContact CB-CB 3.92Å; N415-R418 PolarHBondContact O-N 3.4Å; N415-R418 PolarHBondContact OD1-N 3.32Å; N415-K419 PolarHBondContact O-N 3.02Å | ||
| 416 | T | 91.1 | Very high | 91 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 72% | 0.718 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | -174.5 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | D414 L420 | D414-T416 PolarHBondContact O-N 2.81Å; T416-L420 WeakPolarHBondContact O-CB 3.48Å; T416-L420 PolarHBondContact O-N 3.19Å |
| 417 | V | 91.3 | Very high | 91 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | L330 I331 N415 L420 M421 | L330-V417 HydrophobicContact CB-CG1 4.46Å; L330-V417 HydrophobicContact CD2-CG1 4.1Å; L330-V417 HydrophobicContact CG-CG1 4.46Å; I331-V417 HydrophobicContact CD1-CG2 4.39Å; I331-V417 HydrophobicContact CG1-CG1 4.15Å; I331-V417 HydrophobicContact CG1-CG2 4.21Å; N415-V417 PolarHBondContact O-N 3.07Å; N415-V417 WeakPolarHBondContact OD1-CA 3.49Å; N415-V417 WeakPolarHBondContact OD1-CB 3.46Å; N415-V417 PolarHBondContact OD1-N 2.83Å; V417-L420 WeakPolarHBondContact O-CB 3.43Å; V417-L420 PolarHBondContact O-N 3.27Å; V417-M421 HydrophobicContact CG1-CG 4.48Å; V417-M421 WeakPolarHBondContact O-CG 3.25Å; V417-M421 PolarHBondContact O-N 3.28Å |
| 418 | R | 92.1 | Very high | 91 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.7 | -175.5 | 173.6 | 173.2 | -179 | -4.6 | 112.2 | V323 S327 I410 I411 Q412 N415 L420 M421 D422 | V323-R418 HydrophobicContact CG1-CG 3.82Å; S327-R418 WeakPolarHBondContact OG-CA 3.49Å; I410-R418 VanDerWaalsContact O-CD 3.24Å; I410-R418 WeakPolarHBondContact O-CD 3.08Å; I410-R418 PolarHBondContact O-NH1 2.93Å; I411-R418 VanDerWaalsContact C-NH1 3.29Å; I411-R418 PolarHBondContact O-NH1 3.25Å; Q412-R418 PolarHBondContact O-NH1 3.17Å; N415-R418 HydrophobicContact CB-CB 3.92Å; N415-R418 PolarHBondContact O-N 3.4Å; N415-R418 PolarHBondContact OD1-N 3.32Å; R418-L420 VanDerWaalsContact C-N 3.3Å; R418-L420 PolarHBondContact O-N 2.84Å; R418-M421 PolarHBondContact O-N 2.97Å; R418-D422 WeakPolarHBondContact O-CB 3.05Å; R418-D422 PolarHBondContact O-N 3.16Å |
| 419 | K | 92.9 | Very high | 91 | Very high | 105 Ų | 105 | 51.9 Ų | 51.9 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 174.7 | -78.5 | 179.2 | 168.6 | 172.4 | 0 | 112.2 | P413 D414 N415 S423 | P413-K419 WeakPolarHBondContact O-CE 3.43Å; D414-K419 IonicContact OD1-NZ 3.96Å; D414-K419 PolarHBondContact OD1-NZ 3.25Å; N415-K419 PolarHBondContact O-N 3.02Å; K419-S423 WeakPolarHBondContact O-CB 3.17Å; K419-S423 PolarHBondContact O-N 3.02Å |
| 420 | L | 92.4 | Very high | 91 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.6 | -176 | 65.1 | 0 | 0 | 0 | 112.4 | T416 V417 R418 R424 | T416-L420 WeakPolarHBondContact O-CB 3.48Å; T416-L420 PolarHBondContact O-N 3.19Å; V417-L420 WeakPolarHBondContact O-CB 3.43Å; V417-L420 PolarHBondContact O-N 3.27Å; R418-L420 VanDerWaalsContact C-N 3.3Å; R418-L420 PolarHBondContact O-N 2.84Å; L420-R424 WeakPolarHBondContact O-CB 3.4Å; L420-R424 VanDerWaalsContact O-CG 3.28Å; L420-R424 WeakPolarHBondContact O-CG 3.31Å; L420-R424 PolarHBondContact O-N 2.86Å; L420-R424 VanDerWaalsContact O-N 3.07Å |
| 421 | M | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 177.5 | -67.8 | -50.8 | 89.6 | 0 | 0 | 112.1 | V323 S326 S327 L330 V417 R418 R424 I425 L448 | V323-M421 HydrophobicContact CG1-CB 4.44Å; S326-M421 WeakPolarHBondContact OG-CB 3.37Å; S327-M421 WeakPolarHBondContact OG-CG 3.46Å; L330-M421 HydrophobicContact CD2-CE 3.33Å; L330-M421 HydrophobicContact CD2-SD 3.8Å; V417-M421 HydrophobicContact CG1-CG 4.48Å; V417-M421 WeakPolarHBondContact O-CG 3.25Å; V417-M421 PolarHBondContact O-N 3.28Å; R418-M421 PolarHBondContact O-N 2.97Å; M421-R424 PolarHBondContact O-N 3.44Å; M421-I425 WeakPolarHBondContact O-CB 3.33Å; M421-I425 WeakPolarHBondContact O-CG1 3.09Å; M421-I425 PolarHBondContact O-N 3.37Å; M421-L448 HydrophobicContact SD-CD2 4.15Å |
| 422 | D | 93.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -52.1 | 173 | -179.2 | 40.9 | 0 | 0 | 0 | 110.9 | R293 V323 R418 R424 I425 Q426 | R293-D422 IonicContact CZ-OD2 2.68Å; R293-D422 IonicContact NE-OD1 2.75Å; R293-D422 IonicContact NE-OD2 2.63Å; R293-D422 PolarHBondContact NE-OD2 2.91Å; R293-D422 IonicContact NH2-OD1 3.16Å; R293-D422 IonicContact NH2-OD2 3.97Å; R293-D422 PolarHBondContact NH2-OD2 3.47Å; V323-D422 HydrophobicContact CG1-CB 4.09Å; V323-D422 HydrophobicContact CG2-CB 3.8Å; R418-D422 WeakPolarHBondContact O-CB 3.05Å; R418-D422 PolarHBondContact O-N 3.16Å; D422-R424 VanDerWaalsContact C-N 3.32Å; D422-R424 PolarHBondContact O-N 2.93Å; D422-I425 PolarHBondContact O-N 3.28Å; D422-Q426 WeakPolarHBondContact O-CG 3.43Å; D422-Q426 PolarHBondContact O-N 3.35Å; D422-Q426 PolarHBondContact OD1-NE2 3.43Å |
| 423 | S | 92.2 | Very high | 90.8 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.3 | -46.1 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | K419 I425 Q426 S427 | K419-S423 WeakPolarHBondContact O-CB 3.17Å; K419-S423 PolarHBondContact O-N 3.02Å; S423-I425 PolarHBondContact O-N 2.88Å; S423-Q426 PolarHBondContact O-N 3.24Å; S423-S427 WeakPolarHBondContact O-CB 3.35Å; S423-S427 PolarHBondContact O-N 2.84Å; S423-S427 PolarHBondContact O-OG 3.36Å; S423-S427 VanDerWaalsContact O-OG 3.09Å |
| 424 | R | 93.7 | Very high | 91 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 177.2 | -73.1 | 177.3 | -174.5 | 173.2 | 5.2 | 113.2 | L420 M421 D422 Y428 P445 G446 L448 | L420-R424 WeakPolarHBondContact O-CB 3.4Å; L420-R424 VanDerWaalsContact O-CG 3.28Å; L420-R424 WeakPolarHBondContact O-CG 3.31Å; L420-R424 PolarHBondContact O-N 2.86Å; L420-R424 VanDerWaalsContact O-N 3.07Å; M421-R424 PolarHBondContact O-N 3.44Å; D422-R424 VanDerWaalsContact C-N 3.32Å; D422-R424 PolarHBondContact O-N 2.93Å; R424-Y428 WeakPolarHBondContact O-CB 3.41Å; R424-Y428 PolarHBondContact O-N 3.05Å; R424-Y428 VanDerWaalsContact O-N 3.07Å; R424-P445 HydrophobicContact CB-CB 3.88Å; R424-P445 HydrophobicContact CB-CG 4.28Å; R424-P445 HydrophobicContact CG-CB 3.96Å; R424-G446 WeakPolarHBondContact CD-O 3.38Å; R424-G446 PolarHBondContact NH1-O 3.38Å; R424-L448 HydrophobicContact CB-CD1 3.84Å; R424-L448 HydrophobicContact CB-CG 4.49Å |
