| 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 | 43.4 | Very low | 45 | Very low | 237 Ų | 237 | 149.7 Ų | 149.7 | 100% | 1.167 | 84% | 0.839 | S | S | * | * | 0 | 144.2 | 0 | -80.4 | -178.7 | -71.9 | 0 | 0 | 109 | |||||
| 2 | K | 39 | Very low | 45.3 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | 90.8 | 94.5 | 177.5 | -57 | -174.1 | 176.4 | -175.9 | 0 | 116.4 | ||||
| 3 | S | 42.3 | Very low | 45.7 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -58.1 | 152.5 | 154.7 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 4 | L | 46.6 | Very low | 45.9 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 94% | 0.937 | 83% | 0.831 | S | S | * | * | trans | -153 | 129.9 | 135.9 | -136.2 | 75.4 | 0 | 0 | 0 | 109.5 | ||||
| 5 | A | 46.9 | Very low | 46 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -76.2 | 152 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 6 | L | 44 | Very low | 46.2 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -143.7 | 107.9 | 158.5 | -150 | 75.9 | 0 | 0 | 0 | 111.9 | ||||
| 7 | V | 45.8 | Very low | 46.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | trans | -2.3 | 119 | 156.2 | -172.2 | 0 | 0 | 0 | 0 | 117.3 | L9 | V7-L9 HydrophobicContact CG1-CD1 3.99Š| ||
| 8 | V | 47.6 | Very low | 47 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -84.6 | 111.1 | 161.2 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | L10 | V8-L10 HydrophobicContact CG1-CD1 4.28Å; V8-L10 PolarHBondContact O-N 3.45Å | ||
| 9 | L | 46.9 | Very low | 47.1 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -83.5 | 106 | 168.3 | -125 | 91.9 | 0 | 0 | 0 | 108.5 | V7 C11 | V7-L9 HydrophobicContact CG1-CD1 3.99Å; L9-C11 PolarHBondContact O-N 2.9Å | ||
| 10 | L | 46.4 | Very low | 47.1 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -82.8 | 101 | 168.1 | -96.6 | 130.8 | 0 | 0 | 0 | 109 | V8 L12 | V8-L10 HydrophobicContact CG1-CD1 4.28Å; V8-L10 PolarHBondContact O-N 3.45Å; L10-L12 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | C | 46.3 | Very low | 47.1 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -76.2 | 92.6 | 166.8 | -73.1 | 0 | 0 | 0 | 0 | 109.5 | L9 G13 | L9-C11 PolarHBondContact O-N 2.9Å; C11-G13 VanDerWaalsContact C-N 3.35Å; C11-G13 PolarHBondContact O-N 2.99Å; C11-G13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | L | 48.4 | Very low | 47.5 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 90.1 | 164.2 | -85.4 | 153.9 | 0 | 0 | 0 | 108.8 | L10 C14 | L10-L12 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact O-N 3.15Å; L12-C14 VanDerWaalsContact C-N 3.33Å; L12-C14 PolarHBondContact O-N 3.33Å | ||
| 13 | G | 50.7 | Low | 47.8 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -68.6 | 89.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | C11 G15 | C11-G13 VanDerWaalsContact C-N 3.35Å; C11-G13 PolarHBondContact O-N 2.99Å; C11-G13 VanDerWaalsContact O-N 3.08Å; G13-G15 PolarHBondContact O-N 3.33Å; G13-G15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | C | 48.6 | Very low | 48.1 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -75.1 | 96.5 | 170.5 | -142.7 | 0 | 0 | 0 | 0 | 107.9 | L12 L16 | L12-C14 VanDerWaalsContact C-N 3.33Å; L12-C14 PolarHBondContact O-N 3.33Å; C14-L16 PolarHBondContact O-N 3.21Å | ||
| 15 | G | 47.4 | Very low | 48.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 98.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | G13 M17 | G13-G15 PolarHBondContact O-N 3.33Å; G13-G15 VanDerWaalsContact O-N 3.14Å; G15-M17 VanDerWaalsContact C-N 3.33Å; G15-M17 PolarHBondContact O-N 3.17Å | ||
| 16 | L | 49.3 | Very low | 48.8 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | -69.1 | 91.6 | 170.8 | -73 | 163.2 | 0 | 0 | 0 | 108.5 | C14 S18 | C14-L16 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.25Å | ||
| 17 | M | 54.9 | Low | 49.4 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -60.3 | 99.4 | 156.9 | -72.2 | -75.8 | 95.6 | 0 | 0 | 106.8 | G15 S19 | G15-M17 VanDerWaalsContact C-N 3.33Å; G15-M17 PolarHBondContact O-N 3.17Å; M17-S19 PolarHBondContact O-N 2.89Å | ||
| 18 | S | 51.6 | Low | 50.8 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -71.8 | 85.2 | 174.2 | -54.6 | 0 | 0 | 0 | 0 | 106.4 | L16 S20 | L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.25Å; S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact O-N 3.46Å | ||
| 19 | S | 49.6 | Very low | 52.8 | Low | 82 Ų | 82 | 116.7 Ų | 116.7 | 57% | 0.573 | 70% | 0.701 | S | S | * | * | trans | -65 | 99.2 | 165.6 | -170.4 | 0 | 0 | 0 | 0 | 105.8 | M17 F21 | M17-S19 PolarHBondContact O-N 2.89Å; S19-F21 VanDerWaalsContact O-CD2 3.31Å; S19-F21 WeakPolarHBondContact O-CD2 3.29Å; S19-F21 PolarHBondContact O-N 3.42Å | ||
| 20 | S | 46.5 | Very low | 54.8 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -63 | 89.7 | 168.6 | -61.7 | 0 | 0 | 0 | 0 | 107.1 | S18 V22 | S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact O-N 3.46Å; S20-V22 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3.37Å | ||
| 21 | F | 46.2 | Very low | 57.1 | Low | 171 Ų | 171 | 107.5 Ų | 107.5 | 75% | 0.75 | 66% | 0.656 | S | S | * | * | trans | -62.7 | 101.2 | 159.9 | -67.3 | -81.6 | 0 | 0 | 0 | 105.4 | S19 L23 | S19-F21 VanDerWaalsContact O-CD2 3.31Å; S19-F21 WeakPolarHBondContact O-CD2 3.29Å; S19-F21 PolarHBondContact O-N 3.42Å; F21-L23 PolarHBondContact O-N 3.43Å | ||
| 22 | V | 51.5 | Low | 59.5 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 79% | 0.788 | 62% | 0.618 | S | S | * | * | trans | -59.7 | 99.3 | 161.6 | 179.2 | 0 | 0 | 0 | 0 | 104.4 | S20 A24 | S20-V22 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3.37Å; V22-A24 VanDerWaalsContact C-N 3.26Å; V22-A24 PolarHBondContact O-N 2.99Å | ||
| 23 | L | 46.2 | Very low | 61.9 | Low | 163 Ų | 163 | 95.8 Ų | 95.8 | 85% | 0.853 | 59% | 0.586 | S | S | * | * | trans | -61.8 | 99.1 | 168.6 | -75.4 | 161.7 | 0 | 0 | 0 | 105.1 | F21 S25 | F21-L23 PolarHBondContact O-N 3.43Å; L23-S25 PolarHBondContact O-N 3.4Å | ||
| 24 | A | 49.4 | Very low | 64.2 | Low | 86 Ų | 86 | 92 Ų | 92 | 71% | 0.711 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 119.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | V22 | V22-A24 VanDerWaalsContact C-N 3.26Å; V22-A24 PolarHBondContact O-N 2.99Å |
| 25 | S | 52.3 | Low | 66.6 | Low | 69 Ų | 69 | 86.6 Ų | 86.6 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 130.5 | -177.3 | -173 | 0 | 0 | 0 | 0 | 109.4 | L23 H27 | L23-S25 PolarHBondContact O-N 3.4Å; S25-H27 PolarHBondContact O-N 2.92Å; S25-H27 VanDerWaalsContact O-N 3.08Å |
| 26 | P | 56 | Low | 69 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 117.4 | -176.6 | -3.4 | 13.7 | 0 | 0 | 0 | 109.5 | ||
| 27 | H | 56.4 | Low | 71.3 | Confident | 160 Ų | 160 | 76.4 Ų | 76.4 | 74% | 0.741 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 61.5 | 172.6 | -61.4 | -59.4 | 0 | 0 | 0 | 115.6 | S25 | S25-H27 PolarHBondContact O-N 2.92Å; S25-H27 VanDerWaalsContact O-N 3.08Å |
| 28 | M | 74.8 | Confident | 73.3 | Confident | 95 Ų | 95 | 68 Ų | 68 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | trans | -71.2 | 141.9 | 149.8 | -63.4 | -171.8 | -62.9 | 0 | 0 | 108.3 | ||||
| 29 | W | 89.4 | Confident | 75.5 | Confident | 18 Ų | 18 | 63 Ų | 63 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | trans | -50.6 | 147.9 | 169.5 | 49.5 | -97.8 | 0 | 0 | 0 | 109.9 | L32 P62 D63 C112 A116 L119 | W29-L32 HydrophobicContact CD2-CD2 4.37Å; W29-L32 HydrophobicContact CE3-CD2 4.04Å; W29-L32 HydrophobicContact CE3-CG 4.03Å; W29-L32 HydrophobicContact CH2-CD1 3.83Å; W29-L32 HydrophobicContact CH2-CD2 3.93Å; W29-L32 HydrophobicContact CH2-CG 3.85Å; W29-L32 HydrophobicContact CZ2-CD2 4.22Å; W29-L32 HydrophobicContact CZ3-CD1 3.89Å; W29-L32 HydrophobicContact CZ3-CD2 3.83Å; W29-L32 HydrophobicContact CZ3-CG 3.51Å; W29-P62 HydrophobicContact CB-CB 3.64Å; W29-P62 HydrophobicContact CD2-CB 4.28Å; W29-P62 HydrophobicContact CG-CB 3.6Å; W29-P62 HydrophobicContact CG-CG 4.21Å; W29-D63 VanDerWaalsContact CA-OD1 3.28Å; W29-D63 WeakPolarHBondContact CA-OD1 3.44Å; W29-D63 VanDerWaalsContact CB-OD1 3.22Å; W29-D63 WeakPolarHBondContact CB-OD1 3.2Å; W29-C112 PolarHBondContact NE1-O 3.04Å; W29-A116 HydrophobicContact CH2-CB 3.95Å; W29-A116 HydrophobicContact CZ2-CB 3.46Å; W29-A116 VanDerWaalsContact CZ2-CB 3.46Å; W29-L119 HydrophobicContact CH2-CD1 4.19Å; W29-L119 HydrophobicContact CZ2-CD1 4.1Å | ||
| 30 | S | 89.8 | Confident | 77.7 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -105.3 | -19.8 | -174.5 | 68 | 0 | 0 | 0 | 0 | 112.8 | D63 | S30-D63 PolarHBondContact N-OD1 3.36Å; S30-D63 PolarHBondContact OG-OD2 3.19Å |
| 31 | K | 93.4 | Very high | 80 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.1 | 179.6 | -58.4 | -179 | -170.8 | 178.5 | 0 | 110.2 | D63 F193 N201 E203 | K31-D63 HydrophobicContact CB-CB 4.15Å; K31-D63 PolarHBondContact N-OD1 3.38Å; K31-D63 PolarHBondContact O-N 3.42Å; K31-F193 CarbonylContact C-O 3.5Å; K31-F193 WeakPolarHBondContact CA-O 3.47Å; K31-F193 WeakPolarHBondContact CB-O 3.48Å; K31-N201 PolarHBondContact NZ-O 3.26Å; K31-E203 PolarHBondContact NZ-O 3.08Å |