| 425 | I | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -46.5 | 176.7 | -75.1 | 165.2 | 0 | 0 | 0 | 110.5 | L322 V323 M421 D422 S423 S427 Y428 L429 L448 L455 | L322-I425 HydrophobicContact CB-CD1 3.85Å; V323-I425 HydrophobicContact CB-CD1 4.44Å; V323-I425 HydrophobicContact CG2-CD1 3.68Å; M421-I425 WeakPolarHBondContact O-CB 3.33Å; M421-I425 WeakPolarHBondContact O-CG1 3.09Å; M421-I425 PolarHBondContact O-N 3.37Å; D422-I425 PolarHBondContact O-N 3.28Å; S423-I425 PolarHBondContact O-N 2.88Å; I425-S427 PolarHBondContact O-N 2.83Å; I425-Y428 WeakPolarHBondContact O-CB 3.32Å; I425-Y428 PolarHBondContact O-N 3.34Å; I425-L429 HydrophobicContact CG2-CD1 4.09Å; I425-L429 WeakPolarHBondContact O-CG 3.37Å; I425-L429 PolarHBondContact O-N 3.04Å; I425-L448 HydrophobicContact CD1-CD2 4.18Å; I425-L448 HydrophobicContact CG1-CD1 3.85Å; I425-L448 HydrophobicContact CG1-CD2 4.02Å; I425-L455 HydrophobicContact CG1-CD1 4.26Å; I425-L455 HydrophobicContact CG1-CD2 4.39Å; I425-L455 HydrophobicContact CG2-CD1 3.98Å |
| 426 | Q | 92 | Very high | 89 | Confident | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.7 | -56.1 | -47.6 | -27.8 | 0 | 0 | 112 | I289 D422 S423 Y428 L429 M430 | I289-Q426 HydrophobicContact CG2-CB 4.32Å; D422-Q426 WeakPolarHBondContact O-CG 3.43Å; D422-Q426 PolarHBondContact O-N 3.35Å; D422-Q426 PolarHBondContact OD1-NE2 3.43Å; S423-Q426 PolarHBondContact O-N 3.24Å; Q426-Y428 VanDerWaalsContact C-N 3.3Å; Q426-Y428 PolarHBondContact O-N 3.45Å; Q426-L429 PolarHBondContact O-N 3.29Å; Q426-M430 WeakPolarHBondContact O-CB 3.13Å; Q426-M430 PolarHBondContact O-N 3.23Å |
| 427 | S | 91.3 | Very high | 87.3 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 174.5 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | S423 I425 A431 | S423-S427 WeakPolarHBondContact O-CB 3.35Å; S423-S427 PolarHBondContact O-N 2.84Å; S423-S427 PolarHBondContact O-OG 3.36Å; S423-S427 VanDerWaalsContact O-OG 3.09Å; I425-S427 PolarHBondContact O-N 2.83Å; S427-A431 VanDerWaalsContact O-CB 3.29Å; S427-A431 WeakPolarHBondContact O-CB 3.49Å; S427-A431 PolarHBondContact O-N 3.14Å |
| 428 | Y | 92.3 | Very high | 85.3 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.7 | -42.1 | 175.1 | -173.9 | -99.4 | 0 | 0 | 0 | 112.2 | R424 I425 Q426 A431 A432 P442 L444 L455 K456 | R424-Y428 WeakPolarHBondContact O-CB 3.41Å; R424-Y428 PolarHBondContact O-N 3.05Å; R424-Y428 VanDerWaalsContact O-N 3.07Å; I425-Y428 WeakPolarHBondContact O-CB 3.32Å; I425-Y428 PolarHBondContact O-N 3.34Å; Q426-Y428 VanDerWaalsContact C-N 3.3Å; Q426-Y428 PolarHBondContact O-N 3.45Å; Y428-A431 PolarHBondContact O-N 2.91Å; Y428-A432 WeakPolarHBondContact O-CB 3.33Å; Y428-A432 PolarHBondContact O-N 3.41Å; Y428-P442 HydrophobicContact CD2-CG 4.07Å; Y428-P442 HydrophobicContact CE2-CB 4.33Å; Y428-P442 HydrophobicContact CE2-CG 3.68Å; Y428-L444 HydrophobicContact CD2-CD1 4.35Å; Y428-L444 HydrophobicContact CE2-CD1 4.04Å; Y428-L455 HydrophobicContact CD1-CD1 3.91Å; Y428-L455 HydrophobicContact CD1-CD2 3.72Å; Y428-L455 HydrophobicContact CD1-CG 3.54Å; Y428-L455 HydrophobicContact CE1-CD2 4.19Å; Y428-L455 HydrophobicContact CE1-CG 3.8Å; Y428-L455 HydrophobicContact CG-CD2 4.02Å; Y428-L455 HydrophobicContact CG-CG 4.34Å; Y428-K456 WeakPolarHBondContact OH-CG 3.44Å |
| 429 | L | 92.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 177.4 | -64.5 | 172.9 | 0 | 0 | 0 | 111.9 | I289 L292 I425 Q426 A432 L433 L455 L458 | I289-L429 HydrophobicContact CD1-CB 3.42Å; I289-L429 VanDerWaalsContact CD1-CB 3.42Å; I289-L429 HydrophobicContact CD1-CD1 4.35Å; L292-L429 HydrophobicContact CD1-CD1 3.83Å; I425-L429 HydrophobicContact CG2-CD1 4.09Å; I425-L429 WeakPolarHBondContact O-CG 3.37Å; I425-L429 PolarHBondContact O-N 3.04Å; Q426-L429 PolarHBondContact O-N 3.29Å; L429-A432 PolarHBondContact O-N 3.44Å; L429-L433 PolarHBondContact O-N 2.76Å; L429-L433 VanDerWaalsContact O-N 3.1Å; L429-L455 HydrophobicContact CD2-CD1 4.47Å; L429-L458 HydrophobicContact CD2-CG 4.35Å |
| 430 | M | 90.7 | Very high | 82.3 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.5 | -54.5 | 169.5 | -83.3 | -64.4 | -61.1 | 0 | 0 | 111.5 | N285 H286 I289 Q426 A432 L433 E434 | N285-M430 HydrophobicContact CB-CE 3.72Å; N285-M430 HydrophobicContact CB-SD 3.92Å; H286-M430 WeakPolarHBondContact CE1-CE 3.22Å; I289-M430 HydrophobicContact CB-SD 4.2Å; I289-M430 HydrophobicContact CG1-CG 3.91Å; I289-M430 HydrophobicContact CG1-SD 3.64Å; Q426-M430 WeakPolarHBondContact O-CB 3.13Å; Q426-M430 PolarHBondContact O-N 3.23Å; M430-A432 PolarHBondContact O-N 3.11Å; M430-A432 VanDerWaalsContact O-N 3.16Å; M430-L433 WeakPolarHBondContact O-CB 3.47Å; M430-L433 PolarHBondContact O-N 3.33Å; M430-E434 WeakPolarHBondContact CE-OE1 3.39Å; M430-E434 PolarHBondContact O-N 3.14Å; M430-E434 VanDerWaalsContact O-N 3.11Å |
| 431 | A | 89.2 | Confident | 81.2 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -26.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S427 Y428 S435 P442 | S427-A431 VanDerWaalsContact O-CB 3.29Å; S427-A431 WeakPolarHBondContact O-CB 3.49Å; S427-A431 PolarHBondContact O-N 3.14Å; Y428-A431 PolarHBondContact O-N 2.91Å; A431-S435 VanDerWaalsContact O-CB 3.27Å; A431-S435 WeakPolarHBondContact O-CB 3.38Å; A431-S435 PolarHBondContact O-N 3.32Å; A431-S435 PolarHBondContact O-OG 3.48Å; A431-P442 HydrophobicContact CB-CB 3.7Å; A431-P442 HydrophobicContact CB-CG 4.24Å |
| 432 | A | 88.9 | Confident | 80.6 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.2 | -19.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y428 L429 M430 P442 S459 S463 | Y428-A432 WeakPolarHBondContact O-CB 3.33Å; Y428-A432 PolarHBondContact O-N 3.41Å; L429-A432 PolarHBondContact O-N 3.44Å; M430-A432 PolarHBondContact O-N 3.11Å; M430-A432 VanDerWaalsContact O-N 3.16Å; A432-P442 HydrophobicContact CB-CG 4.06Å; A432-S459 WeakPolarHBondContact CB-OG 3.44Å; A432-S463 PolarHBondContact O-OG 3.42Å |
| 433 | L | 87.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.5 | -42.4 | 164.5 | -68.4 | -176.8 | 0 | 0 | 0 | 110.2 | N285 I289 L429 M430 S436 F462 V466 | N285-L433 HydrophobicContact CB-CD1 3.94Å; I289-L433 HydrophobicContact CG1-CD1 4.41Å; L429-L433 PolarHBondContact O-N 2.76Å; L429-L433 VanDerWaalsContact O-N 3.1Å; M430-L433 WeakPolarHBondContact O-CB 3.47Å; M430-L433 PolarHBondContact O-N 3.33Å; L433-S436 WeakPolarHBondContact O-CB 3.37Å; L433-S436 PolarHBondContact O-OG 3.48Å; L433-F462 HydrophobicContact CD1-CE1 3.78Å; L433-F462 HydrophobicContact CD1-CZ 4.37Å; L433-F462 HydrophobicContact CD2-CD1 4.04Å; L433-F462 HydrophobicContact CD2-CE1 3.87Å; L433-F462 HydrophobicContact CG-CD1 4.36Å; L433-F462 HydrophobicContact CG-CE1 3.87Å; L433-V466 HydrophobicContact CD1-CG1 4.21Å; L433-V466 HydrophobicContact CD2-CB 3.8Å; L433-V466 HydrophobicContact CD2-CG1 3.6Å; L433-V466 HydrophobicContact CD2-CG2 4.24Å |
| 434 | E | 84.1 | Confident | 79.8 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.7 | -51.4 | -179.7 | -67.5 | 163.5 | -173.3 | 0 | 0 | 112.1 | N285 M430 S436 Q437 | N285-E434 WeakPolarHBondContact ND2-CG 3.21Å; M430-E434 WeakPolarHBondContact CE-OE1 3.39Å; M430-E434 PolarHBondContact O-N 3.14Å; M430-E434 VanDerWaalsContact O-N 3.11Å; E434-S436 PolarHBondContact O-N 3.04Å; E434-S436 VanDerWaalsContact O-N 3.08Å; E434-Q437 PolarHBondContact O-N 3.04Å |
| 435 | S | 73.2 | Confident | 79.4 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -69 | -9.5 | -177.8 | 91.1 | 0 | 0 | 0 | 0 | 114 | A431 Q437 H438 K439 T440 | A431-S435 VanDerWaalsContact O-CB 3.27Å; A431-S435 WeakPolarHBondContact O-CB 3.38Å; A431-S435 PolarHBondContact O-N 3.32Å; A431-S435 PolarHBondContact O-OG 3.48Å; S435-Q437 PolarHBondContact O-N 2.68Å; S435-Q437 VanDerWaalsContact O-N 3.12Å; S435-H438 CarbonylContact O-C 3.58Å; S435-H438 PolarHBondContact O-N 2.73Å; S435-K439 PolarHBondContact O-N 3.29Å; S435-T440 WeakPolarHBondContact CB-O 3.36Å; S435-T440 PolarHBondContact OG-O 3.5Å |
| 436 | S | 61.7 | Low | 78.7 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -58.1 | -22.6 | 171.8 | 75.1 | 0 | 0 | 0 | 0 | 113 | L433 E434 N467 | L433-S436 WeakPolarHBondContact O-CB 3.37Å; L433-S436 PolarHBondContact O-OG 3.48Å; E434-S436 PolarHBondContact O-N 3.04Å; E434-S436 VanDerWaalsContact O-N 3.08Å; S436-N467 WeakPolarHBondContact CB-ND2 2.97Å; S436-N467 PolarHBondContact OG-ND2 2.89Å |
| 437 | Q | 55.6 | Low | 78.1 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 62% | 0.621 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -76.1 | -25.2 | 172.1 | -58.3 | -175 | 4.5 | 0 | 0 | 113.5 | E434 S435 | E434-Q437 PolarHBondContact O-N 3.04Å; S435-Q437 PolarHBondContact O-N 2.68Å; S435-Q437 VanDerWaalsContact O-N 3.12Å |
| 438 | H | 50.3 | Low | 77.9 | Confident | 138 Ų | 138 | 57.4 Ų | 57.4 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -1.5 | -170.2 | -63.7 | -59.3 | 0 | 0 | 0 | 114.7 | S435 T440 | S435-H438 CarbonylContact O-C 3.58Å; S435-H438 PolarHBondContact O-N 2.73Å; H438-T440 PolarHBondContact O-N 3.22Å |
| 439 | K | 59.3 | Low | 77.6 | Confident | 199 Ų | 199 | 60.2 Ų | 60.2 | 87% | 0.865 | 36% | 0.358 | S | S | * | . | trans | 62.1 | -3.4 | 177.5 | -57.5 | -178.6 | 179.9 | 177.5 | 0 | 116.4 | S435 | S435-K439 PolarHBondContact O-N 3.29Š| ||
| 440 | T | 62.5 | Low | 77.3 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 135.4 | 172.5 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | S435 H438 | S435-T440 WeakPolarHBondContact CB-O 3.36Å; S435-T440 PolarHBondContact OG-O 3.5Å; H438-T440 PolarHBondContact O-N 3.22Å |
| 441 | P | 69.4 | Low | 77.3 | Confident | 105 Ų | 105 | 61 Ų | 61 | 68% | 0.682 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 140 | 170.8 | 29.6 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 442 | P | 79.9 | Confident | 77.3 | Confident | 18 Ų | 18 | 61 Ų | 61 | 12% | 0.117 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 150.3 | 178.1 | 26.7 | -31.9 | 0 | 0 | 0 | 111.1 | Y428 A431 A432 | Y428-P442 HydrophobicContact CD2-CG 4.07Å; Y428-P442 HydrophobicContact CE2-CB 4.33Å; Y428-P442 HydrophobicContact CE2-CG 3.68Å; A431-P442 HydrophobicContact CB-CB 3.7Å; A431-P442 HydrophobicContact CB-CG 4.24Å; A432-P442 HydrophobicContact CB-CG 4.06Å |
| 443 | P | 83.6 | Confident | 77.5 | Confident | 119 Ų | 119 | 68.1 Ų | 68.1 | 77% | 0.773 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 138.3 | 177.2 | 27.6 | -34.6 | 0 | 0 | 0 | 110.3 | P445 | P443-P445 WeakPolarHBondContact O-CD 2.83Š|
| 444 | L | 85.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 69 Ų | 69 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 127.2 | -177.4 | -172.4 | 75.9 | 0 | 0 | 0 | 110.8 | Y428 L448 A449 S452 L455 | Y428-L444 HydrophobicContact CD2-CD1 4.35Å; Y428-L444 HydrophobicContact CE2-CD1 4.04Å; L444-L448 HydrophobicContact CD1-CB 4.13Å; L444-L448 HydrophobicContact CG-CB 4.25Å; L444-A449 HydrophobicContact CD2-CB 4.34Å; L444-S452 VanDerWaalsContact CD2-CB 3.46Å; L444-L455 HydrophobicContact CD1-CD2 4.05Å |
| 445 | P | 84 | Confident | 78.2 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 20% | 0.201 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 147.4 | 174.5 | -23.9 | 33.6 | 0 | 0 | 0 | 113 | R424 P443 L448 | R424-P445 HydrophobicContact CB-CB 3.88Å; R424-P445 HydrophobicContact CB-CG 4.28Å; R424-P445 HydrophobicContact CG-CB 3.96Å; P443-P445 WeakPolarHBondContact O-CD 2.83Å; P445-L448 HydrophobicContact CB-CD1 4.03Å; P445-L448 HydrophobicContact CG-CD1 4.1Å; P445-L448 PolarHBondContact O-N 2.95Å |
| 446 | G | 79.8 | Confident | 79 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 145.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R424 L448 | R424-G446 WeakPolarHBondContact CD-O 3.38Å; R424-G446 PolarHBondContact NH1-O 3.38Å; G446-L448 PolarHBondContact O-N 3.46Å |
| 447 | G | 80.1 | Confident | 80.5 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -21.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A449 P450 | G447-A449 VanDerWaalsContact C-N 3.33Å; G447-A449 PolarHBondContact O-N 3Å; G447-P450 WeakPolarHBondContact O-CD 3.33Å |
| 448 | L | 86.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -86.4 | 1.1 | -179.5 | -59.6 | -179.5 | 0 | 0 | 0 | 114 | M421 R424 I425 L444 P445 G446 V451 S452 L455 | M421-L448 HydrophobicContact SD-CD2 4.15Å; R424-L448 HydrophobicContact CB-CD1 3.84Å; R424-L448 HydrophobicContact CB-CG 4.49Å; I425-L448 HydrophobicContact CD1-CD2 4.18Å; I425-L448 HydrophobicContact CG1-CD1 3.85Å; I425-L448 HydrophobicContact CG1-CD2 4.02Å; L444-L448 HydrophobicContact CD1-CB 4.13Å; L444-L448 HydrophobicContact CG-CB 4.25Å; P445-L448 HydrophobicContact CB-CD1 4.03Å; P445-L448 HydrophobicContact CG-CD1 4.1Å; P445-L448 PolarHBondContact O-N 2.95Å; G446-L448 PolarHBondContact O-N 3.46Å; L448-V451 HydrophobicContact CB-CG2 4.19Å; L448-V451 HydrophobicContact CD2-CG2 4.05Å; L448-V451 CarbonylContact O-C 3.53Å; L448-V451 WeakPolarHBondContact O-CG2 3.36Å; L448-V451 PolarHBondContact O-N 3.09Å; L448-V451 VanDerWaalsContact O-N 3.15Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 VanDerWaalsContact O-N 3.13Å; L448-L455 HydrophobicContact CB-CD2 4.32Å; L448-L455 HydrophobicContact CD1-CD2 3.72Å | ||