| 32 | L | 97.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.9 | 163.3 | -65.6 | 165 | 0 | 0 | 0 | 108.6 | W29 L60 W61 P62 L119 C192 F193 F197 | W29-L32 HydrophobicContact CD2-CD2 4.37Å; W29-L32 HydrophobicContact CE3-CD2 4.04Å; W29-L32 HydrophobicContact CE3-CG 4.03Å; W29-L32 HydrophobicContact CH2-CD1 3.83Å; W29-L32 HydrophobicContact CH2-CD2 3.93Å; W29-L32 HydrophobicContact CH2-CG 3.85Å; W29-L32 HydrophobicContact CZ2-CD2 4.22Å; W29-L32 HydrophobicContact CZ3-CD1 3.89Å; W29-L32 HydrophobicContact CZ3-CD2 3.83Å; W29-L32 HydrophobicContact CZ3-CG 3.51Å; L32-L60 HydrophobicContact CB-CD1 3.87Å; L32-L60 HydrophobicContact CD2-CG 4.45Å; L32-W61 CarbonylContact C-O 3.47Å; L32-W61 WeakPolarHBondContact CA-O 3.37Å; L32-P62 HydrophobicContact CD2-CG 4.23Å; L32-L119 HydrophobicContact CD1-CD1 3.81Å; L32-L119 HydrophobicContact CD2-CD1 4.22Å; L32-C192 CarbonylContact O-C 3.51Å; L32-C192 VanDerWaalsContact O-CA 3.26Å; L32-C192 WeakPolarHBondContact O-CA 3.44Å; L32-F193 HydrophobicContact CB-CB 4.42Å; L32-F193 PolarHBondContact N-O 3.44Å; L32-F193 PolarHBondContact O-N 3.03Å; L32-F197 HydrophobicContact CD1-CD1 3.84Å; L32-F197 HydrophobicContact CD1-CE1 3.51Å |
| 33 | I | 98.4 | Very high | 84.3 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 107.1 | -177.5 | -53.3 | 173.6 | 0 | 0 | 0 | 105.7 | T35 L60 W61 D63 E190 | I33-T35 PolarHBondContact O-N 3.16Å; I33-L60 CarbonylContact O-C 3.45Å; I33-L60 WeakPolarHBondContact O-CA 3.39Å; I33-W61 HydrophobicContact CB-CB 4.39Å; I33-W61 PolarHBondContact N-O 3.45Å; I33-W61 PolarHBondContact O-N 3.25Å; I33-D63 HydrophobicContact CD1-CB 4.44Å; I33-E190 HydrophobicContact CG2-CB 3.62Å; I33-E190 HydrophobicContact CG2-CG 3.6Å; I33-E190 WeakPolarHBondContact CG2-OE2 3.4Å |
| 34 | L | 98.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.8 | 171.6 | -167.2 | 80.8 | 0 | 0 | 0 | 108.2 | L57 L60 L132 L136 E190 I191 F193 | L34-L57 HydrophobicContact CD1-CD2 3.64Å; L34-L57 HydrophobicContact CD2-CD2 4.23Å; L34-L57 HydrophobicContact CG-CD2 3.89Å; L34-L60 HydrophobicContact CB-CD1 4.32Å; L34-L60 HydrophobicContact CD1-CB 4.26Å; L34-L60 HydrophobicContact CD1-CD1 3.86Å; L34-L132 HydrophobicContact CD1-CB 4.28Å; L34-L132 HydrophobicContact CD2-CB 4.14Å; L34-L136 HydrophobicContact CD2-CD1 3.42Å; L34-L136 VanDerWaalsContact CD2-CD1 3.42Å; L34-E190 WeakPolarHBondContact O-CA 3.15Å; L34-I191 PolarHBondContact N-O 3.23Å; L34-I191 PolarHBondContact O-N 3.17Å; L34-F193 HydrophobicContact CB-CD2 4.31Å; L34-F193 HydrophobicContact CB-CE2 3.79Å; L34-F193 HydrophobicContact CD2-CE2 4.48Å |
| 35 | T | 98.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.2 | -174.3 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | I33 H58 G59 W61 Q188 E190 | I33-T35 PolarHBondContact O-N 3.16Å; T35-H58 HydrophobicContact CG2-CB 3.81Å; T35-H58 WeakPolarHBondContact O-CB 3.29Å; T35-H58 PolarHBondContact O-N 2.9Å; T35-G59 PolarHBondContact N-O 2.85Å; T35-G59 PolarHBondContact O-N 3.36Å; T35-G59 VanDerWaalsContact O-N 3.11Å; T35-W61 HydrophobicContact CG2-CH2 3.71Å; T35-W61 HydrophobicContact CG2-CZ2 4.22Å; T35-W61 HydrophobicContact CG2-CZ3 3.86Å; T35-W61 VanDerWaalsContact OG1-CE3 3.25Å; T35-W61 WeakPolarHBondContact OG1-CZ3 3.38Å; T35-Q188 HydrophobicContact CG2-CG 3.52Å; T35-Q188 VanDerWaalsContact CG2-NE2 3.26Å; T35-Q188 VanDerWaalsContact CG2-OE1 3.29Å; T35-E190 HydrophobicContact CG2-CG 3.97Å |
| 36 | Q | 98.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.7 | 174.8 | -64.5 | 172.2 | 72.9 | 0 | 0 | 109.2 | W55 T56 L57 Y133 L138 Q188 I189 | Q36-W55 HydrophobicContact CB-CB 4.45Å; Q36-W55 HydrophobicContact CB-CE3 4.13Å; Q36-T56 CarbonylContact C-O 3.55Å; Q36-T56 VanDerWaalsContact CA-O 3.25Å; Q36-T56 WeakPolarHBondContact CA-O 3.36Å; Q36-L57 HydrophobicContact CG-CD2 4.24Å; Q36-Y133 HydrophobicContact CG-CD2 4.11Å; Q36-Y133 HydrophobicContact CG-CE2 4.27Å; Q36-Y133 VanDerWaalsContact OE1-CE2 3.32Å; Q36-L138 HydrophobicContact CB-CD2 4.24Å; Q36-Q188 CarbonylContact O-C 3.48Å; Q36-Q188 VanDerWaalsContact O-CA 3.29Å; Q36-Q188 WeakPolarHBondContact O-CA 3.26Å; Q36-Q188 WeakPolarHBondContact O-CG 3.37Å; Q36-I189 PolarHBondContact N-O 2.9Å; Q36-I189 PolarHBondContact O-N 3.37Å |
| 37 | H | 97.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.6 | 177.9 | 64.8 | -176.4 | 0 | 0 | 0 | 112.1 | P39 F42 T56 H58 L93 G187 Q188 F223 | H37-P39 WeakPolarHBondContact O-CD 3.46Å; H37-F42 AromaticContact ND1-CD2 3.77Å; H37-T56 PolarHBondContact CD2-O 2.61Å; H37-T56 PolarHBondContact CD2-OG1 3.26Å; H37-T56 PolarHBondContact N-O 2.81Å; H37-T56 PolarHBondContact NE2-OG1 3.24Å; H37-T56 PolarHBondContact O-N 3.49Å; H37-T56 VanDerWaalsContact O-N 3.14Å; H37-H58 HydrophobicContact CB-CB 4.47Å; H37-H58 AromaticContact ND1-CG 3.99Å; H37-L93 VanDerWaalsContact NE2-CD1 3.35Å; H37-L93 WeakPolarHBondContact NE2-CD1 3.24Å; H37-G187 CarbonylContact C-O 2.97Å; H37-G187 VanDerWaalsContact CA-O 3.24Å; H37-G187 WeakPolarHBondContact CA-O 3.37Å; H37-G187 WeakPolarHBondContact CB-O 3.47Å; H37-Q188 HydrophobicContact CB-CB 4.38Å; H37-F223 HydrophobicContact CB-CE2 4.2Å |
| 38 | W | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -91.4 | 116.5 | 176.3 | -175.8 | -120.7 | 0 | 0 | 0 | 110.2 | S40 T41 F42 D53 Y54 W55 P149 G187 Y234 P235 | W38-S40 VanDerWaalsContact C-N 3.34Å; W38-S40 PolarHBondContact O-N 3.43Å; W38-T41 PolarHBondContact O-N 3.01Å; W38-F42 PolarHBondContact O-N 2.89Å; W38-D53 VanDerWaalsContact CH2-C 3.42Å; W38-D53 WeakPolarHBondContact CH2-O 3.17Å; W38-Y54 VanDerWaalsContact CZ3-C 3.42Å; W38-W55 HydrophobicContact CB-CE3 4.29Å; W38-W55 HydrophobicContact CB-CH2 3.99Å; W38-W55 HydrophobicContact CB-CZ2 4.25Å; W38-W55 HydrophobicContact CB-CZ3 4.01Å; W38-W55 HydrophobicContact CE3-CD2 4.2Å; W38-W55 HydrophobicContact CE3-CG 4.16Å; W38-W55 AromaticContact CE3-NE1 3.98Å; W38-P149 HydrophobicContact CH2-CG 3.63Å; W38-P149 HydrophobicContact CZ2-CB 4.24Å; W38-P149 HydrophobicContact CZ2-CG 3.49Å; W38-P149 VanDerWaalsContact CZ2-CG 3.49Å; W38-G187 PolarHBondContact N-O 2.88Å; W38-Y234 AromaticContact CD1-CE2 4Å; W38-Y234 HydrophobicContact CD2-CD2 4.43Å; W38-Y234 AromaticContact CD2-CE2 3.5Å; W38-Y234 HydrophobicContact CD2-CE2 3.5Å; W38-Y234 VanDerWaalsContact CD2-CE2 3.5Å; W38-Y234 AromaticContact CE2-CE2 3.49Å; W38-Y234 VanDerWaalsContact CE2-CE2 3.49Å; W38-Y234 AromaticContact CE3-CE2 3.8Å; W38-Y234 HydrophobicContact CE3-CE2 3.8Å; W38-Y234 HydrophobicContact CG-CD2 4.44Å; W38-Y234 AromaticContact CG-CE2 3.86Å; W38-Y234 HydrophobicContact CG-CE2 3.86Å; W38-Y234 HydrophobicContact CH2-CE2 4.13Å; W38-Y234 WeakPolarHBondContact CH2-OH 3.4Å; W38-Y234 AromaticContact CZ2-CE2 3.85Å; W38-Y234 HydrophobicContact CZ2-CE2 3.85Å; W38-Y234 HydrophobicContact CZ3-CE2 4.08Å; W38-Y234 WeakPolarHBondContact CZ3-OH 3.24Å; W38-Y234 AromaticContact NE1-CE2 3.77Å; W38-P235 PolarHBondContact NE1-O 3.08Å | ||
| 39 | P | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | -172.8 | -29 | 35.5 | 0 | 0 | 0 | 114.5 | H37 T41 F42 C43 P50 F52 Y54 T56 L93 | H37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-T41 VanDerWaalsContact C-N 3.28Å; P39-T41 PolarHBondContact O-N 3.08Å; P39-F42 PolarHBondContact O-N 2.85Å; P39-C43 WeakPolarHBondContact O-CB 3.42Å; P39-C43 PolarHBondContact O-N 3.44Å; P39-P50 HydrophobicContact CB-CB 4.29Å; P39-F52 HydrophobicContact CB-CB 4.5Å; P39-F52 HydrophobicContact CG-CB 3.96Å; P39-Y54 WeakPolarHBondContact CD-O 3.31Å; P39-T56 HydrophobicContact CG-CG2 4.13Å; P39-L93 HydrophobicContact CB-CD1 3.96Å; P39-L93 HydrophobicContact CB-CD2 4.18Å; P39-L93 HydrophobicContact CG-CD1 4.28Å; P39-L93 HydrophobicContact CG-CD2 4.33Å |
| 40 | S | 95.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | W38 S44 | W38-S40 VanDerWaalsContact C-N 3.34Å; W38-S40 PolarHBondContact O-N 3.43Å; S40-S44 PolarHBondContact O-N 3.04Å |
| 41 | T | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.7 | -44.8 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | W38 P39 C43 S44 I176 I185 L186 F223 P235 | W38-T41 PolarHBondContact O-N 3.01Å; P39-T41 VanDerWaalsContact C-N 3.28Å; P39-T41 PolarHBondContact O-N 3.08Å; T41-C43 PolarHBondContact O-N 3.06Å; T41-S44 WeakPolarHBondContact O-CB 3.4Å; T41-S44 PolarHBondContact O-N 3.27Å; T41-S44 VanDerWaalsContact O-N 3.08Å; T41-S44 PolarHBondContact O-OG 2.87Å; T41-I176 HydrophobicContact CG2-CD1 3.29Å; T41-I176 HydrophobicContact CG2-CG1 3.72Å; T41-I185 HydrophobicContact CG2-CB 4.22Å; T41-I185 HydrophobicContact CG2-CG2 3.68Å; T41-L186 VanDerWaalsContact CB-O 3.29Å; T41-L186 WeakPolarHBondContact CB-O 3.29Å; T41-L186 WeakPolarHBondContact CG2-O 3.45Å; T41-L186 PolarHBondContact OG1-O 3.47Å; T41-F223 HydrophobicContact CG2-CE1 3.84Å; T41-P235 WeakPolarHBondContact OG1-CG 3.3Å |
| 42 | F | 94.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -51.7 | 175.5 | 178.9 | -92.2 | 0 | 0 | 0 | 111.8 | H37 W38 P39 S44 M45 E46 L93 I94 F223 | H37-F42 AromaticContact ND1-CD2 3.77Å; W38-F42 PolarHBondContact O-N 2.89Å; P39-F42 PolarHBondContact O-N 2.85Å; F42-S44 PolarHBondContact O-N 3.45Å; F42-S44 VanDerWaalsContact O-N 3.09Å; F42-M45 PolarHBondContact O-N 2.94Å; F42-E46 HydrophobicContact CD1-CB 4.42Å; F42-E46 HydrophobicContact CD1-CG 4.38Å; F42-E46 HydrophobicContact CE1-CB 3.99Å; F42-E46 HydrophobicContact CE1-CG 3.83Å; F42-E46 HydrophobicContact CE2-CG 4.11Å; F42-E46 HydrophobicContact CZ-CB 4.36Å; F42-E46 HydrophobicContact CZ-CG 3.69Å; F42-E46 PolarHBondContact O-N 3.07Å; F42-E46 VanDerWaalsContact O-N 3.1Å; F42-L93 HydrophobicContact CB-CD1 3.97Å; F42-L93 HydrophobicContact CD1-CB 3.76Å; F42-L93 HydrophobicContact CD1-CD1 3.53Å; F42-L93 HydrophobicContact CD1-CG 4.27Å; F42-L93 HydrophobicContact CE1-CB 3.74Å; F42-L93 HydrophobicContact CE1-CD1 4.22Å; F42-L93 HydrophobicContact CG-CD1 3.86Å; F42-I94 HydrophobicContact CE1-CD1 4.27Å; F42-I94 HydrophobicContact CE1-CG1 3.81Å; F42-I94 HydrophobicContact CZ-CD1 4.11Å; F42-I94 HydrophobicContact CZ-CG1 4.12Å; F42-F223 HydrophobicContact CB-CZ 4.27Å; F42-F223 HydrophobicContact CD2-CE2 4.26Å; F42-F223 HydrophobicContact CD2-CZ 4.48Å |
| 43 | C | 93.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -2.4 | 177.9 | -69.9 | 0 | 0 | 0 | 0 | 114.6 | P39 T41 C48 P50 | P39-C43 WeakPolarHBondContact O-CB 3.42Å; P39-C43 PolarHBondContact O-N 3.44Å; T41-C43 PolarHBondContact O-N 3.06Å; C43-C48 WeakPolarHBondContact CA-SG 3.43Å; C43-C48 HydrophobicContact CB-CB 4.16Å; C43-C48 WeakPolarHBondContact CB-O 3.3Å; C43-C48 WeakPolarHBondContact CB-SG 3.27Å; C43-C48 WeakPolarHBondContact SG-CB 3.24Å; C43-C48 CovalentContact SG-SG 2.05Å; C43-C48 PolarHBondContact SG-SG 3.15Å; C43-P50 HydrophobicContact CB-CB 4.27Å; C43-P50 HydrophobicContact CB-CG 4.48Å |
| 44 | S | 92 | Very high | 93.5 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 49% | 0.49 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.9 | -20.3 | 167.3 | 79 | 0 | 0 | 0 | 0 | 112.8 | S40 T41 F42 | S40-S44 PolarHBondContact O-N 3.04Å; T41-S44 WeakPolarHBondContact O-CB 3.4Å; T41-S44 PolarHBondContact O-N 3.27Å; T41-S44 VanDerWaalsContact O-N 3.08Å; T41-S44 PolarHBondContact O-OG 2.87Å; F42-S44 PolarHBondContact O-N 3.45Å; F42-S44 VanDerWaalsContact O-N 3.09Å |
| 45 | M | 90.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -96.3 | -29.9 | 174.4 | -60.2 | -173.6 | -67 | 0 | 0 | 112.3 | F42 I176 F223 | F42-M45 PolarHBondContact O-N 2.94Å; M45-I176 HydrophobicContact CE-CD1 3.83Å; M45-I176 HydrophobicContact CE-CG1 4.07Å; M45-I176 HydrophobicContact CG-CD1 3.28Å; M45-I176 HydrophobicContact CG-CG1 4.16Å; M45-I176 HydrophobicContact SD-CD1 3.3Å; M45-I176 WeakPolarHBondContact SD-CD1 3.44Å; M45-I176 HydrophobicContact SD-CG1 3.5Å; M45-I176 WeakPolarHBondContact SD-CG1 3.47Å; M45-I176 HydrophobicContact SD-CG2 4.39Å; M45-F223 HydrophobicContact CE-CD1 3.86Å; M45-F223 HydrophobicContact CE-CD2 4.33Å; M45-F223 HydrophobicContact CE-CE1 3.38Å; M45-F223 HydrophobicContact CE-CE2 3.94Å; M45-F223 HydrophobicContact CE-CG 4.3Å; M45-F223 HydrophobicContact CE-CZ 3.44Å; M45-F223 VanDerWaalsContact CE-CZ 3.44Å |
| 46 | E | 89.1 | Confident | 93.4 | Very high | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 162.9 | -175.1 | -64.8 | -58.7 | 157.4 | 0 | 0 | 112.7 | F42 C48 I94 | F42-E46 HydrophobicContact CD1-CB 4.42Å; F42-E46 HydrophobicContact CD1-CG 4.38Å; F42-E46 HydrophobicContact CE1-CB 3.99Å; F42-E46 HydrophobicContact CE1-CG 3.83Å; F42-E46 HydrophobicContact CE2-CG 4.11Å; F42-E46 HydrophobicContact CZ-CB 4.36Å; F42-E46 HydrophobicContact CZ-CG 3.69Å; F42-E46 PolarHBondContact O-N 3.07Å; F42-E46 VanDerWaalsContact O-N 3.1Å; E46-C48 PolarHBondContact O-N 2.65Å; E46-I94 HydrophobicContact CB-CD1 4.4Å; E46-I94 HydrophobicContact CG-CD1 4.32Å |
| 47 | H | 85.4 | Confident | 93.4 | Very high | 184 Ų | 184 | 42.4 Ų | 42.4 | 85% | 0.852 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 69.8 | 176.6 | -64 | 81 | 0 | 0 | 0 | 110.6 | ||
| 48 | C | 89.4 | Confident | 93.5 | Very high | 21 Ų | 21 | 44 Ų | 44 | 14% | 0.142 | 22% | 0.222 | C | C | . | . | trans | -140.4 | 162.9 | 173.7 | 56 | 0 | 0 | 0 | 0 | 112.8 | C43 E46 L93 | C43-C48 WeakPolarHBondContact CA-SG 3.43Å; C43-C48 HydrophobicContact CB-CB 4.16Å; C43-C48 WeakPolarHBondContact CB-O 3.3Å; C43-C48 WeakPolarHBondContact CB-SG 3.27Å; C43-C48 WeakPolarHBondContact SG-CB 3.24Å; C43-C48 CovalentContact SG-SG 2.05Å; C43-C48 PolarHBondContact SG-SG 3.15Å; E46-C48 PolarHBondContact O-N 2.65Å; C48-L93 WeakPolarHBondContact CB-O 2.86Å | ||
| 49 | D | 88.6 | Confident | 93.5 | Very high | 129 Ų | 129 | 44 Ų | 44 | 69% | 0.69 | 22% | 0.222 | S | C | * | . | trans | -102.2 | 126.1 | 169.3 | -72 | -43.1 | 0 | 0 | 0 | 108.8 | K51 | D49-K51 PolarHBondContact O-N 2.79Š| ||
| 50 | P | 87.9 | Confident | 93.6 | Very high | 22 Ų | 22 | 44 Ų | 44 | 14% | 0.143 | 22% | 0.222 | C | C | . | . | trans | -69.6 | 124.3 | 179.1 | 31.2 | -35.3 | 0 | 0 | 0 | 109.4 | P39 C43 L237 | P39-P50 HydrophobicContact CB-CB 4.29Å; C43-P50 HydrophobicContact CB-CB 4.27Å; C43-P50 HydrophobicContact CB-CG 4.48Å; P50-L237 HydrophobicContact CB-CD1 3.62Å; P50-L237 HydrophobicContact CG-CD1 3.85Å; P50-L237 WeakPolarHBondContact O-CD1 3.31Å | ||
| 51 | K | 89.5 | Confident | 93.7 | Very high | 142 Ų | 142 | 45.1 Ų | 45.1 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | trans | -106.7 | -16.2 | -179.1 | -64.5 | -177.1 | -176.2 | 175.9 | 0 | 113.8 | D49 | D49-K51 PolarHBondContact O-N 2.79Š| ||
| 52 | F | 92.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | trans | -113.9 | 132.7 | -172.8 | -52.4 | -79.4 | 0 | 0 | 0 | 109.5 | P39 Y54 T56 P91 L93 | P39-F52 HydrophobicContact CB-CB 4.5Å; P39-F52 HydrophobicContact CG-CB 3.96Å; F52-Y54 HydrophobicContact CB-CD1 4.39Å; F52-Y54 HydrophobicContact CB-CE1 4.12Å; F52-Y54 HydrophobicContact CB-CE2 4.29Å; F52-Y54 AromaticContact CD1-CE1 3.88Å; F52-Y54 HydrophobicContact CD1-CE1 3.88Å; F52-Y54 HydrophobicContact CD1-CE2 4.2Å; F52-Y54 AromaticContact CD1-CZ 3.48Å; F52-Y54 VanDerWaalsContact CD1-CZ 3.48Å; F52-Y54 WeakPolarHBondContact CD1-OH 3.12Å; F52-Y54 WeakPolarHBondContact CE1-OH 3.22Å; F52-Y54 HydrophobicContact CG-CE1 4.48Å; F52-T56 HydrophobicContact CB-CG2 4.19Å; F52-T56 HydrophobicContact CD2-CG2 4.3Å; F52-T56 HydrophobicContact CG-CG2 4.22Å; F52-P91 HydrophobicContact CD2-CG 3.99Å; F52-P91 HydrophobicContact CE2-CB 3.69Å; F52-P91 HydrophobicContact CE2-CG 3.48Å; F52-P91 VanDerWaalsContact CE2-CG 3.48Å; F52-P91 HydrophobicContact CZ-CB 3.79Å; F52-P91 HydrophobicContact CZ-CG 3.8Å; F52-L93 HydrophobicContact CD2-CD2 3.7Å; F52-L93 HydrophobicContact CE2-CD2 3.9Å | ||
| 53 | D | 94 | Very high | 93.7 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -104.6 | 30.5 | 177.3 | 59.7 | -8.9 | 0 | 0 | 0 | 112.1 | W38 L237 K240 | W38-D53 VanDerWaalsContact CH2-C 3.42Å; W38-D53 WeakPolarHBondContact CH2-O 3.17Å; D53-L237 HydrophobicContact CB-CB 4.5Å; D53-L237 HydrophobicContact CB-CD2 4.37Å; D53-K240 IonicContact OD2-NZ 2.65Å; D53-K240 PolarHBondContact OD2-NZ 3.43Å |
| 54 | Y | 96.7 | Very high | 93.6 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -141.2 | 160.3 | 175.1 | 54.2 | -96.5 | 0 | 0 | 0 | 109.5 | W38 P39 F52 T56 K88 W89 D139 | W38-Y54 VanDerWaalsContact CZ3-C 3.42Å; P39-Y54 WeakPolarHBondContact CD-O 3.31Å; F52-Y54 HydrophobicContact CB-CD1 4.39Å; F52-Y54 HydrophobicContact CB-CE1 4.12Å; F52-Y54 HydrophobicContact CB-CE2 4.29Å; F52-Y54 AromaticContact CD1-CE1 3.88Å; F52-Y54 HydrophobicContact CD1-CE1 3.88Å; F52-Y54 HydrophobicContact CD1-CE2 4.2Å; F52-Y54 AromaticContact CD1-CZ 3.48Å; F52-Y54 VanDerWaalsContact CD1-CZ 3.48Å; F52-Y54 WeakPolarHBondContact CD1-OH 3.12Å; F52-Y54 WeakPolarHBondContact CE1-OH 3.22Å; F52-Y54 HydrophobicContact CG-CE1 4.48Å; Y54-T56 HydrophobicContact CD2-CG2 4.09Å; Y54-T56 HydrophobicContact CE2-CG2 3.78Å; Y54-T56 PolarHBondContact O-N 2.97Å; Y54-K88 WeakPolarHBondContact CE2-O 3.45Å; Y54-K88 PolarHBondContact OH-O 3.41Å; Y54-W89 AromaticContact CD2-CE3 3.86Å; Y54-W89 HydrophobicContact CD2-CE3 3.86Å; Y54-W89 AromaticContact CD2-CZ3 3.74Å; Y54-W89 HydrophobicContact CD2-CZ3 3.74Å; Y54-W89 HydrophobicContact CE1-CZ3 4.28Å; Y54-W89 AromaticContact CE2-CE3 3.35Å; Y54-W89 HydrophobicContact CE2-CE3 3.35Å; Y54-W89 AromaticContact CE2-CZ3 3.47Å; Y54-W89 HydrophobicContact CE2-CZ3 3.47Å; Y54-W89 VanDerWaalsContact CE2-CZ3 3.47Å; Y54-W89 HydrophobicContact CG-CZ3 4.25Å; Y54-W89 AromaticContact CZ-CE3 3.9Å; Y54-W89 AromaticContact CZ-CZ3 3.74Å; Y54-D139 WeakPolarHBondContact CA-OD1 3.32Å |