| 449 | A | 86.1 | Confident | 84.3 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -53.4 | -43.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L444 G447 V451 S452 | L444-A449 HydrophobicContact CD2-CB 4.34Å; G447-A449 VanDerWaalsContact C-N 3.33Å; G447-A449 PolarHBondContact O-N 3Å; A449-V451 VanDerWaalsContact C-N 3.28Å; A449-V451 PolarHBondContact O-N 3.06Å; A449-S452 WeakPolarHBondContact O-CB 3.34Å; A449-S452 PolarHBondContact O-N 3.47Å; A449-S452 PolarHBondContact O-OG 3.4Å |
| 450 | P | 85.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -65.2 | -28.2 | 179 | -22.4 | 35.4 | 0 | 0 | 0 | 114.2 | L329 M347 K351 G447 | L329-P450 HydrophobicContact CD1-CB 3.82Å; L329-P450 HydrophobicContact CD1-CG 4.45Å; M347-P450 HydrophobicContact CG-CB 3.95Å; M347-P450 HydrophobicContact CG-CG 3.82Å; M347-P450 HydrophobicContact SD-CB 4.14Å; M347-P450 HydrophobicContact SD-CG 3.77Å; K351-P450 WeakPolarHBondContact CD-O 3.21Å; K351-P450 WeakPolarHBondContact CE-O 3.41Å; K351-P450 PolarHBondContact NZ-O 3.42Å; G447-P450 WeakPolarHBondContact O-CD 3.33Å |
| 451 | V | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -103.3 | 14.6 | -178.8 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | L322 L325 L329 L448 A449 R453 E454 L455 | L322-V451 HydrophobicContact CD2-CB 3.96Å; L322-V451 HydrophobicContact CD2-CG1 4.44Å; L322-V451 HydrophobicContact CD2-CG2 4.48Å; L325-V451 HydrophobicContact CD2-CG1 3.61Å; L325-V451 HydrophobicContact CG-CG1 3.79Å; L329-V451 HydrophobicContact CD1-CG1 4.48Å; L448-V451 HydrophobicContact CB-CG2 4.19Å; L448-V451 HydrophobicContact CD2-CG2 4.05Å; L448-V451 CarbonylContact O-C 3.53Å; L448-V451 WeakPolarHBondContact O-CG2 3.36Å; L448-V451 PolarHBondContact O-N 3.09Å; L448-V451 VanDerWaalsContact O-N 3.15Å; A449-V451 VanDerWaalsContact C-N 3.28Å; A449-V451 PolarHBondContact O-N 3.06Å; V451-R453 VanDerWaalsContact C-N 3.28Å; V451-R453 PolarHBondContact O-N 3.27Å; V451-E454 WeakPolarHBondContact CA-OE2 3.41Å; V451-E454 PolarHBondContact O-N 2.84Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 PolarHBondContact O-N 2.99Å |
| 452 | S | 90.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73 | -13.4 | -169.5 | 67.3 | 0 | 0 | 0 | 0 | 115.1 | L444 L448 A449 K456 | L444-S452 VanDerWaalsContact CD2-CB 3.46Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 VanDerWaalsContact O-N 3.13Å; A449-S452 WeakPolarHBondContact O-CB 3.34Å; A449-S452 PolarHBondContact O-N 3.47Å; A449-S452 PolarHBondContact O-OG 3.4Å; S452-K456 WeakPolarHBondContact O-CB 3.14Å; S452-K456 WeakPolarHBondContact O-CD 3.44Å; S452-K456 WeakPolarHBondContact O-CE 3.42Å; S452-K456 WeakPolarHBondContact O-CG 3.31Å |
| 453 | R | 91.1 | Very high | 88.8 | Confident | 155 Ų | 155 | 47.6 Ų | 47.6 | 59% | 0.585 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -78.4 | -54.1 | 171.5 | 174.3 | -178.6 | 64.2 | -178.6 | 1 | 109.7 | V451 K456 E457 | V451-R453 VanDerWaalsContact C-N 3.28Å; V451-R453 PolarHBondContact O-N 3.27Å; R453-K456 WeakPolarHBondContact O-CB 3.37Å; R453-K456 PolarHBondContact O-N 2.86Å; R453-E457 PolarHBondContact O-N 3.16Å |
| 454 | E | 93.3 | Very high | 89.1 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | -176.2 | -61.5 | 73 | -159.8 | 0 | 0 | 110.5 | W321 L322 K351 V451 K456 E457 L458 | W321-E454 HydrophobicContact CZ3-CG 4.4Å; L322-E454 HydrophobicContact CD2-CB 3.77Å; K351-E454 IonicContact NZ-OE1 3.88Å; K351-E454 PolarHBondContact NZ-OE1 3.18Å; K351-E454 IonicContact NZ-OE2 3.32Å; K351-E454 PolarHBondContact NZ-OE2 2.99Å; V451-E454 WeakPolarHBondContact CA-OE2 3.41Å; V451-E454 PolarHBondContact O-N 2.84Å; E454-K456 VanDerWaalsContact C-N 3.31Å; E454-K456 PolarHBondContact O-N 3.26Å; E454-E457 PolarHBondContact O-N 3.3Å; E454-E457 VanDerWaalsContact O-N 3.08Å; E454-L458 PolarHBondContact O-N 3.11Å |
| 455 | L | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -34.3 | 176.1 | -179.2 | 61.3 | 0 | 0 | 0 | 113.3 | L322 I425 Y428 L429 L444 L448 V451 S459 | L322-L455 HydrophobicContact CD1-CB 4.32Å; L322-L455 HydrophobicContact CD1-CD1 4.17Å; I425-L455 HydrophobicContact CG1-CD1 4.26Å; I425-L455 HydrophobicContact CG1-CD2 4.39Å; I425-L455 HydrophobicContact CG2-CD1 3.98Å; Y428-L455 HydrophobicContact CD1-CD1 3.91Å; Y428-L455 HydrophobicContact CD1-CD2 3.72Å; Y428-L455 HydrophobicContact CD1-CG 3.54Å; Y428-L455 HydrophobicContact CE1-CD2 4.19Å; Y428-L455 HydrophobicContact CE1-CG 3.8Å; Y428-L455 HydrophobicContact CG-CD2 4.02Å; Y428-L455 HydrophobicContact CG-CG 4.34Å; L429-L455 HydrophobicContact CD2-CD1 4.47Å; L444-L455 HydrophobicContact CD1-CD2 4.05Å; L448-L455 HydrophobicContact CB-CD2 4.32Å; L448-L455 HydrophobicContact CD1-CD2 3.72Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 PolarHBondContact O-N 2.99Å; L455-S459 WeakPolarHBondContact O-CB 3.22Å; L455-S459 PolarHBondContact O-N 3Å |
| 456 | K | 91.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 44.7 Ų | 44.7 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -38.2 | 172.9 | -77.9 | 169.9 | -164.3 | 161.8 | 0 | 111.6 | Y428 S452 R453 E454 S459 I460 | Y428-K456 WeakPolarHBondContact OH-CG 3.44Å; S452-K456 WeakPolarHBondContact O-CB 3.14Å; S452-K456 WeakPolarHBondContact O-CD 3.44Å; S452-K456 WeakPolarHBondContact O-CE 3.42Å; S452-K456 WeakPolarHBondContact O-CG 3.31Å; R453-K456 WeakPolarHBondContact O-CB 3.37Å; R453-K456 PolarHBondContact O-N 2.86Å; E454-K456 VanDerWaalsContact C-N 3.31Å; E454-K456 PolarHBondContact O-N 3.26Å; K456-S459 PolarHBondContact O-N 3.08Å; K456-I460 WeakPolarHBondContact O-CB 3.29Å; K456-I460 WeakPolarHBondContact O-CD1 3.03Å; K456-I460 WeakPolarHBondContact O-CG1 3.49Å; K456-I460 PolarHBondContact O-N 3.07Å |
| 457 | E | 91.8 | Very high | 90.4 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.6 | -46.4 | 180 | -172.3 | 167.2 | 174.7 | 0 | 0 | 112.1 | R453 E454 S459 I460 R461 | R453-E457 PolarHBondContact O-N 3.16Å; E454-E457 PolarHBondContact O-N 3.3Å; E454-E457 VanDerWaalsContact O-N 3.08Å; E457-S459 VanDerWaalsContact C-N 3.34Å; E457-S459 PolarHBondContact O-N 2.99Å; E457-I460 PolarHBondContact O-N 3.47Å; E457-R461 PolarHBondContact O-N 3.07Å |
| 458 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.9 | -49.9 | 169.4 | 173.9 | 59.9 | 0 | 0 | 0 | 111 | M315 E318 A319 L322 L429 E454 I460 R461 F462 | M315-L458 HydrophobicContact CB-CD1 3.63Å; M315-L458 HydrophobicContact CG-CD1 3.56Å; M315-L458 HydrophobicContact SD-CD1 4.1Å; E318-L458 HydrophobicContact CG-CD2 4.36Å; A319-L458 HydrophobicContact CB-CD2 4.15Å; L322-L458 HydrophobicContact CD1-CB 4.49Å; L322-L458 HydrophobicContact CD1-CD2 3.57Å; L429-L458 HydrophobicContact CD2-CG 4.35Å; E454-L458 PolarHBondContact O-N 3.11Å; L458-I460 VanDerWaalsContact C-N 3.33Å; L458-I460 PolarHBondContact O-N 2.97Å; L458-R461 PolarHBondContact O-N 3.1Å; L458-F462 VanDerWaalsContact O-CB 3.28Å; L458-F462 WeakPolarHBondContact O-CB 3.45Å; L458-F462 PolarHBondContact O-N 2.65Å |
| 459 | S | 92.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 177 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | A432 L455 K456 E457 S463 | A432-S459 WeakPolarHBondContact CB-OG 3.44Å; L455-S459 WeakPolarHBondContact O-CB 3.22Å; L455-S459 PolarHBondContact O-N 3Å; K456-S459 PolarHBondContact O-N 3.08Å; E457-S459 VanDerWaalsContact C-N 3.34Å; E457-S459 PolarHBondContact O-N 2.99Å; S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 3.24Å; S459-S463 PolarHBondContact O-OG 3.25Å |
| 460 | I | 90.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.5 | -38.3 | 179 | -74 | 164.8 | 0 | 0 | 0 | 111.6 | K456 E457 L458 R464 | K456-I460 WeakPolarHBondContact O-CB 3.29Å; K456-I460 WeakPolarHBondContact O-CD1 3.03Å; K456-I460 WeakPolarHBondContact O-CG1 3.49Å; K456-I460 PolarHBondContact O-N 3.07Å; E457-I460 PolarHBondContact O-N 3.47Å; L458-I460 VanDerWaalsContact C-N 3.33Å; L458-I460 PolarHBondContact O-N 2.97Å; I460-R464 WeakPolarHBondContact O-CB 3.21Å; I460-R464 WeakPolarHBondContact O-CD 3.46Å; I460-R464 WeakPolarHBondContact O-CG 3.28Å; I460-R464 PolarHBondContact O-N 3.4Å |
| 461 | R | 91.3 | Very high | 91.7 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.4 | -52 | 173.3 | -82.6 | -175.4 | -85 | 114.1 | 3.6 | 110.9 | M315 E318 E457 L458 R464 L465 | M315-R461 HydrophobicContact SD-CB 4.15Å; E318-R461 IonicContact OE1-CZ 3.32Å; E318-R461 IonicContact OE1-NH2 3.76Å; E318-R461 PolarHBondContact OE1-NH2 3.25Å; E318-R461 IonicContact OE2-CZ 3.47Å; E318-R461 IonicContact OE2-NH1 2.87Å; E318-R461 PolarHBondContact OE2-NH1 3.31Å; E318-R461 IonicContact OE2-NH2 2.72Å; E318-R461 PolarHBondContact OE2-NH2 3.35Å; E457-R461 PolarHBondContact O-N 3.07Å; L458-R461 PolarHBondContact O-N 3.1Å; R461-R464 PolarHBondContact O-N 2.71Å; R461-L465 WeakPolarHBondContact O-CB 3.49Å; R461-L465 PolarHBondContact O-N 2.74Å |
| 462 | F | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -52.7 | -179.9 | -178.1 | -107.4 | 0 | 0 | 0 | 112.5 | I289 L292 F312 M315 L433 L458 R464 L465 V466 | I289-F462 HydrophobicContact CD1-CD1 4.48Å; I289-F462 HydrophobicContact CD1-CE1 3.46Å; I289-F462 VanDerWaalsContact CD1-CE1 3.46Å; I289-F462 HydrophobicContact CD1-CZ 3.6Å; I289-F462 HydrophobicContact CG1-CE1 4.11Å; I289-F462 HydrophobicContact CG1-CZ 4.04Å; L292-F462 HydrophobicContact CD1-CD2 3.79Å; L292-F462 HydrophobicContact CD1-CE2 3.54Å; L292-F462 HydrophobicContact CD1-CG 4.4Å; L292-F462 HydrophobicContact CD1-CZ 3.97Å; L292-F462 HydrophobicContact CD2-CD2 4.24Å; L292-F462 HydrophobicContact CD2-CE2 4.11Å; L292-F462 HydrophobicContact CG-CD2 4.22Å; L292-F462 HydrophobicContact CG-CE2 3.72Å; L292-F462 HydrophobicContact CG-CZ 4.37Å; F312-F462 HydrophobicContact CE1-CD2 4.29Å; F312-F462 AromaticContact CE1-CE2 3.94Å; F312-F462 HydrophobicContact CE1-CE2 3.94Å; M315-F462 HydrophobicContact CE-CD2 3.94Å; M315-F462 HydrophobicContact SD-CB 3.8Å; M315-F462 HydrophobicContact SD-CD2 4.22Å; L433-F462 HydrophobicContact CD1-CE1 3.78Å; L433-F462 HydrophobicContact CD1-CZ 4.37Å; L433-F462 HydrophobicContact CD2-CD1 4.04Å; L433-F462 HydrophobicContact CD2-CE1 3.87Å; L433-F462 HydrophobicContact CG-CD1 4.36Å; L433-F462 HydrophobicContact CG-CE1 3.87Å; L458-F462 VanDerWaalsContact O-CB 3.28Å; L458-F462 WeakPolarHBondContact O-CB 3.45Å; L458-F462 PolarHBondContact O-N 2.65Å; F462-R464 VanDerWaalsContact C-N 3.3Å; F462-R464 PolarHBondContact O-N 2.96Å; F462-L465 PolarHBondContact O-N 2.92Å; F462-V466 HydrophobicContact CD1-CG2 4.37Å; F462-V466 HydrophobicContact CD2-CG2 4.04Å; F462-V466 HydrophobicContact CE1-CG2 4.16Å; F462-V466 HydrophobicContact CE2-CG2 3.81Å; F462-V466 HydrophobicContact CG-CG2 4.33Å; F462-V466 HydrophobicContact CZ-CG2 3.87Å; F462-V466 WeakPolarHBondContact O-CB 3.44Å; F462-V466 VanDerWaalsContact O-CG2 3.3Å; F462-V466 WeakPolarHBondContact O-CG2 3.46Å; F462-V466 PolarHBondContact O-N 3.43Å |
| 463 | S | 91.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -31.5 | -179.8 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | A432 S459 N467 | A432-S463 PolarHBondContact O-OG 3.42Å; S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 3.24Å; S459-S463 PolarHBondContact O-OG 3.25Å; S463-N467 WeakPolarHBondContact O-CB 3.36Å; S463-N467 PolarHBondContact O-N 2.89Å; S463-N467 VanDerWaalsContact O-N 3.09Å; S463-N467 PolarHBondContact O-ND2 2.84Å |
| 464 | R | 89.5 | Confident | 91.9 | Very high | 143 Ų | 143 | 38.5 Ų | 38.5 | 54% | 0.54 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.6 | -49.1 | 173 | -77.5 | 172.6 | -177.1 | 156.2 | 4.9 | 111.6 | I460 R461 F462 N467 Y468 | I460-R464 WeakPolarHBondContact O-CB 3.21Å; I460-R464 WeakPolarHBondContact O-CD 3.46Å; I460-R464 WeakPolarHBondContact O-CG 3.28Å; I460-R464 PolarHBondContact O-N 3.4Å; R461-R464 PolarHBondContact O-N 2.71Å; F462-R464 VanDerWaalsContact C-N 3.3Å; F462-R464 PolarHBondContact O-N 2.96Å; R464-N467 PolarHBondContact O-N 3.08Å; R464-Y468 PolarHBondContact O-N 3.19Å |
| 465 | L | 92.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -54 | -178.8 | -162.9 | 65.5 | 0 | 0 | 0 | 111 | V72 D308 R311 F312 M315 R461 F462 N467 Y468 N469 | V72-L465 HydrophobicContact CG1-CD1 3.3Å; D308-L465 HydrophobicContact CB-CD1 4.4Å; D308-L465 HydrophobicContact CB-CD2 4.24Å; D308-L465 WeakPolarHBondContact OD1-CD1 3.49Å; R311-L465 HydrophobicContact CB-CD2 3.92Å; F312-L465 HydrophobicContact CD2-CD2 3.88Å; F312-L465 HydrophobicContact CE1-CD2 4.38Å; F312-L465 HydrophobicContact CE2-CD2 3.41Å; F312-L465 VanDerWaalsContact CE2-CD2 3.41Å; F312-L465 HydrophobicContact CE2-CG 4.07Å; F312-L465 HydrophobicContact CZ-CD2 3.71Å; F312-L465 HydrophobicContact CZ-CG 4.25Å; M315-L465 HydrophobicContact CE-CD2 3.45Å; M315-L465 VanDerWaalsContact CE-CD2 3.45Å; R461-L465 WeakPolarHBondContact O-CB 3.49Å; R461-L465 PolarHBondContact O-N 2.74Å; F462-L465 PolarHBondContact O-N 2.92Å; L465-N467 VanDerWaalsContact C-N 3.33Å; L465-N467 PolarHBondContact O-N 2.9Å; L465-Y468 PolarHBondContact O-N 3.22Å; L465-N469 WeakPolarHBondContact O-CB 3.24Å; L465-N469 PolarHBondContact O-N 3.31Å |