| 55 | W | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 125.4 | 175.6 | -72.7 | 86 | 0 | 0 | 0 | 111 | Q36 W38 Y133 L138 M142 L186 I189 Y234 | Q36-W55 HydrophobicContact CB-CB 4.45Å; Q36-W55 HydrophobicContact CB-CE3 4.13Å; W38-W55 HydrophobicContact CB-CE3 4.29Å; W38-W55 HydrophobicContact CB-CH2 3.99Å; W38-W55 HydrophobicContact CB-CZ2 4.25Å; W38-W55 HydrophobicContact CB-CZ3 4.01Å; W38-W55 HydrophobicContact CE3-CD2 4.2Å; W38-W55 HydrophobicContact CE3-CG 4.16Å; W38-W55 AromaticContact CE3-NE1 3.98Å; W55-Y133 WeakPolarHBondContact O-CE2 3.49Å; W55-Y133 PolarHBondContact O-OH 3.31Å; W55-L138 HydrophobicContact CD2-CD2 4.28Å; W55-L138 HydrophobicContact CE3-CD2 4.49Å; W55-L138 HydrophobicContact CG-CD2 4.36Å; W55-M142 HydrophobicContact CZ2-CE 4.03Å; W55-M142 HydrophobicContact CZ2-SD 4.09Å; W55-M142 PolarHBondContact NE1-SD 2.85Å; W55-L186 HydrophobicContact CH2-CD1 4.18Å; W55-L186 HydrophobicContact CH2-CD2 4.06Å; W55-L186 HydrophobicContact CH2-CG 3.8Å; W55-L186 HydrophobicContact CZ2-CD2 3.71Å; W55-L186 HydrophobicContact CZ2-CG 3.97Å; W55-I189 HydrophobicContact CH2-CB 4.46Å; W55-I189 HydrophobicContact CH2-CD1 3.6Å; W55-I189 HydrophobicContact CH2-CG1 3.71Å; W55-I189 HydrophobicContact CZ2-CD1 3.66Å; W55-I189 HydrophobicContact CZ2-CG1 4.31Å; W55-I189 HydrophobicContact CZ3-CB 4.28Å; W55-I189 HydrophobicContact CZ3-CD1 4.2Å; W55-I189 HydrophobicContact CZ3-CG1 4.02Å; W55-Y234 HydrophobicContact CZ2-CE2 4.21Å; W55-Y234 AromaticContact NE1-CZ 3.78Å; W55-Y234 PolarHBondContact NE1-OH 3.35Å; W55-Y234 VanDerWaalsContact NE1-OH 3.12Å |
| 56 | T | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 152 | 176.1 | 50 | 0 | 0 | 0 | 0 | 110.7 | Q36 H37 P39 F52 Y54 H58 P91 | Q36-T56 CarbonylContact C-O 3.55Å; Q36-T56 VanDerWaalsContact CA-O 3.25Å; Q36-T56 WeakPolarHBondContact CA-O 3.36Å; H37-T56 PolarHBondContact CD2-O 2.61Å; H37-T56 PolarHBondContact CD2-OG1 3.26Å; H37-T56 PolarHBondContact N-O 2.81Å; H37-T56 PolarHBondContact NE2-OG1 3.24Å; H37-T56 PolarHBondContact O-N 3.49Å; H37-T56 VanDerWaalsContact O-N 3.14Å; P39-T56 HydrophobicContact CG-CG2 4.13Å; F52-T56 HydrophobicContact CB-CG2 4.19Å; F52-T56 HydrophobicContact CD2-CG2 4.3Å; F52-T56 HydrophobicContact CG-CG2 4.22Å; Y54-T56 HydrophobicContact CD2-CG2 4.09Å; Y54-T56 HydrophobicContact CE2-CG2 3.78Å; Y54-T56 PolarHBondContact O-N 2.97Å; T56-H58 PolarHBondContact O-N 3.41Å; T56-P91 HydrophobicContact CG2-CG 3.68Å |
| 57 | L | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 129.9 | 169.8 | -78.7 | 168.3 | 0 | 0 | 0 | 110.1 | L34 Q36 W89 W90 L130 Y133 | L34-L57 HydrophobicContact CD1-CD2 3.64Å; L34-L57 HydrophobicContact CD2-CD2 4.23Å; L34-L57 HydrophobicContact CG-CD2 3.89Å; Q36-L57 HydrophobicContact CG-CD2 4.24Å; L57-W89 WeakPolarHBondContact CB-O 3.42Å; L57-W89 PolarHBondContact N-O 3.46Å; L57-W90 HydrophobicContact CB-CB 3.79Å; L57-W90 HydrophobicContact CB-CD2 3.77Å; L57-W90 HydrophobicContact CB-CE3 4.41Å; L57-W90 HydrophobicContact CB-CG 3.46Å; L57-W90 VanDerWaalsContact CB-CG 3.46Å; L57-W90 HydrophobicContact CD1-CB 4.05Å; L57-W90 HydrophobicContact CD1-CD2 3.96Å; L57-W90 HydrophobicContact CD1-CE3 3.77Å; L57-W90 HydrophobicContact CD1-CG 4.12Å; L57-W90 HydrophobicContact CG-CD2 4.47Å; L57-W90 HydrophobicContact CG-CG 4.45Å; L57-L130 HydrophobicContact CD1-CD2 4Å; L57-Y133 HydrophobicContact CD1-CD2 4.14Å; L57-Y133 HydrophobicContact CD1-CG 3.91Å; L57-Y133 HydrophobicContact CD2-CD2 3.75Å; L57-Y133 HydrophobicContact CD2-CG 4.19Å; L57-Y133 HydrophobicContact CG-CD2 3.49Å; L57-Y133 VanDerWaalsContact CG-CD2 3.49Å; L57-Y133 HydrophobicContact CG-CE2 4.16Å; L57-Y133 HydrophobicContact CG-CG 3.81Å |
| 58 | H | 97.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -47 | 160.7 | -172.5 | 172.2 | 0 | 0 | 0 | 108.9 | T35 H37 T56 W61 W90 F101 Q188 | T35-H58 HydrophobicContact CG2-CB 3.81Å; T35-H58 WeakPolarHBondContact O-CB 3.29Å; T35-H58 PolarHBondContact O-N 2.9Å; H37-H58 HydrophobicContact CB-CB 4.47Å; H37-H58 AromaticContact ND1-CG 3.99Å; T56-H58 PolarHBondContact O-N 3.41Å; H58-W61 AromaticContact CD2-CZ2 3.67Å; H58-W61 AromaticContact CE1-CH2 3.68Å; H58-W61 AromaticContact CE1-CZ2 3.77Å; H58-W61 AromaticContact CG-CZ2 3.82Å; H58-W61 AromaticContact ND1-CH2 3.74Å; H58-W61 AromaticContact ND1-CZ2 3.86Å; H58-W61 AromaticContact NE2-CZ2 3.66Å; H58-W90 VanDerWaalsContact C-NE1 3.34Å; H58-W90 PolarHBondContact O-NE1 3.46Å; H58-F101 AromaticContact CD2-CZ 3.75Å; H58-F101 VanDerWaalsContact O-CZ 3.24Å; H58-F101 WeakPolarHBondContact O-CZ 3.34Å; H58-Q188 PolarHBondContact ND1-OE1 3.45Å |
| 59 | G | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 165.7 | -170 | 0 | 0 | 0 | 0 | 0 | 117.2 | T35 W90 E105 | T35-G59 PolarHBondContact N-O 2.85Å; T35-G59 PolarHBondContact O-N 3.36Å; T35-G59 VanDerWaalsContact O-N 3.11Å; G59-W90 VanDerWaalsContact CA-CZ2 3.49Å; G59-E105 WeakPolarHBondContact CA-OE2 3.47Å |
| 60 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 99.1 | 165.5 | 178 | 66.3 | 0 | 0 | 0 | 108.9 | L32 I33 L34 Y125 A129 L132 | L32-L60 HydrophobicContact CB-CD1 3.87Å; L32-L60 HydrophobicContact CD2-CG 4.45Å; I33-L60 CarbonylContact O-C 3.45Å; I33-L60 WeakPolarHBondContact O-CA 3.39Å; L34-L60 HydrophobicContact CB-CD1 4.32Å; L34-L60 HydrophobicContact CD1-CB 4.26Å; L34-L60 HydrophobicContact CD1-CD1 3.86Å; L60-Y125 HydrophobicContact CB-CE2 4.07Å; L60-Y125 HydrophobicContact CD2-CD2 4.39Å; L60-Y125 HydrophobicContact CD2-CE2 4.23Å; L60-Y125 HydrophobicContact CG-CE2 4.31Å; L60-Y125 VanDerWaalsContact O-CE2 3.31Å; L60-Y125 WeakPolarHBondContact O-CE2 3.37Å; L60-Y125 PolarHBondContact O-OH 3.03Å; L60-A129 HydrophobicContact CB-CB 3.79Å; L60-A129 HydrophobicContact CD2-CB 3.86Å; L60-A129 HydrophobicContact CG-CB 4.41Å; L60-L132 HydrophobicContact CD1-CD1 4.09Å; L60-L132 HydrophobicContact CD2-CD1 4.47Å |
| 61 | W | 98 | Very high | 95.7 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.6 | -165.5 | -54.7 | -24.2 | 0 | 0 | 0 | 112.7 | L32 I33 T35 H58 E105 H109 | L32-W61 CarbonylContact C-O 3.47Å; L32-W61 WeakPolarHBondContact CA-O 3.37Å; I33-W61 HydrophobicContact CB-CB 4.39Å; I33-W61 PolarHBondContact N-O 3.45Å; I33-W61 PolarHBondContact O-N 3.25Å; T35-W61 HydrophobicContact CG2-CH2 3.71Å; T35-W61 HydrophobicContact CG2-CZ2 4.22Å; T35-W61 HydrophobicContact CG2-CZ3 3.86Å; T35-W61 VanDerWaalsContact OG1-CE3 3.25Å; T35-W61 WeakPolarHBondContact OG1-CZ3 3.38Å; H58-W61 AromaticContact CD2-CZ2 3.67Å; H58-W61 AromaticContact CE1-CH2 3.68Å; H58-W61 AromaticContact CE1-CZ2 3.77Å; H58-W61 AromaticContact CG-CZ2 3.82Å; H58-W61 AromaticContact ND1-CH2 3.74Å; H58-W61 AromaticContact ND1-CZ2 3.86Å; H58-W61 AromaticContact NE2-CZ2 3.66Å; W61-E105 PolarHBondContact NE1-OE2 3.03Å; W61-H109 AromaticContact CD1-CD2 3.31Å; W61-H109 AromaticContact CD1-CE1 3.87Å; W61-H109 AromaticContact CD1-CG 3.24Å; W61-H109 AromaticContact CD1-ND1 3.63Å; W61-H109 AromaticContact CD1-NE2 3.76Å; W61-H109 AromaticContact CE2-NE2 3.88Å; W61-H109 HydrophobicContact CG-CB 4.45Å; W61-H109 AromaticContact CG-CE1 3.89Å; W61-H109 AromaticContact CG-CG 3.86Å; W61-H109 AromaticContact CG-ND1 3.75Å; W61-H109 AromaticContact NE1-CD2 3.25Å; W61-H109 PolarHBondContact NE1-CD2 3.33Å; W61-H109 VanDerWaalsContact NE1-CD2 3.25Å; W61-H109 AromaticContact NE1-CG 3.73Å; W61-H109 AromaticContact NE1-NE2 3.55Å |
| 62 | P | 96.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 138.8 | 159.9 | -29.4 | 40.2 | 0 | 0 | 0 | 111.8 | W29 L32 K64 C112 A113 | W29-P62 HydrophobicContact CB-CB 3.64Å; W29-P62 HydrophobicContact CD2-CB 4.28Å; W29-P62 HydrophobicContact CG-CB 3.6Å; W29-P62 HydrophobicContact CG-CG 4.21Å; L32-P62 HydrophobicContact CD2-CG 4.23Å; P62-K64 PolarHBondContact O-N 2.9Å; P62-C112 HydrophobicContact CB-CB 4.39Å; P62-C112 HydrophobicContact CG-CB 3.91Å; P62-A113 HydrophobicContact CG-CB 3.83Å |
| 63 | D | 93.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -63.6 | -19.2 | 174.6 | 69.8 | -36.7 | 0 | 0 | 0 | 113.3 | W29 S30 K31 I33 | W29-D63 VanDerWaalsContact CA-OD1 3.28Å; W29-D63 WeakPolarHBondContact CA-OD1 3.44Å; W29-D63 VanDerWaalsContact CB-OD1 3.22Å; W29-D63 WeakPolarHBondContact CB-OD1 3.2Å; S30-D63 PolarHBondContact N-OD1 3.36Å; S30-D63 PolarHBondContact OG-OD2 3.19Å; K31-D63 HydrophobicContact CB-CB 4.15Å; K31-D63 PolarHBondContact N-OD1 3.38Å; K31-D63 PolarHBondContact O-N 3.42Å; I33-D63 HydrophobicContact CD1-CB 4.44Å |
| 64 | K | 91.9 | Very high | 96.6 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -138.8 | 141.5 | -179.1 | -64.3 | 177.1 | -173.1 | 173.9 | 0 | 111.7 | P62 | P62-K64 PolarHBondContact O-N 2.9Š|
| 65 | G | 91.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | trans | 89.2 | 144.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 66 | Q | 94.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -140.7 | 150.8 | 171.9 | -66.9 | -177.5 | -10.3 | 0 | 0 | 108.1 | C68 K108 C112 | Q66-C68 PolarHBondContact O-N 3.26Å; Q66-C68 VanDerWaalsContact O-N 3.16Å; Q66-K108 CarbonylContact C-O 3.5Å; Q66-K108 WeakPolarHBondContact CA-O 3.33Å; Q66-K108 HydrophobicContact CB-CG 4.39Å; Q66-K108 HydrophobicContact CG-CG 4.49Å; Q66-C112 VanDerWaalsContact C-SG 3.59Å; Q66-C112 VanDerWaalsContact CA-SG 3.59Å; Q66-C112 PolarHBondContact N-SG 3.46Å |
| 67 | E | 95.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 59 Ų | 59 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 52.3 | 40.2 | 174.9 | -59.8 | 179.9 | -167.1 | 0 | 0 | 113.4 | N69 Q107 K108 | E67-N69 PolarHBondContact O-N 3.15Å; E67-Q107 WeakPolarHBondContact CA-O 3.42Å; E67-K108 PolarHBondContact N-O 3.27Å |
| 68 | C | 96.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | trans | -67.2 | -13 | -169.2 | -66.2 | 0 | 0 | 0 | 0 | 114.9 | Q66 T111 C112 | Q66-C68 PolarHBondContact O-N 3.26Å; Q66-C68 VanDerWaalsContact O-N 3.16Å; C68-T111 PolarHBondContact N-OG1 2.86Å; C68-T111 VanDerWaalsContact N-OG1 3.16Å; C68-C112 HydrophobicContact CB-CB 3.86Å; C68-C112 WeakPolarHBondContact CB-SG 3.46Å; C68-C112 PolarHBondContact N-SG 2.78Å; C68-C112 VanDerWaalsContact N-SG 3.39Å; C68-C112 WeakPolarHBondContact SG-CA 3.29Å; C68-C112 WeakPolarHBondContact SG-CB 3.1Å; C68-C112 CovalentContact SG-SG 2.03Å; C68-C112 PolarHBondContact SG-SG 2.05Å | ||
| 69 | N | 96.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | trans | -150.6 | 90.5 | 174.4 | -169.8 | -17.3 | 0 | 0 | 0 | 111.6 | E67 S71 W72 T111 | E67-N69 PolarHBondContact O-N 3.15Å; N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 PolarHBondContact OD1-N 2.82Å; N69-S71 VanDerWaalsContact OD1-N 3.16Å; N69-W72 HydrophobicContact CB-CB 4.14Å; N69-W72 PolarHBondContact O-N 3.49Å; N69-W72 PolarHBondContact OD1-N 2.83Å; N69-T111 HydrophobicContact CB-CG2 4.17Å; N69-T111 PolarHBondContact N-OG1 3.44Å; N69-T111 WeakPolarHBondContact O-CG2 3.42Å | ||
| 70 | S | 95.1 | Very high | 96.7 | Very high | 99 Ų | 99 | 67.3 Ų | 67.3 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.7 | 179.4 | 59 | 0 | 0 | 0 | 0 | 114.5 | H73 | S70-H73 PolarHBondContact O-CE1 3.41Š|
| 71 | S | 97.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 72.4 Ų | 72.4 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.1 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | N69 H73 | N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 PolarHBondContact OD1-N 2.82Å; N69-S71 VanDerWaalsContact OD1-N 3.16Å; S71-H73 PolarHBondContact O-N 2.63Å |
| 72 | W | 98 | Very high | 96.8 | Very high | 85 Ų | 85 | 71.7 Ų | 71.7 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -97.4 | 77.3 | -179 | -164.5 | -1.6 | 0 | 0 | 0 | 111 | N69 W106 T111 A114 N120 | N69-W72 HydrophobicContact CB-CB 4.14Å; N69-W72 PolarHBondContact O-N 3.49Å; N69-W72 PolarHBondContact OD1-N 2.83Å; W72-W106 HydrophobicContact CD2-CH2 4.35Å; W72-W106 AromaticContact CD2-CZ2 3.55Å; W72-W106 HydrophobicContact CD2-CZ2 3.55Å; W72-W106 AromaticContact CE2-CZ2 3.53Å; W72-W106 HydrophobicContact CE3-CH2 4.39Å; W72-W106 AromaticContact CE3-CZ2 3.9Å; W72-W106 HydrophobicContact CE3-CZ2 3.9Å; W72-W106 AromaticContact CG-CZ2 3.96Å; W72-W106 HydrophobicContact CG-CZ2 3.96Å; W72-W106 HydrophobicContact CH2-CH2 4.1Å; W72-W106 HydrophobicContact CH2-CZ2 4.24Å; W72-W106 HydrophobicContact CZ2-CH2 4.02Å; W72-W106 AromaticContact CZ2-CZ2 3.91Å; W72-W106 HydrophobicContact CZ2-CZ2 3.91Å; W72-W106 HydrophobicContact CZ3-CH2 4.28Å; W72-W106 HydrophobicContact CZ3-CZ2 4.23Å; W72-W106 AromaticContact NE1-CZ2 3.86Å; W72-W106 PolarHBondContact O-NE1 3.37Å; W72-T111 HydrophobicContact CB-CG2 4.39Å; W72-A114 HydrophobicContact CE3-CB 4.45Å; W72-A114 HydrophobicContact CH2-CB 3.82Å; W72-A114 HydrophobicContact CZ3-CB 3.51Å; W72-N120 WeakPolarHBondContact CH2-O 3.26Å |
| 73 | H | 98.3 | Very high | 96.8 | Very high | 120 Ų | 120 | 73 Ų | 73 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | trans | -66 | 147.1 | -177.6 | -54.9 | -57.4 | 0 | 0 | 0 | 112.7 | S70 S71 Q122 | S70-H73 PolarHBondContact O-CE1 3.41Å; S71-H73 PolarHBondContact O-N 2.63Å; H73-Q122 PolarHBondContact O-NE2 3.47Å | ||
| 74 | F | 98.6 | Very high | 97 | Very high | 24 Ų | 24 | 75.9 Ų | 75.9 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | trans | -61 | 140.5 | 170.8 | 177 | -110 | 0 | 0 | 0 | 110.4 | V76 I79 W102 Q103 W106 F126 | F74-V76 HydrophobicContact CE1-CB 3.86Å; F74-V76 HydrophobicContact CE1-CG2 4.41Å; F74-V76 HydrophobicContact CZ-CB 4.07Å; F74-V76 HydrophobicContact CZ-CG2 4.35Å; F74-I79 HydrophobicContact CE2-CD1 3.87Å; F74-I79 HydrophobicContact CE2-CG1 4.46Å; F74-I79 HydrophobicContact CZ-CD1 3.79Å; F74-I79 HydrophobicContact CZ-CG1 4.38Å; F74-W102 HydrophobicContact CE1-CB 4.46Å; F74-W102 HydrophobicContact CE2-CB 4.25Å; F74-W102 HydrophobicContact CZ-CB 3.96Å; F74-W102 HydrophobicContact CZ-CE3 4.45Å; F74-Q103 HydrophobicContact CB-CB 3.94Å; F74-Q103 HydrophobicContact CB-CG 3.91Å; F74-Q103 HydrophobicContact CD1-CB 3.69Å; F74-Q103 HydrophobicContact CD1-CG 4.41Å; F74-Q103 HydrophobicContact CE1-CB 4.49Å; F74-Q103 HydrophobicContact CG-CB 4.01Å; F74-W106 HydrophobicContact CB-CB 4.25Å; F74-W106 HydrophobicContact CB-CG 4.21Å; F74-W106 HydrophobicContact CD2-CB 3.96Å; F74-W106 HydrophobicContact CD2-CG 4.2Å; F74-W106 HydrophobicContact CG-CB 4.47Å; F74-F126 AromaticContact CD2-CE2 3.93Å; F74-F126 HydrophobicContact CD2-CE2 3.93Å; F74-F126 HydrophobicContact CD2-CZ 4.29Å; F74-F126 HydrophobicContact CE2-CD2 4.42Å; F74-F126 AromaticContact CE2-CE2 3.58Å; F74-F126 HydrophobicContact CE2-CE2 3.58Å; F74-F126 AromaticContact CE2-CZ 3.96Å; F74-F126 HydrophobicContact CE2-CZ 3.96Å | ||
| 75 | N | 98.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | trans | -139.1 | 104 | 175.3 | -178.4 | -0.4 | 0 | 0 | 0 | 109.2 | T77 L78 Q122 | N75-T77 PolarHBondContact ND2-OG1 3Å; N75-T77 PolarHBondContact O-N 3.12Å; N75-T77 PolarHBondContact OD1-N 2.85Å; N75-T77 PolarHBondContact OD1-OG1 2.8Å; N75-L78 HydrophobicContact CB-CD1 4.01Å; N75-L78 HydrophobicContact CB-CG 4.07Å; N75-L78 WeakPolarHBondContact O-CB 3.19Å; N75-L78 PolarHBondContact O-N 3.12Å; N75-Q122 PolarHBondContact O-OE1 2.94Å | ||
| 76 | V | 97.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -55.8 | -26.3 | -180 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | F74 L78 I79 L83 | F74-V76 HydrophobicContact CE1-CB 3.86Å; F74-V76 HydrophobicContact CE1-CG2 4.41Å; F74-V76 HydrophobicContact CZ-CB 4.07Å; F74-V76 HydrophobicContact CZ-CG2 4.35Å; V76-L78 PolarHBondContact O-N 3.01Å; V76-I79 WeakPolarHBondContact O-CG1 3.5Å; V76-I79 PolarHBondContact O-N 3.34Å; V76-I79 VanDerWaalsContact O-N 3.17Å; V76-L83 HydrophobicContact CG2-CD1 4.3Å; V76-L83 HydrophobicContact CG2-CD2 3.83Å |
| 77 | T | 98.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -67.6 | -20 | 179.8 | 72.7 | 0 | 0 | 0 | 0 | 113 | N75 I79 Q80 | N75-T77 PolarHBondContact ND2-OG1 3Å; N75-T77 PolarHBondContact O-N 3.12Å; N75-T77 PolarHBondContact OD1-N 2.85Å; N75-T77 PolarHBondContact OD1-OG1 2.8Å; T77-I79 VanDerWaalsContact C-N 3.28Å; T77-I79 PolarHBondContact O-N 2.79Å; T77-Q80 WeakPolarHBondContact O-CG 3.29Å |
| 78 | L | 98.6 | Very high | 97.8 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -80.2 | -8 | 177.9 | -59 | 179.6 | 0 | 0 | 0 | 113.5 | N75 V76 H123 | N75-L78 HydrophobicContact CB-CD1 4.01Å; N75-L78 HydrophobicContact CB-CG 4.07Å; N75-L78 WeakPolarHBondContact O-CB 3.19Å; N75-L78 PolarHBondContact O-N 3.12Å; V76-L78 PolarHBondContact O-N 3.01Å; L78-H123 PolarHBondContact O-CD2 2.85Å |
| 79 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -129.1 | 21.7 | -177.3 | 65.9 | 160.9 | 0 | 0 | 0 | 112.6 | F74 V76 T77 D81 L82 L83 M86 Q122 F126 | F74-I79 HydrophobicContact CE2-CD1 3.87Å; F74-I79 HydrophobicContact CE2-CG1 4.46Å; F74-I79 HydrophobicContact CZ-CD1 3.79Å; F74-I79 HydrophobicContact CZ-CG1 4.38Å; V76-I79 WeakPolarHBondContact O-CG1 3.5Å; V76-I79 PolarHBondContact O-N 3.34Å; V76-I79 VanDerWaalsContact O-N 3.17Å; T77-I79 VanDerWaalsContact C-N 3.28Å; T77-I79 PolarHBondContact O-N 2.79Å; I79-D81 PolarHBondContact O-N 2.81Å; I79-L82 HydrophobicContact CB-CB 4.38Å; I79-L82 HydrophobicContact CB-CD1 4.19Å; I79-L82 HydrophobicContact CB-CG 4.49Å; I79-L82 HydrophobicContact CG2-CD1 4.3Å; I79-L82 WeakPolarHBondContact O-CA 3.15Å; I79-L82 WeakPolarHBondContact O-CB 3.44Å; I79-L82 PolarHBondContact O-N 3.45Å; I79-L83 HydrophobicContact CD1-CD2 4.13Å; I79-L83 HydrophobicContact CG1-CD2 4.17Å; I79-L83 PolarHBondContact O-N 2.74Å; I79-M86 HydrophobicContact CD1-CE 4.38Å; I79-Q122 HydrophobicContact CG2-CB 4.19Å; I79-F126 HydrophobicContact CD1-CD2 4.25Å; I79-F126 HydrophobicContact CG2-CD2 3.99Å |
| 80 | Q | 98.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -55.4 | -38.6 | -173.3 | -75.8 | 178.1 | -5.7 | 0 | 0 | 113.4 | T77 L82 L83 | T77-Q80 WeakPolarHBondContact O-CG 3.29Å; Q80-L82 VanDerWaalsContact C-N 3.27Å; Q80-L82 PolarHBondContact O-N 3.12Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 PolarHBondContact O-N 2.93Å |
| 81 | D | 98.6 | Very high | 98 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -67.8 | -25.9 | 177.7 | 61 | -53.9 | 0 | 0 | 0 | 112.9 | I79 H123 | I79-D81 PolarHBondContact O-N 2.81Å; D81-H123 IonicContact OD1-CD2 3.44Å; D81-H123 PolarHBondContact OD1-CD2 2.78Å; D81-H123 IonicContact OD1-NE2 3.63Å; D81-H123 PolarHBondContact OD1-NE2 2.85Å; D81-H123 IonicContact OD2-CD2 3.52Å; D81-H123 IonicContact OD2-CE1 3.33Å; D81-H123 IonicContact OD2-NE2 3.22Å; D81-H123 PolarHBondContact OD2-NE2 2.83Å |
| 82 | L | 98.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -85.5 | -16.7 | 178.2 | -53.8 | -179.1 | 0 | 0 | 0 | 112.9 | I79 Q80 P84 D85 M86 F126 L130 | I79-L82 HydrophobicContact CB-CB 4.38Å; I79-L82 HydrophobicContact CB-CD1 4.19Å; I79-L82 HydrophobicContact CB-CG 4.49Å; I79-L82 HydrophobicContact CG2-CD1 4.3Å; I79-L82 WeakPolarHBondContact O-CA 3.15Å; I79-L82 WeakPolarHBondContact O-CB 3.44Å; I79-L82 PolarHBondContact O-N 3.45Å; Q80-L82 VanDerWaalsContact C-N 3.27Å; Q80-L82 PolarHBondContact O-N 3.12Å; L82-P84 VanDerWaalsContact C-CD 3.47Å; L82-D85 PolarHBondContact O-N 2.67Å; L82-M86 HydrophobicContact CB-CG 4.05Å; L82-M86 VanDerWaalsContact O-CG 3.32Å; L82-M86 WeakPolarHBondContact O-CG 3.46Å; L82-M86 PolarHBondContact O-N 2.77Å; L82-F126 HydrophobicContact CD1-CB 3.92Å; L82-L130 HydrophobicContact CB-CD1 4.23Å |