| 466 | V | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 179.5 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | Y288 F312 L433 F462 K470 | Y288-V466 HydrophobicContact CD1-CB 4.4Å; Y288-V466 HydrophobicContact CD1-CG1 4.18Å; Y288-V466 HydrophobicContact CD1-CG2 3.68Å; Y288-V466 HydrophobicContact CD2-CB 4.49Å; Y288-V466 HydrophobicContact CD2-CG1 3.46Å; Y288-V466 VanDerWaalsContact CD2-CG1 3.46Å; Y288-V466 HydrophobicContact CD2-CG2 4.39Å; Y288-V466 HydrophobicContact CE1-CG1 4.46Å; Y288-V466 HydrophobicContact CE1-CG2 4.31Å; Y288-V466 HydrophobicContact CE2-CG1 3.84Å; Y288-V466 HydrophobicContact CG-CB 4.29Å; Y288-V466 HydrophobicContact CG-CG1 3.67Å; Y288-V466 HydrophobicContact CG-CG2 3.72Å; F312-V466 HydrophobicContact CZ-CG2 4.39Å; L433-V466 HydrophobicContact CD1-CG1 4.21Å; L433-V466 HydrophobicContact CD2-CB 3.8Å; L433-V466 HydrophobicContact CD2-CG1 3.6Å; L433-V466 HydrophobicContact CD2-CG2 4.24Å; F462-V466 HydrophobicContact CD1-CG2 4.37Å; F462-V466 HydrophobicContact CD2-CG2 4.04Å; F462-V466 HydrophobicContact CE1-CG2 4.16Å; F462-V466 HydrophobicContact CE2-CG2 3.81Å; F462-V466 HydrophobicContact CG-CG2 4.33Å; F462-V466 HydrophobicContact CZ-CG2 3.87Å; F462-V466 WeakPolarHBondContact O-CB 3.44Å; F462-V466 VanDerWaalsContact O-CG2 3.3Å; F462-V466 WeakPolarHBondContact O-CG2 3.46Å; F462-V466 PolarHBondContact O-N 3.43Å; V466-K470 HydrophobicContact CG1-CD 3.97Å; V466-K470 VanDerWaalsContact CG1-CE 3.43Å; V466-K470 WeakPolarHBondContact O-CB 3.28Å; V466-K470 WeakPolarHBondContact O-CD 3.41Å; V466-K470 WeakPolarHBondContact O-CG 3.43Å; V466-K470 PolarHBondContact O-N 3.33Å |
| 467 | N | 90.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.3 | -34 | 179.8 | -73.2 | -10.8 | 0 | 0 | 0 | 113.3 | S436 S463 R464 L465 L471 | S436-N467 WeakPolarHBondContact CB-ND2 2.97Å; S436-N467 PolarHBondContact OG-ND2 2.89Å; S463-N467 WeakPolarHBondContact O-CB 3.36Å; S463-N467 PolarHBondContact O-N 2.89Å; S463-N467 VanDerWaalsContact O-N 3.09Å; S463-N467 PolarHBondContact O-ND2 2.84Å; R464-N467 PolarHBondContact O-N 3.08Å; L465-N467 VanDerWaalsContact C-N 3.33Å; L465-N467 PolarHBondContact O-N 2.9Å; N467-L471 WeakPolarHBondContact O-CG 3.45Å; N467-L471 PolarHBondContact O-N 3.29Å |
| 468 | Y | 91.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 171.8 | -173.7 | -95.2 | 0 | 0 | 0 | 111 | H68 M71 V72 M227 S230 V231 E234 R464 L465 K470 L471 V472 | H68-Y468 AromaticContact ND1-CE1 3.72Å; M71-Y468 HydrophobicContact CB-CE2 4.01Å; V72-Y468 HydrophobicContact CG2-CD1 3.33Å; V72-Y468 HydrophobicContact CG2-CE1 3.7Å; V72-Y468 HydrophobicContact CG2-CG 3.83Å; M227-Y468 HydrophobicContact SD-CD2 3.8Å; M227-Y468 HydrophobicContact SD-CE2 3.78Å; S230-Y468 WeakPolarHBondContact CB-OH 3.2Å; S230-Y468 PolarHBondContact OG-OH 3.18Å; V231-Y468 HydrophobicContact CG2-CD2 4.46Å; V231-Y468 HydrophobicContact CG2-CE2 3.92Å; E234-Y468 WeakPolarHBondContact OE2-CE1 3.24Å; E234-Y468 PolarHBondContact OE2-OH 3.09Å; R464-Y468 PolarHBondContact O-N 3.19Å; L465-Y468 PolarHBondContact O-N 3.22Å; Y468-K470 PolarHBondContact O-N 3.11Å; Y468-L471 WeakPolarHBondContact O-CB 3.1Å; Y468-L471 PolarHBondContact O-N 2.77Å; Y468-V472 HydrophobicContact CD1-CG2 4.32Å; Y468-V472 HydrophobicContact CE1-CG2 3.89Å; Y468-V472 PolarHBondContact O-N 2.97Å; Y468-V472 VanDerWaalsContact O-N 3.11Å |
| 469 | N | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.6 | -165.1 | -69 | 0 | 0 | 0 | 111.7 | Y288 T304 L465 L471 V472 F473 Y477 | Y288-N469 PolarHBondContact OH-OD1 2.99Å; T304-N469 PolarHBondContact O-ND2 2.65Å; L465-N469 WeakPolarHBondContact O-CB 3.24Å; L465-N469 PolarHBondContact O-N 3.31Å; N469-L471 VanDerWaalsContact C-N 3.34Å; N469-L471 PolarHBondContact O-N 3.12Å; N469-V472 PolarHBondContact O-N 3.46Å; N469-F473 WeakPolarHBondContact O-CD2 3.48Å; N469-F473 PolarHBondContact O-N 3.02Å; N469-F473 VanDerWaalsContact OD1-CD2 3.26Å; N469-F473 WeakPolarHBondContact OD1-CD2 3.45Å; N469-Y477 PolarHBondContact OD1-OH 2.97Å |
| 470 | K | 91.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 172.2 | -75.3 | 165.1 | 178.3 | 172.5 | 0 | 112.8 | N285 Y288 V466 Y468 V472 S474 | N285-K470 PolarHBondContact OD1-NZ 2.96Å; Y288-K470 HydrophobicContact CE2-CG 4.09Å; V466-K470 HydrophobicContact CG1-CD 3.97Å; V466-K470 VanDerWaalsContact CG1-CE 3.43Å; V466-K470 WeakPolarHBondContact O-CB 3.28Å; V466-K470 WeakPolarHBondContact O-CD 3.41Å; V466-K470 WeakPolarHBondContact O-CG 3.43Å; V466-K470 PolarHBondContact O-N 3.33Å; Y468-K470 PolarHBondContact O-N 3.11Å; K470-V472 VanDerWaalsContact C-N 3.35Å; K470-V472 PolarHBondContact O-N 2.97Å; K470-S474 WeakPolarHBondContact O-CB 3.3Å; K470-S474 PolarHBondContact O-N 3.36Å |
| 471 | L | 90.7 | Very high | 90.8 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 178.1 | -74.2 | 168.8 | 0 | 0 | 0 | 111.8 | V231 R235 N467 Y468 N469 | V231-L471 HydrophobicContact CG1-CB 4.16Å; V231-L471 WeakPolarHBondContact CG1-O 3.48Å; V231-L471 HydrophobicContact CG2-CB 3.89Å; R235-L471 PolarHBondContact NH2-O 3.34Å; N467-L471 WeakPolarHBondContact O-CG 3.45Å; N467-L471 PolarHBondContact O-N 3.29Å; Y468-L471 WeakPolarHBondContact O-CB 3.1Å; Y468-L471 PolarHBondContact O-N 2.77Å; N469-L471 VanDerWaalsContact C-N 3.34Å; N469-L471 PolarHBondContact O-N 3.12Å |
| 472 | V | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -59.6 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | V231 E234 R235 Y468 N469 K470 | V231-V472 HydrophobicContact CG2-CG2 4.21Å; E234-V472 HydrophobicContact CB-CG1 3.98Å; E234-V472 HydrophobicContact CB-CG2 4.24Å; E234-V472 HydrophobicContact CG-CG1 3.86Å; E234-V472 HydrophobicContact CG-CG2 4.36Å; R235-V472 HydrophobicContact CB-CG1 4.25Å; R235-V472 PolarHBondContact NE-O 3.33Å; Y468-V472 HydrophobicContact CD1-CG2 4.32Å; Y468-V472 HydrophobicContact CE1-CG2 3.89Å; Y468-V472 PolarHBondContact O-N 2.97Å; Y468-V472 VanDerWaalsContact O-N 3.11Å; N469-V472 PolarHBondContact O-N 3.46Å; K470-V472 VanDerWaalsContact C-N 3.35Å; K470-V472 PolarHBondContact O-N 2.97Å |