| 83 | L | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.5 | -41.8 | -171.5 | -66.2 | 179.5 | 0 | 0 | 0 | 115 | V76 I79 Q80 D85 M86 Q87 W102 | V76-L83 HydrophobicContact CG2-CD1 4.3Å; V76-L83 HydrophobicContact CG2-CD2 3.83Å; I79-L83 HydrophobicContact CD1-CD2 4.13Å; I79-L83 HydrophobicContact CG1-CD2 4.17Å; I79-L83 PolarHBondContact O-N 2.74Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 PolarHBondContact O-N 2.93Å; L83-D85 PolarHBondContact O-N 2.91Å; L83-M86 PolarHBondContact O-N 2.69Å; L83-Q87 WeakPolarHBondContact O-CB 3.46Å; L83-Q87 VanDerWaalsContact O-CG 3.22Å; L83-Q87 WeakPolarHBondContact O-CG 3.4Å; L83-Q87 PolarHBondContact O-N 3.44Å; L83-W102 HydrophobicContact CD2-CE3 4.34Å; L83-W102 HydrophobicContact CD2-CH2 4.16Å; L83-W102 HydrophobicContact CD2-CZ3 3.57Å |
| 84 | P | 97.5 | Very high | 97.2 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.9 | -36.3 | 177 | -24.4 | 35.6 | 0 | 0 | 0 | 112.8 | L82 K88 | L82-P84 VanDerWaalsContact C-CD 3.47Å; P84-K88 PolarHBondContact O-N 3.27Å |
| 85 | D | 98 | Very high | 96.8 | Very high | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -80.8 | -40.5 | -178.7 | -147.2 | 46.3 | 0 | 0 | 0 | 110.9 | L82 L83 Q87 K88 W89 L130 H134 | L82-D85 PolarHBondContact O-N 2.67Å; L83-D85 PolarHBondContact O-N 2.91Å; D85-Q87 PolarHBondContact O-N 2.74Å; D85-K88 PolarHBondContact O-N 3.28Å; D85-K88 VanDerWaalsContact O-N 3.13Å; D85-W89 VanDerWaalsContact O-CD1 3.26Å; D85-W89 PolarHBondContact O-N 3.43Å; D85-W89 PolarHBondContact OD1-NE1 2.91Å; D85-L130 HydrophobicContact CB-CD1 4.07Å; D85-L130 HydrophobicContact CB-CD2 4.47Å; D85-H134 IonicContact OD1-CE1 2.77Å; D85-H134 IonicContact OD1-NE2 3.84Å; D85-H134 PolarHBondContact OD1-NE2 3.27Å; D85-H134 IonicContact OD2-CD2 2.79Å; D85-H134 IonicContact OD2-CE1 2.67Å; D85-H134 IonicContact OD2-NE2 3.41Å; D85-H134 PolarHBondContact OD2-NE2 3.39Å |
| 86 | M | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 172 | -68 | -70.1 | -70.8 | 0 | 0 | 111.8 | I79 L82 L83 K88 W90 W102 F126 L130 | I79-M86 HydrophobicContact CD1-CE 4.38Å; L82-M86 HydrophobicContact CB-CG 4.05Å; L82-M86 VanDerWaalsContact O-CG 3.32Å; L82-M86 WeakPolarHBondContact O-CG 3.46Å; L82-M86 PolarHBondContact O-N 2.77Å; L83-M86 PolarHBondContact O-N 2.69Å; M86-K88 PolarHBondContact O-N 2.93Å; M86-W90 HydrophobicContact CE-CB 4.47Å; M86-W90 HydrophobicContact CE-CD2 4.3Å; M86-W90 HydrophobicContact CE-CE3 4.04Å; M86-W90 HydrophobicContact CE-CG 4.49Å; M86-W90 CarbonylContact O-C 3.49Å; M86-W90 VanDerWaalsContact O-CA 3.27Å; M86-W90 WeakPolarHBondContact O-CA 3.42Å; M86-W90 PolarHBondContact O-N 3.39Å; M86-W90 HydrophobicContact SD-CB 4.34Å; M86-W90 HydrophobicContact SD-CE3 3.9Å; M86-W102 HydrophobicContact CB-CH2 3.85Å; M86-W102 HydrophobicContact CB-CZ2 3.55Å; M86-W102 HydrophobicContact CB-CZ3 4.49Å; M86-W102 HydrophobicContact CE-CB 4.2Å; M86-W102 VanDerWaalsContact CE-CD1 3.42Å; M86-W102 HydrophobicContact CE-CD2 3.62Å; M86-W102 HydrophobicContact CE-CE3 4.37Å; M86-W102 HydrophobicContact CE-CG 3.49Å; M86-W102 VanDerWaalsContact CE-CG 3.49Å; M86-W102 HydrophobicContact CE-CZ2 4.46Å; M86-F126 HydrophobicContact CE-CB 4.41Å; M86-F126 HydrophobicContact CE-CD1 3.26Å; M86-F126 HydrophobicContact CE-CE1 3.62Å; M86-F126 HydrophobicContact CE-CG 3.96Å; M86-F126 HydrophobicContact SD-CB 4.09Å; M86-F126 HydrophobicContact SD-CD1 3.89Å; M86-F126 HydrophobicContact SD-CG 4.29Å; M86-L130 HydrophobicContact CG-CD1 4.07Å; M86-L130 HydrophobicContact SD-CD1 3.78Å; M86-L130 HydrophobicContact SD-CD2 4.32Å; M86-L130 HydrophobicContact SD-CG 4.14Å |
| 87 | Q | 96.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -28.1 | 178.4 | -73.9 | 171.4 | 0.1 | 0 | 0 | 113.2 | L83 D85 W102 | L83-Q87 WeakPolarHBondContact O-CB 3.46Å; L83-Q87 VanDerWaalsContact O-CG 3.22Å; L83-Q87 WeakPolarHBondContact O-CG 3.4Å; L83-Q87 PolarHBondContact O-N 3.44Å; D85-Q87 PolarHBondContact O-N 2.74Å; Q87-W102 HydrophobicContact CG-CH2 3.96Å; Q87-W102 HydrophobicContact CG-CZ2 4.43Å |
| 88 | K | 96.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -90 | -43.2 | -176.2 | -172 | 175.2 | 176.7 | -169.1 | 0 | 112.5 | Y54 P84 D85 M86 | Y54-K88 WeakPolarHBondContact CE2-O 3.45Å; Y54-K88 PolarHBondContact OH-O 3.41Å; P84-K88 PolarHBondContact O-N 3.27Å; D85-K88 PolarHBondContact O-N 3.28Å; D85-K88 VanDerWaalsContact O-N 3.13Å; M86-K88 PolarHBondContact O-N 2.93Å |
| 89 | W | 98 | Very high | 94.9 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -112.6 | -20.8 | -169.1 | -51.1 | 113.8 | 0 | 0 | 0 | 113.9 | Y54 L57 D85 L130 Y133 H134 | Y54-W89 AromaticContact CD2-CE3 3.86Å; Y54-W89 HydrophobicContact CD2-CE3 3.86Å; Y54-W89 AromaticContact CD2-CZ3 3.74Å; Y54-W89 HydrophobicContact CD2-CZ3 3.74Å; Y54-W89 HydrophobicContact CE1-CZ3 4.28Å; Y54-W89 AromaticContact CE2-CE3 3.35Å; Y54-W89 HydrophobicContact CE2-CE3 3.35Å; Y54-W89 AromaticContact CE2-CZ3 3.47Å; Y54-W89 HydrophobicContact CE2-CZ3 3.47Å; Y54-W89 VanDerWaalsContact CE2-CZ3 3.47Å; Y54-W89 HydrophobicContact CG-CZ3 4.25Å; Y54-W89 AromaticContact CZ-CE3 3.9Å; Y54-W89 AromaticContact CZ-CZ3 3.74Å; L57-W89 WeakPolarHBondContact CB-O 3.42Å; L57-W89 PolarHBondContact N-O 3.46Å; D85-W89 VanDerWaalsContact O-CD1 3.26Å; D85-W89 PolarHBondContact O-N 3.43Å; D85-W89 PolarHBondContact OD1-NE1 2.91Å; W89-L130 HydrophobicContact CB-CD2 4.28Å; W89-Y133 HydrophobicContact CB-CD1 4Å; W89-Y133 HydrophobicContact CB-CE1 3.63Å; W89-Y133 AromaticContact CD2-CE1 3.75Å; W89-Y133 HydrophobicContact CD2-CE1 3.75Å; W89-Y133 AromaticContact CE3-CE1 3.67Å; W89-Y133 HydrophobicContact CE3-CE1 3.67Å; W89-Y133 AromaticContact CE3-CZ 3.92Å; W89-Y133 VanDerWaalsContact CE3-OH 3.3Å; W89-Y133 HydrophobicContact CG-CD1 4.29Å; W89-Y133 AromaticContact CG-CE1 3.76Å; W89-Y133 HydrophobicContact CG-CE1 3.76Å; W89-Y133 HydrophobicContact CZ3-CE1 4.48Å; W89-H134 AromaticContact CD1-CE1 3.46Å; W89-H134 VanDerWaalsContact CD1-CE1 3.46Å; W89-H134 AromaticContact CD1-NE2 3.69Å; W89-H134 AromaticContact CE2-CE1 3.7Å; W89-H134 AromaticContact CG-CE1 3.95Å; W89-H134 AromaticContact NE1-CE1 3.31Å; W89-H134 PolarHBondContact NE1-CE1 2.92Å; W89-H134 VanDerWaalsContact NE1-CE1 3.31Å; W89-H134 AromaticContact NE1-NE2 3.83Å |
| 90 | W | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -122.8 | 47.1 | 173.1 | -155.7 | -17.4 | 0 | 0 | 0 | 112 | L57 H58 G59 M86 F101 W102 E105 Y125 F126 A129 | L57-W90 HydrophobicContact CB-CB 3.79Å; L57-W90 HydrophobicContact CB-CD2 3.77Å; L57-W90 HydrophobicContact CB-CE3 4.41Å; L57-W90 HydrophobicContact CB-CG 3.46Å; L57-W90 VanDerWaalsContact CB-CG 3.46Å; L57-W90 HydrophobicContact CD1-CB 4.05Å; L57-W90 HydrophobicContact CD1-CD2 3.96Å; L57-W90 HydrophobicContact CD1-CE3 3.77Å; L57-W90 HydrophobicContact CD1-CG 4.12Å; L57-W90 HydrophobicContact CG-CD2 4.47Å; L57-W90 HydrophobicContact CG-CG 4.45Å; H58-W90 VanDerWaalsContact C-NE1 3.34Å; H58-W90 PolarHBondContact O-NE1 3.46Å; G59-W90 VanDerWaalsContact CA-CZ2 3.49Å; M86-W90 HydrophobicContact CE-CB 4.47Å; M86-W90 HydrophobicContact CE-CD2 4.3Å; M86-W90 HydrophobicContact CE-CE3 4.04Å; M86-W90 HydrophobicContact CE-CG 4.49Å; M86-W90 CarbonylContact O-C 3.49Å; M86-W90 VanDerWaalsContact O-CA 3.27Å; M86-W90 WeakPolarHBondContact O-CA 3.42Å; M86-W90 PolarHBondContact O-N 3.39Å; M86-W90 HydrophobicContact SD-CB 4.34Å; M86-W90 HydrophobicContact SD-CE3 3.9Å; W90-F101 AromaticContact CD1-CE1 3.53Å; W90-F101 AromaticContact NE1-CE1 3.51Å; W90-F101 AromaticContact NE1-CZ 3.9Å; W90-W102 PolarHBondContact O-NE1 3.14Å; W90-E105 HydrophobicContact CZ2-CB 4.17Å; W90-E105 HydrophobicContact CZ2-CG 4.08Å; W90-Y125 HydrophobicContact CH2-CE1 4Å; W90-F126 HydrophobicContact CE3-CD1 4.03Å; W90-F126 AromaticContact CH2-CD1 3.92Å; W90-F126 HydrophobicContact CH2-CD1 3.92Å; W90-F126 HydrophobicContact CH2-CE1 4.01Å; W90-F126 HydrophobicContact CZ2-CE1 4.43Å; W90-F126 AromaticContact CZ3-CD1 3.52Å; W90-F126 HydrophobicContact CZ3-CD1 3.52Å; W90-F126 HydrophobicContact CZ3-CE1 4.05Å; W90-A129 HydrophobicContact CE3-CB 4.12Å; W90-A129 HydrophobicContact CH2-CB 3.89Å; W90-A129 HydrophobicContact CZ3-CB 3.28Å |
| 91 | P | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | trans | -66.3 | 149.5 | -177.2 | 30.5 | -36.9 | 0 | 0 | 0 | 111.8 | F52 T56 L93 | F52-P91 HydrophobicContact CD2-CG 3.99Å; F52-P91 HydrophobicContact CE2-CB 3.69Å; F52-P91 HydrophobicContact CE2-CG 3.48Å; F52-P91 VanDerWaalsContact CE2-CG 3.48Å; F52-P91 HydrophobicContact CZ-CB 3.79Å; F52-P91 HydrophobicContact CZ-CG 3.8Å; T56-P91 HydrophobicContact CG2-CG 3.68Å; P91-L93 HydrophobicContact CG-CD2 3.89Å; P91-L93 PolarHBondContact O-N 3.04Å | ||