| 473 | F | 92.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -97.7 | -4.6 | -159.6 | -61.4 | -81.5 | 0 | 0 | 0 | 116 | F238 T304 N469 P475 F476 Y477 | F238-F473 HydrophobicContact CB-CE1 4.11Å; F238-F473 AromaticContact CD1-CD1 3.95Å; F238-F473 HydrophobicContact CD1-CD1 3.95Å; F238-F473 AromaticContact CD1-CE1 3.73Å; F238-F473 HydrophobicContact CD1-CE1 3.73Å; F238-F473 AromaticContact CD2-CE1 3.72Å; F238-F473 HydrophobicContact CD2-CE1 3.72Å; F238-F473 HydrophobicContact CD2-CZ 4.49Å; F238-F473 HydrophobicContact CE1-CD1 4.02Å; F238-F473 AromaticContact CE1-CE1 3.96Å; F238-F473 HydrophobicContact CE1-CE1 3.96Å; F238-F473 AromaticContact CE2-CE1 3.97Å; F238-F473 HydrophobicContact CE2-CE1 3.97Å; F238-F473 HydrophobicContact CG-CD1 4.27Å; F238-F473 AromaticContact CG-CE1 3.59Å; F238-F473 HydrophobicContact CG-CE1 3.59Å; F238-F473 HydrophobicContact CZ-CD1 4.44Å; F238-F473 HydrophobicContact CZ-CE1 4.08Å; T304-F473 HydrophobicContact CG2-CB 4.3Å; T304-F473 HydrophobicContact CG2-CD1 3.63Å; T304-F473 HydrophobicContact CG2-CE1 4.16Å; T304-F473 HydrophobicContact CG2-CG 4.03Å; T304-F473 WeakPolarHBondContact O-CE2 3.22Å; N469-F473 WeakPolarHBondContact O-CD2 3.48Å; N469-F473 PolarHBondContact O-N 3.02Å; N469-F473 VanDerWaalsContact OD1-CD2 3.26Å; N469-F473 WeakPolarHBondContact OD1-CD2 3.45Å; F473-P475 VanDerWaalsContact C-N 3.31Å; F473-P475 VanDerWaalsContact O-N 3.13Å; F473-F476 HydrophobicContact CB-CD2 4.12Å; F473-F476 AromaticContact CD1-CD2 3.82Å; F473-F476 HydrophobicContact CD1-CD2 3.82Å; F473-F476 AromaticContact CD1-CE2 3.99Å; F473-F476 HydrophobicContact CD1-CE2 3.99Å; F473-F476 HydrophobicContact CG-CD2 4.44Å; F473-F476 PolarHBondContact O-N 2.87Å; F473-Y477 HydrophobicContact CB-CD2 4.05Å; F473-Y477 HydrophobicContact CB-CE1 4.41Å; F473-Y477 HydrophobicContact CB-CE2 3.47Å; F473-Y477 VanDerWaalsContact CB-CE2 3.47Å; F473-Y477 WeakPolarHBondContact O-CD2 3.48Å; F473-Y477 PolarHBondContact O-N 2.84Å |
| 474 | S | 90.4 | Very high | 89.7 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -45.9 | -41.6 | 179 | 174.9 | 0 | 0 | 0 | 0 | 115.3 | K470 F476 Y477 Q478 | K470-S474 WeakPolarHBondContact O-CB 3.3Å; K470-S474 PolarHBondContact O-N 3.36Å; S474-F476 VanDerWaalsContact C-N 3.32Å; S474-F476 PolarHBondContact O-N 3.1Å; S474-Y477 PolarHBondContact O-N 3.24Å; S474-Q478 WeakPolarHBondContact O-CB 3.21Å; S474-Q478 PolarHBondContact O-N 3.02Å |
| 475 | P | 90.6 | Very high | 89.1 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -37.2 | 177.9 | -25.1 | 36.4 | 0 | 0 | 0 | 113.9 | F473 K479 | F473-P475 VanDerWaalsContact C-N 3.31Å; F473-P475 VanDerWaalsContact O-N 3.13Å; P475-K479 PolarHBondContact O-N 2.89Å |
| 476 | F | 90.7 | Very high | 88 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.1 | -44.7 | 178.3 | -46.7 | -68.2 | 0 | 0 | 0 | 110.8 | R235 F238 L242 F473 S474 Q478 K479 I480 | R235-F476 HydrophobicContact CG-CE2 3.93Å; R235-F476 HydrophobicContact CG-CZ 3.89Å; F238-F476 AromaticContact CD1-CD2 3.97Å; F238-F476 HydrophobicContact CD1-CD2 3.97Å; F238-F476 HydrophobicContact CD1-CE1 4.34Å; F238-F476 AromaticContact CD1-CE2 3.61Å; F238-F476 HydrophobicContact CD1-CE2 3.61Å; F238-F476 HydrophobicContact CD1-CG 4.49Å; F238-F476 AromaticContact CD1-CZ 3.81Å; F238-F476 HydrophobicContact CD1-CZ 3.81Å; F238-F476 HydrophobicContact CE1-CD2 4.19Å; F238-F476 HydrophobicContact CE1-CE2 4.29Å; F238-F476 HydrophobicContact CE1-CG 4.46Å; L242-F476 HydrophobicContact CD1-CD1 3.61Å; L242-F476 HydrophobicContact CD1-CE1 3.6Å; L242-F476 HydrophobicContact CD1-CG 4.41Å; L242-F476 HydrophobicContact CD1-CZ 4.38Å; F473-F476 HydrophobicContact CB-CD2 4.12Å; F473-F476 AromaticContact CD1-CD2 3.82Å; F473-F476 HydrophobicContact CD1-CD2 3.82Å; F473-F476 AromaticContact CD1-CE2 3.99Å; F473-F476 HydrophobicContact CD1-CE2 3.99Å; F473-F476 HydrophobicContact CG-CD2 4.44Å; F473-F476 PolarHBondContact O-N 2.87Å; S474-F476 VanDerWaalsContact C-N 3.32Å; S474-F476 PolarHBondContact O-N 3.1Å; F476-Q478 VanDerWaalsContact C-N 3.33Å; F476-Q478 PolarHBondContact O-N 2.86Å; F476-K479 PolarHBondContact O-N 2.69Å; F476-I480 WeakPolarHBondContact O-CG1 3.14Å; F476-I480 PolarHBondContact O-N 3.44Å |
| 477 | Y | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.5 | -58.9 | -43.3 | 0 | 0 | 0 | 112.3 | T252 W255 L256 H284 Y288 T304 N469 F473 S474 I480 L481 | T252-Y477 HydrophobicContact CG2-CD1 3.95Å; T252-Y477 HydrophobicContact CG2-CE1 3.73Å; W255-Y477 AromaticContact CZ3-CE1 3.89Å; W255-Y477 HydrophobicContact CZ3-CE1 3.89Å; L256-Y477 HydrophobicContact CD1-CD1 4.06Å; H284-Y477 AromaticContact CD2-CD2 3.7Å; H284-Y477 WeakPolarHBondContact NE2-CB 3.03Å; H284-Y477 AromaticContact NE2-CD2 3.41Å; H284-Y477 WeakPolarHBondContact NE2-CD2 3.29Å; H284-Y477 AromaticContact NE2-CG 3.56Å; Y288-Y477 WeakPolarHBondContact OH-CE2 3.27Å; Y288-Y477 PolarHBondContact OH-OH 3.12Å; Y288-Y477 VanDerWaalsContact OH-OH 3.08Å; T304-Y477 WeakPolarHBondContact CB-OH 3.42Å; T304-Y477 HydrophobicContact CG2-CE1 3.85Å; T304-Y477 WeakPolarHBondContact OG1-CE1 3.38Å; T304-Y477 PolarHBondContact OG1-OH 2.85Å; N469-Y477 PolarHBondContact OD1-OH 2.97Å; F473-Y477 HydrophobicContact CB-CD2 4.05Å; F473-Y477 HydrophobicContact CB-CE1 4.41Å; F473-Y477 HydrophobicContact CB-CE2 3.47Å; F473-Y477 VanDerWaalsContact CB-CE2 3.47Å; F473-Y477 WeakPolarHBondContact O-CD2 3.48Å; F473-Y477 PolarHBondContact O-N 2.84Å; S474-Y477 PolarHBondContact O-N 3.24Å; Y477-I480 PolarHBondContact O-N 3.45Å; Y477-L481 WeakPolarHBondContact O-CB 3.49Å; Y477-L481 WeakPolarHBondContact O-CG 3.47Å; Y477-L481 PolarHBondContact O-N 3.38Å |
| 478 | Q | 89 | Confident | 84.4 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | -179 | 174.2 | -8.7 | 0 | 0 | 111.4 | S474 F476 I480 L481 Q482 | S474-Q478 WeakPolarHBondContact O-CB 3.21Å; S474-Q478 PolarHBondContact O-N 3.02Å; F476-Q478 VanDerWaalsContact C-N 3.33Å; F476-Q478 PolarHBondContact O-N 2.86Å; Q478-I480 VanDerWaalsContact C-N 3.33Å; Q478-I480 PolarHBondContact O-N 3.08Å; Q478-L481 PolarHBondContact O-N 3.45Å; Q478-Q482 HydrophobicContact CG-CG 4.5Å; Q478-Q482 WeakPolarHBondContact O-CB 3.49Å; Q478-Q482 VanDerWaalsContact O-CG 3.28Å; Q478-Q482 WeakPolarHBondContact O-CG 3.49Å; Q478-Q482 PolarHBondContact O-N 2.89Å |
| 479 | K | 88.4 | Confident | 82 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 176.5 | -171 | 179.9 | -178 | -179.8 | 0 | 112.1 | P475 F476 N483 | P475-K479 PolarHBondContact O-N 2.89Å; F476-K479 PolarHBondContact O-N 2.69Å; K479-N483 PolarHBondContact O-N 2.86Å |