| 92 | D | 94.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | trans | -71.8 | 116 | 154.5 | -177.6 | -17.8 | 0 | 0 | 0 | 108.6 | I94 T95 P96 F101 | D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 WeakPolarHBondContact OD1-CA 3.49Å; D92-I94 PolarHBondContact OD1-N 2.98Å; D92-T95 WeakPolarHBondContact CB-O 3.43Å; D92-T95 VanDerWaalsContact CG-N 3.27Å; D92-T95 PolarHBondContact OD1-N 3.27Å; D92-T95 PolarHBondContact OD2-N 2.95Å; D92-T95 PolarHBondContact OD2-OG1 2.03Å; D92-P96 WeakPolarHBondContact O-CA 3.47Å; D92-P96 WeakPolarHBondContact O-CG 3.48Å; D92-F101 HydrophobicContact CB-CB 3.71Å; D92-F101 HydrophobicContact CB-CD1 4.22Å; D92-F101 HydrophobicContact CB-CG 4.3Å | ||
| 93 | L | 92.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -74.7 | -21.8 | -179.1 | -63.5 | -175.7 | 0 | 0 | 0 | 113.2 | H37 P39 F42 C48 F52 P91 | H37-L93 VanDerWaalsContact NE2-CD1 3.35Å; H37-L93 WeakPolarHBondContact NE2-CD1 3.24Å; P39-L93 HydrophobicContact CB-CD1 3.96Å; P39-L93 HydrophobicContact CB-CD2 4.18Å; P39-L93 HydrophobicContact CG-CD1 4.28Å; P39-L93 HydrophobicContact CG-CD2 4.33Å; F42-L93 HydrophobicContact CB-CD1 3.97Å; F42-L93 HydrophobicContact CD1-CB 3.76Å; F42-L93 HydrophobicContact CD1-CD1 3.53Å; F42-L93 HydrophobicContact CD1-CG 4.27Å; F42-L93 HydrophobicContact CE1-CB 3.74Å; F42-L93 HydrophobicContact CE1-CD1 4.22Å; F42-L93 HydrophobicContact CG-CD1 3.86Å; C48-L93 WeakPolarHBondContact CB-O 2.86Å; F52-L93 HydrophobicContact CD2-CD2 3.7Å; F52-L93 HydrophobicContact CE2-CD2 3.9Å; P91-L93 HydrophobicContact CG-CD2 3.89Å; P91-L93 PolarHBondContact O-N 3.04Å |
| 94 | I | 91.6 | Very high | 94.7 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -88.3 | -50 | 178.5 | -53.7 | -179.9 | 0 | 0 | 0 | 109.6 | F42 E46 D92 | F42-I94 HydrophobicContact CE1-CD1 4.27Å; F42-I94 HydrophobicContact CE1-CG1 3.81Å; F42-I94 HydrophobicContact CZ-CD1 4.11Å; F42-I94 HydrophobicContact CZ-CG1 4.12Å; E46-I94 HydrophobicContact CB-CD1 4.4Å; E46-I94 HydrophobicContact CG-CD1 4.32Å; D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 WeakPolarHBondContact OD1-CA 3.49Å; D92-I94 PolarHBondContact OD1-N 2.98Å |
| 95 | T | 89.8 | Confident | 94.8 | Very high | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | trans | -125.1 | 77.2 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | D92 A97 S98 | D92-T95 WeakPolarHBondContact CB-O 3.43Å; D92-T95 VanDerWaalsContact CG-N 3.27Å; D92-T95 PolarHBondContact OD1-N 3.27Å; D92-T95 PolarHBondContact OD2-N 2.95Å; D92-T95 PolarHBondContact OD2-OG1 2.03Å; T95-A97 PolarHBondContact O-N 3.29Å; T95-S98 VanDerWaalsContact O-CB 3.26Å; T95-S98 WeakPolarHBondContact O-CB 3.46Å; T95-S98 PolarHBondContact O-N 3.47Å; T95-S98 WeakPolarHBondContact OG1-CB 3.46Å | ||
| 96 | P | 84.7 | Confident | 94.8 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20 | -170.7 | -26.9 | 33.2 | 0 | 0 | 0 | 117.4 | D92 | D92-P96 WeakPolarHBondContact O-CA 3.47Å; D92-P96 WeakPolarHBondContact O-CG 3.48Å |
| 97 | A | 84.7 | Confident | 94.8 | Very high | 109 Ų | 109 | 51 Ų | 51 | 90% | 0.901 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T95 | T95-A97 PolarHBondContact O-N 3.29Š|
| 98 | S | 90.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -86.2 | 152.6 | -178.2 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | T95 E100 | T95-S98 VanDerWaalsContact O-CB 3.26Å; T95-S98 WeakPolarHBondContact O-CB 3.46Å; T95-S98 PolarHBondContact O-N 3.47Å; T95-S98 WeakPolarHBondContact OG1-CB 3.46Å; S98-E100 VanDerWaalsContact OG-CB 3.31Å; S98-E100 WeakPolarHBondContact OG-CB 3.36Å; S98-E100 VanDerWaalsContact OG-CD 3.32Å; S98-E100 WeakPolarHBondContact OG-CG 3.12Å; S98-E100 PolarHBondContact OG-N 2.79Å; S98-E100 VanDerWaalsContact OG-N 3.14Å; S98-E100 PolarHBondContact OG-OE2 3.15Å; S98-E100 VanDerWaalsContact OG-OE2 3.06Å | ||
| 99 | S | 94.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -104.2 | 4.4 | 168.6 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | F101 W102 Q103 | S99-F101 VanDerWaalsContact C-N 3.28Å; S99-F101 PolarHBondContact O-N 3.31Å; S99-W102 PolarHBondContact O-N 2.8Å; S99-Q103 PolarHBondContact O-N 3.33Å |
| 100 | E | 95.8 | Very high | 94.9 | Very high | 122 Ų | 122 | 41.1 Ų | 41.1 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.8 | -37 | -178.2 | -73 | 168.8 | 157.6 | 0 | 0 | 111.9 | S98 Q103 Y104 | S98-E100 VanDerWaalsContact OG-CB 3.31Å; S98-E100 WeakPolarHBondContact OG-CB 3.36Å; S98-E100 VanDerWaalsContact OG-CD 3.32Å; S98-E100 WeakPolarHBondContact OG-CG 3.12Å; S98-E100 PolarHBondContact OG-N 2.79Å; S98-E100 VanDerWaalsContact OG-N 3.14Å; S98-E100 PolarHBondContact OG-OE2 3.15Å; S98-E100 VanDerWaalsContact OG-OE2 3.06Å; E100-Q103 WeakPolarHBondContact O-CB 3.42Å; E100-Q103 PolarHBondContact O-N 2.62Å; E100-Y104 WeakPolarHBondContact O-CB 3.29Å; E100-Y104 PolarHBondContact O-N 3.5Å |
| 101 | F | 96.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 175.2 | 179.9 | -132.3 | 0 | 0 | 0 | 112.3 | H58 W90 D92 S99 Q103 Y104 E105 | H58-F101 AromaticContact CD2-CZ 3.75Å; H58-F101 VanDerWaalsContact O-CZ 3.24Å; H58-F101 WeakPolarHBondContact O-CZ 3.34Å; W90-F101 AromaticContact CD1-CE1 3.53Å; W90-F101 AromaticContact NE1-CE1 3.51Å; W90-F101 AromaticContact NE1-CZ 3.9Å; D92-F101 HydrophobicContact CB-CB 3.71Å; D92-F101 HydrophobicContact CB-CD1 4.22Å; D92-F101 HydrophobicContact CB-CG 4.3Å; S99-F101 VanDerWaalsContact C-N 3.28Å; S99-F101 PolarHBondContact O-N 3.31Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.86Å; F101-Y104 WeakPolarHBondContact O-CB 3.44Å; F101-Y104 PolarHBondContact O-N 2.57Å; F101-E105 HydrophobicContact CD2-CG 4.22Å; F101-E105 HydrophobicContact CE2-CG 3.82Å; F101-E105 HydrophobicContact CZ-CG 4.06Å; F101-E105 WeakPolarHBondContact O-CG 3.44Å; F101-E105 PolarHBondContact O-N 2.93Å |
| 102 | W | 98.6 | Very high | 95 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.038 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -34.6 | 176.1 | -51.4 | -32.5 | 0 | 0 | 0 | 112 | F74 L83 M86 Q87 W90 S99 Y104 E105 W106 F126 | F74-W102 HydrophobicContact CE1-CB 4.46Å; F74-W102 HydrophobicContact CE2-CB 4.25Å; F74-W102 HydrophobicContact CZ-CB 3.96Å; F74-W102 HydrophobicContact CZ-CE3 4.45Å; L83-W102 HydrophobicContact CD2-CE3 4.34Å; L83-W102 HydrophobicContact CD2-CH2 4.16Å; L83-W102 HydrophobicContact CD2-CZ3 3.57Å; M86-W102 HydrophobicContact CB-CH2 3.85Å; M86-W102 HydrophobicContact CB-CZ2 3.55Å; M86-W102 HydrophobicContact CB-CZ3 4.49Å; M86-W102 HydrophobicContact CE-CB 4.2Å; M86-W102 VanDerWaalsContact CE-CD1 3.42Å; M86-W102 HydrophobicContact CE-CD2 3.62Å; M86-W102 HydrophobicContact CE-CE3 4.37Å; M86-W102 HydrophobicContact CE-CG 3.49Å; M86-W102 VanDerWaalsContact CE-CG 3.49Å; M86-W102 HydrophobicContact CE-CZ2 4.46Å; Q87-W102 HydrophobicContact CG-CH2 3.96Å; Q87-W102 HydrophobicContact CG-CZ2 4.43Å; W90-W102 PolarHBondContact O-NE1 3.14Å; S99-W102 PolarHBondContact O-N 2.8Å; W102-Y104 VanDerWaalsContact C-N 3.34Å; W102-E105 PolarHBondContact O-N 2.86Å; W102-W106 VanDerWaalsContact O-CB 3.31Å; W102-W106 WeakPolarHBondContact O-CB 3.44Å; W102-W106 PolarHBondContact O-N 2.87Å; W102-F126 HydrophobicContact CB-CE1 4.09Å; W102-F126 HydrophobicContact CB-CZ 4.04Å; W102-F126 WeakPolarHBondContact O-CZ 2.97Å |
| 103 | Q | 98.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 171.3 | 173.2 | 174.7 | 19.8 | 0 | 0 | 111.4 | F74 S99 E100 F101 W106 Q107 | F74-Q103 HydrophobicContact CB-CB 3.94Å; F74-Q103 HydrophobicContact CB-CG 3.91Å; F74-Q103 HydrophobicContact CD1-CB 3.69Å; F74-Q103 HydrophobicContact CD1-CG 4.41Å; F74-Q103 HydrophobicContact CE1-CB 4.49Å; F74-Q103 HydrophobicContact CG-CB 4.01Å; S99-Q103 PolarHBondContact O-N 3.33Å; E100-Q103 WeakPolarHBondContact O-CB 3.42Å; E100-Q103 PolarHBondContact O-N 2.62Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.86Å; Q103-W106 PolarHBondContact O-N 2.69Å; Q103-Q107 HydrophobicContact CG-CG 4.45Å; Q103-Q107 WeakPolarHBondContact O-CB 3.49Å; Q103-Q107 VanDerWaalsContact O-CG 3.26Å; Q103-Q107 WeakPolarHBondContact O-CG 3.41Å; Q103-Q107 PolarHBondContact O-N 3.24Å |
| 104 | Y | 97.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 40.4 Ų | 40.4 | 42% | 0.424 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 177.1 | 177.3 | -96.2 | 0 | 0 | 0 | 111.5 | E100 F101 W102 W106 Q107 K108 | E100-Y104 WeakPolarHBondContact O-CB 3.29Å; E100-Y104 PolarHBondContact O-N 3.5Å; F101-Y104 WeakPolarHBondContact O-CB 3.44Å; F101-Y104 PolarHBondContact O-N 2.57Å; W102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-W106 VanDerWaalsContact C-N 3.32Å; Y104-W106 PolarHBondContact O-N 3.42Å; Y104-Q107 PolarHBondContact O-N 2.99Å; Y104-K108 HydrophobicContact CE1-CD 3.71Å; Y104-K108 HydrophobicContact CE2-CD 4.11Å; Y104-K108 VanDerWaalsContact CZ-CD 3.42Å; Y104-K108 VanDerWaalsContact O-CB 3.3Å; Y104-K108 WeakPolarHBondContact O-CB 3.44Å; Y104-K108 PolarHBondContact O-N 3.48Å; Y104-K108 VanDerWaalsContact OH-CD 3.24Å; Y104-K108 WeakPolarHBondContact OH-CD 3.41Å; Y104-K108 WeakPolarHBondContact OH-CE 3.09Å; Y104-K108 PolarHBondContact OH-NZ 3.31Å |