| 480 | I | 87.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.6 | -50 | 175.8 | -68.5 | 168.4 | 0 | 0 | 0 | 110.8 | L249 T252 K253 L256 F476 Y477 Q478 Q482 N483 I484 | L249-I480 HydrophobicContact CB-CD1 4.4Å; L249-I480 HydrophobicContact CD1-CD1 4.32Å; T252-I480 HydrophobicContact CG2-CD1 3.84Å; K253-I480 HydrophobicContact CG-CD1 4.27Å; K253-I480 HydrophobicContact CG-CG1 4.3Å; K253-I480 HydrophobicContact CG-CG2 4.11Å; L256-I480 HydrophobicContact CB-CG2 4.46Å; L256-I480 HydrophobicContact CD1-CB 4.26Å; L256-I480 HydrophobicContact CD1-CG2 3.76Å; F476-I480 WeakPolarHBondContact O-CG1 3.14Å; F476-I480 PolarHBondContact O-N 3.44Å; Y477-I480 PolarHBondContact O-N 3.45Å; Q478-I480 VanDerWaalsContact C-N 3.33Å; Q478-I480 PolarHBondContact O-N 3.08Å; I480-Q482 VanDerWaalsContact C-N 3.32Å; I480-Q482 PolarHBondContact O-N 3.4Å; I480-N483 PolarHBondContact O-N 3.42Å; I480-I484 HydrophobicContact CG2-CD1 3.53Å; I480-I484 HydrophobicContact CG2-CG1 4.39Å; I480-I484 WeakPolarHBondContact O-CG1 3.46Å; I480-I484 PolarHBondContact O-N 3.45Å; I480-I484 VanDerWaalsContact O-N 3.08Å |
| 481 | L | 86.7 | Confident | 76.8 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.7 | -31.9 | -179 | -72.2 | 175.3 | 0 | 0 | 0 | 113.1 | L256 V260 P280 V283 H284 Y477 Q478 I484 L485 | L256-L481 HydrophobicContact CB-CD2 4.12Å; L256-L481 HydrophobicContact CD1-CD2 4.38Å; L256-L481 HydrophobicContact CD1-CG 4.33Å; L256-L481 HydrophobicContact CD2-CD2 4.38Å; V260-L481 HydrophobicContact CG2-CD2 4.27Å; P280-L481 HydrophobicContact CB-CD1 4.05Å; V283-L481 HydrophobicContact CB-CD2 4.49Å; V283-L481 HydrophobicContact CG1-CD2 3.86Å; H284-L481 VanDerWaalsContact CE1-CD1 3.41Å; H284-L481 WeakPolarHBondContact CE1-CD1 3.4Å; Y477-L481 WeakPolarHBondContact O-CB 3.49Å; Y477-L481 WeakPolarHBondContact O-CG 3.47Å; Y477-L481 PolarHBondContact O-N 3.38Å; Q478-L481 PolarHBondContact O-N 3.45Å; L481-I484 HydrophobicContact CD2-CD1 4.41Å; L481-I484 PolarHBondContact O-N 3.44Å; L481-L485 HydrophobicContact CB-CD1 4.45Å; L481-L485 VanDerWaalsContact O-CB 3.24Å; L481-L485 WeakPolarHBondContact O-CB 3.42Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 3.14Å |
| 482 | Q | 86.1 | Confident | 74.3 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.1 | -52.6 | 170.5 | -77.7 | 169.6 | -34.1 | 0 | 0 | 110.5 | Q478 I480 I484 L485 T486 | Q478-Q482 HydrophobicContact CG-CG 4.5Å; Q478-Q482 WeakPolarHBondContact O-CB 3.49Å; Q478-Q482 VanDerWaalsContact O-CG 3.28Å; Q478-Q482 WeakPolarHBondContact O-CG 3.49Å; Q478-Q482 PolarHBondContact O-N 2.89Å; I480-Q482 VanDerWaalsContact C-N 3.32Å; I480-Q482 PolarHBondContact O-N 3.4Å; Q482-I484 VanDerWaalsContact C-N 3.27Å; Q482-I484 PolarHBondContact O-N 3.2Å; Q482-L485 PolarHBondContact O-N 2.94Å; Q482-T486 PolarHBondContact O-N 2.99Å; Q482-T486 PolarHBondContact O-OG1 3.41Å |
| 483 | N | 84.5 | Confident | 71.6 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 54% | 0.54 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 178.1 | -65.7 | -10.9 | 0 | 0 | 0 | 113.3 | K479 I480 | K479-N483 PolarHBondContact O-N 2.86Å; I480-N483 PolarHBondContact O-N 3.42Å |
| 484 | I | 82.4 | Confident | 69 | Low | 30 Ų | 30 | 81.5 Ų | 81.5 | 15% | 0.154 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -74.9 | -37.6 | 179.3 | -63 | 164.2 | 0 | 0 | 0 | 112 | L256 E257 V260 I480 L481 Q482 | L256-I484 HydrophobicContact CB-CD1 4.03Å; E257-I484 HydrophobicContact CG-CD1 3.54Å; E257-I484 HydrophobicContact CG-CG1 3.74Å; E257-I484 HydrophobicContact CG-CG2 4.38Å; V260-I484 HydrophobicContact CB-CG2 4.3Å; V260-I484 HydrophobicContact CG1-CG2 4.23Å; V260-I484 HydrophobicContact CG2-CG2 4.13Å; I480-I484 HydrophobicContact CG2-CD1 3.53Å; I480-I484 HydrophobicContact CG2-CG1 4.39Å; I480-I484 WeakPolarHBondContact O-CG1 3.46Å; I480-I484 PolarHBondContact O-N 3.45Å; I480-I484 VanDerWaalsContact O-N 3.08Å; L481-I484 HydrophobicContact CD2-CD1 4.41Å; L481-I484 PolarHBondContact O-N 3.44Å; Q482-I484 VanDerWaalsContact C-N 3.27Å; Q482-I484 PolarHBondContact O-N 3.2Å |
| 485 | L | 76.7 | Confident | 66.4 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -88.7 | -22.8 | -174.5 | -64.9 | 173.3 | 0 | 0 | 0 | 113.3 | V260 L278 L481 Q482 | V260-L485 HydrophobicContact CG1-CD2 4.21Å; V260-L485 HydrophobicContact CG2-CD2 4.41Å; L278-L485 HydrophobicContact CB-CD2 4.44Å; L481-L485 HydrophobicContact CB-CD1 4.45Å; L481-L485 VanDerWaalsContact O-CB 3.24Å; L481-L485 WeakPolarHBondContact O-CB 3.42Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 3.14Å; Q482-L485 PolarHBondContact O-N 2.94Å |
| 486 | T | 71.1 | Confident | 65.2 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | trans | -124.8 | 78.5 | 172.9 | 56 | 0 | 0 | 0 | 0 | 111.6 | Q482 G488 | Q482-T486 PolarHBondContact O-N 2.99Å; Q482-T486 PolarHBondContact O-OG1 3.41Å; T486-G488 PolarHBondContact O-N 2.92Å | ||
| 487 | P | 56 | Low | 63.8 | Low | 114 Ų | 114 | 94.8 Ų | 94.8 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 22.2 | -172.6 | -19.1 | 34.5 | 0 | 0 | 0 | 116.3 | ||
| 488 | G | 50.3 | Low | 62.3 | Low | 57 Ų | 57 | 100.1 Ų | 100.1 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | -7.5 | -157.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | T486 | T486-G488 PolarHBondContact O-N 2.92Š|
| 489 | E | 41.5 | Very low | 60.7 | Low | 167 Ų | 167 | 99.9 Ų | 99.9 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -109.6 | -8.8 | -173 | -64.8 | -168.8 | 149.7 | 0 | 0 | 114.9 | S491 | E489-S491 PolarHBondContact O-N 2.96Š|
| 490 | S | 39 | Very low | 59 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 14.8 | -173.6 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 491 | S | 36.6 | Very low | 57.1 | Low | 113 Ų | 113 | 102.8 Ų | 102.8 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | 31.1 | -176.8 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | E489 | E489-S491 PolarHBondContact O-N 2.96Š|
| 492 | G | 38.2 | Very low | 55 | Low | 64 Ų | 64 | 109.9 Ų | 109.9 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -139.6 | 12.3 | -164 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 493 | T | 34.1 | Very low | 52.6 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 84% | 0.84 | 68% | 0.683 | S | S | * | * | trans | -150.9 | 48.8 | -177 | -2.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 494 | E | 38.9 | Very low | 49.9 | Very low | 195 Ų | 195 | 111.4 Ų | 111.4 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | trans | -130.3 | 100.5 | 157.2 | -74.8 | -164.8 | 160.3 | 0 | 0 | 110.9 | ||||
| 495 | T | 34.5 | Very low | 47 | Very low | 217 Ų | 217 | 118.8 Ų | 118.8 | 100% | 1.331 | 74% | 0.744 | S | S | * | * | trans | -151 | 0 | 168.9 | 56.1 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 495 of 495 residues in 1045.4 ms
(Link to these results)