| 105 | E | 98.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.9 | -74.2 | -59.7 | 118.2 | 0 | 0 | 112.1 | G59 W61 W90 F101 W102 H109 G110 | G59-E105 WeakPolarHBondContact CA-OE2 3.47Å; W61-E105 PolarHBondContact NE1-OE2 3.03Å; W90-E105 HydrophobicContact CZ2-CB 4.17Å; W90-E105 HydrophobicContact CZ2-CG 4.08Å; F101-E105 HydrophobicContact CD2-CG 4.22Å; F101-E105 HydrophobicContact CE2-CG 3.82Å; F101-E105 HydrophobicContact CZ-CG 4.06Å; F101-E105 WeakPolarHBondContact O-CG 3.44Å; F101-E105 PolarHBondContact O-N 2.93Å; W102-E105 PolarHBondContact O-N 2.86Å; E105-H109 WeakPolarHBondContact O-CA 3.12Å; E105-H109 WeakPolarHBondContact O-CB 3.42Å; E105-H109 PolarHBondContact O-N 3.16Å; E105-H109 IonicContact OE1-CD2 2.78Å; E105-H109 IonicContact OE2-CD2 2.71Å; E105-G110 PolarHBondContact O-N 2.9Å |
| 106 | W | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -63.1 | -52.8 | 174.2 | 172.9 | -104.8 | 0 | 0 | 0 | 111.8 | W72 F74 W102 Q103 Y104 K108 G110 T111 A114 Q122 Y125 F126 | W72-W106 HydrophobicContact CD2-CH2 4.35Å; W72-W106 AromaticContact CD2-CZ2 3.55Å; W72-W106 HydrophobicContact CD2-CZ2 3.55Å; W72-W106 AromaticContact CE2-CZ2 3.53Å; W72-W106 HydrophobicContact CE3-CH2 4.39Å; W72-W106 AromaticContact CE3-CZ2 3.9Å; W72-W106 HydrophobicContact CE3-CZ2 3.9Å; W72-W106 AromaticContact CG-CZ2 3.96Å; W72-W106 HydrophobicContact CG-CZ2 3.96Å; W72-W106 HydrophobicContact CH2-CH2 4.1Å; W72-W106 HydrophobicContact CH2-CZ2 4.24Å; W72-W106 HydrophobicContact CZ2-CH2 4.02Å; W72-W106 AromaticContact CZ2-CZ2 3.91Å; W72-W106 HydrophobicContact CZ2-CZ2 3.91Å; W72-W106 HydrophobicContact CZ3-CH2 4.28Å; W72-W106 HydrophobicContact CZ3-CZ2 4.23Å; W72-W106 AromaticContact NE1-CZ2 3.86Å; W72-W106 PolarHBondContact O-NE1 3.37Å; F74-W106 HydrophobicContact CB-CB 4.25Å; F74-W106 HydrophobicContact CB-CG 4.21Å; F74-W106 HydrophobicContact CD2-CB 3.96Å; F74-W106 HydrophobicContact CD2-CG 4.2Å; F74-W106 HydrophobicContact CG-CB 4.47Å; W102-W106 VanDerWaalsContact O-CB 3.31Å; W102-W106 WeakPolarHBondContact O-CB 3.44Å; W102-W106 PolarHBondContact O-N 2.87Å; Q103-W106 PolarHBondContact O-N 2.69Å; Y104-W106 VanDerWaalsContact C-N 3.32Å; Y104-W106 PolarHBondContact O-N 3.42Å; W106-K108 PolarHBondContact O-N 3.06Å; W106-G110 CarbonylContact O-C 3.58Å; W106-G110 VanDerWaalsContact O-CA 3.29Å; W106-G110 WeakPolarHBondContact O-CA 3.41Å; W106-G110 PolarHBondContact O-N 3.01Å; W106-T111 HydrophobicContact CZ2-CG2 4.32Å; W106-T111 WeakPolarHBondContact O-CG2 3.39Å; W106-T111 PolarHBondContact O-N 3.24Å; W106-A114 HydrophobicContact CH2-CB 3.92Å; W106-A114 HydrophobicContact CZ3-CB 4.48Å; W106-Q122 HydrophobicContact CD2-CG 3.59Å; W106-Q122 VanDerWaalsContact CE2-CG 3.43Å; W106-Q122 HydrophobicContact CE3-CB 4.36Å; W106-Q122 HydrophobicContact CE3-CG 3.77Å; W106-Q122 HydrophobicContact CG-CG 4.3Å; W106-Q122 HydrophobicContact CH2-CB 4.46Å; W106-Q122 HydrophobicContact CH2-CG 3.68Å; W106-Q122 HydrophobicContact CZ2-CG 3.48Å; W106-Q122 VanDerWaalsContact CZ2-CG 3.48Å; W106-Q122 HydrophobicContact CZ3-CB 4.31Å; W106-Q122 HydrophobicContact CZ3-CG 3.81Å; W106-Y125 AromaticContact CE3-CD1 3.85Å; W106-Y125 HydrophobicContact CE3-CD1 3.85Å; W106-Y125 HydrophobicContact CE3-CE1 4.48Å; W106-Y125 HydrophobicContact CE3-CG 4.22Å; W106-Y125 HydrophobicContact CZ3-CD1 4.2Å; W106-Y125 HydrophobicContact CZ3-CG 4.1Å; W106-F126 HydrophobicContact CB-CE2 4.1Å; W106-F126 HydrophobicContact CB-CZ 3.91Å; W106-F126 HydrophobicContact CE3-CE2 4.24Å |
| 107 | Q | 98.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -61.7 | -48.1 | -175.9 | -74.4 | 176 | -9.5 | 0 | 0 | 111.2 | E67 Q103 Y104 T111 | E67-Q107 WeakPolarHBondContact CA-O 3.42Å; Q103-Q107 HydrophobicContact CG-CG 4.45Å; Q103-Q107 WeakPolarHBondContact O-CB 3.49Å; Q103-Q107 VanDerWaalsContact O-CG 3.26Å; Q103-Q107 WeakPolarHBondContact O-CG 3.41Å; Q103-Q107 PolarHBondContact O-N 3.24Å; Y104-Q107 PolarHBondContact O-N 2.99Å; Q107-T111 PolarHBondContact O-OG1 3.05Å |
| 108 | K | 97.4 | Very high | 96.7 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -75.7 | -41.5 | -175.3 | -169.9 | 176.3 | 174.7 | -163 | 0 | 113 | Q66 E67 Y104 W106 | Q66-K108 CarbonylContact C-O 3.5Å; Q66-K108 WeakPolarHBondContact CA-O 3.33Å; Q66-K108 HydrophobicContact CB-CG 4.39Å; Q66-K108 HydrophobicContact CG-CG 4.49Å; E67-K108 PolarHBondContact N-O 3.27Å; Y104-K108 HydrophobicContact CE1-CD 3.71Å; Y104-K108 HydrophobicContact CE2-CD 4.11Å; Y104-K108 VanDerWaalsContact CZ-CD 3.42Å; Y104-K108 VanDerWaalsContact O-CB 3.3Å; Y104-K108 WeakPolarHBondContact O-CB 3.44Å; Y104-K108 PolarHBondContact O-N 3.48Å; Y104-K108 VanDerWaalsContact OH-CD 3.24Å; Y104-K108 WeakPolarHBondContact OH-CD 3.41Å; Y104-K108 WeakPolarHBondContact OH-CE 3.09Å; Y104-K108 PolarHBondContact OH-NZ 3.31Å; W106-K108 PolarHBondContact O-N 3.06Å |
| 109 | H | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -118.5 | -47 | -170.7 | -58.9 | -67.8 | 0 | 0 | 0 | 113.2 | W61 E105 T111 C112 A113 | W61-H109 AromaticContact CD1-CD2 3.31Å; W61-H109 AromaticContact CD1-CE1 3.87Å; W61-H109 AromaticContact CD1-CG 3.24Å; W61-H109 AromaticContact CD1-ND1 3.63Å; W61-H109 AromaticContact CD1-NE2 3.76Å; W61-H109 AromaticContact CE2-NE2 3.88Å; W61-H109 HydrophobicContact CG-CB 4.45Å; W61-H109 AromaticContact CG-CE1 3.89Å; W61-H109 AromaticContact CG-CG 3.86Å; W61-H109 AromaticContact CG-ND1 3.75Å; W61-H109 AromaticContact NE1-CD2 3.25Å; W61-H109 PolarHBondContact NE1-CD2 3.33Å; W61-H109 VanDerWaalsContact NE1-CD2 3.25Å; W61-H109 AromaticContact NE1-CG 3.73Å; W61-H109 AromaticContact NE1-NE2 3.55Å; E105-H109 WeakPolarHBondContact O-CA 3.12Å; E105-H109 WeakPolarHBondContact O-CB 3.42Å; E105-H109 PolarHBondContact O-N 3.16Å; E105-H109 IonicContact OE1-CD2 2.78Å; E105-H109 IonicContact OE2-CD2 2.71Å; H109-T111 VanDerWaalsContact C-N 3.33Å; H109-T111 PolarHBondContact O-N 3.42Å; H109-C112 WeakPolarHBondContact O-CB 3.42Å; H109-C112 PolarHBondContact O-N 3.33Å; H109-A113 PolarHBondContact O-N 2.71Å |
| 110 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -58 | -39.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E105 W106 C112 A113 A114 | E105-G110 PolarHBondContact O-N 2.9Å; W106-G110 CarbonylContact O-C 3.58Å; W106-G110 VanDerWaalsContact O-CA 3.29Å; W106-G110 WeakPolarHBondContact O-CA 3.41Å; W106-G110 PolarHBondContact O-N 3.01Å; G110-C112 PolarHBondContact O-N 2.83Å; G110-A113 PolarHBondContact O-N 3.22Å; G110-A114 VanDerWaalsContact O-CB 3.26Å; G110-A114 WeakPolarHBondContact O-CB 3.38Å; G110-A114 PolarHBondContact O-N 2.99Å |
| 111 | T | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -29.7 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | C68 N69 W72 W106 Q107 H109 | C68-T111 PolarHBondContact N-OG1 2.86Å; C68-T111 VanDerWaalsContact N-OG1 3.16Å; N69-T111 HydrophobicContact CB-CG2 4.17Å; N69-T111 PolarHBondContact N-OG1 3.44Å; N69-T111 WeakPolarHBondContact O-CG2 3.42Å; W72-T111 HydrophobicContact CB-CG2 4.39Å; W106-T111 HydrophobicContact CZ2-CG2 4.32Å; W106-T111 WeakPolarHBondContact O-CG2 3.39Å; W106-T111 PolarHBondContact O-N 3.24Å; Q107-T111 PolarHBondContact O-OG1 3.05Å; H109-T111 VanDerWaalsContact C-N 3.33Å; H109-T111 PolarHBondContact O-N 3.42Å |
| 112 | C | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78.5 | -43.2 | 173.9 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | W29 P62 Q66 C68 H109 G110 A114 K115 | W29-C112 PolarHBondContact NE1-O 3.04Å; P62-C112 HydrophobicContact CB-CB 4.39Å; P62-C112 HydrophobicContact CG-CB 3.91Å; Q66-C112 VanDerWaalsContact C-SG 3.59Å; Q66-C112 VanDerWaalsContact CA-SG 3.59Å; Q66-C112 PolarHBondContact N-SG 3.46Å; C68-C112 HydrophobicContact CB-CB 3.86Å; C68-C112 WeakPolarHBondContact CB-SG 3.46Å; C68-C112 PolarHBondContact N-SG 2.78Å; C68-C112 VanDerWaalsContact N-SG 3.39Å; C68-C112 WeakPolarHBondContact SG-CA 3.29Å; C68-C112 WeakPolarHBondContact SG-CB 3.1Å; C68-C112 CovalentContact SG-SG 2.03Å; C68-C112 PolarHBondContact SG-SG 2.05Å; H109-C112 WeakPolarHBondContact O-CB 3.42Å; H109-C112 PolarHBondContact O-N 3.33Å; G110-C112 PolarHBondContact O-N 2.83Å; C112-A114 VanDerWaalsContact C-N 3.26Å; C112-A114 PolarHBondContact O-N 3.36Å; C112-K115 WeakPolarHBondContact O-CB 3.18Å; C112-K115 WeakPolarHBondContact O-CG 3.47Å; C112-K115 PolarHBondContact O-N 3Å |
| 113 | A | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P62 H109 G110 K115 A116 L119 Y125 | P62-A113 HydrophobicContact CG-CB 3.83Å; H109-A113 PolarHBondContact O-N 2.71Å; G110-A113 PolarHBondContact O-N 3.22Å; A113-K115 PolarHBondContact O-N 2.83Å; A113-A116 PolarHBondContact O-N 2.86Å; A113-L119 HydrophobicContact CB-CB 4.46Å; A113-L119 HydrophobicContact CB-CD1 3.85Å; A113-Y125 HydrophobicContact CB-CD2 3.69Å; A113-Y125 HydrophobicContact CB-CE2 3.81Å |
| 114 | A | 97.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | W72 W106 G110 C112 A116 L119 N120 | W72-A114 HydrophobicContact CE3-CB 4.45Å; W72-A114 HydrophobicContact CH2-CB 3.82Å; W72-A114 HydrophobicContact CZ3-CB 3.51Å; W106-A114 HydrophobicContact CH2-CB 3.92Å; W106-A114 HydrophobicContact CZ3-CB 4.48Å; G110-A114 VanDerWaalsContact O-CB 3.26Å; G110-A114 WeakPolarHBondContact O-CB 3.38Å; G110-A114 PolarHBondContact O-N 2.99Å; C112-A114 VanDerWaalsContact C-N 3.26Å; C112-A114 PolarHBondContact O-N 3.36Å; A114-A116 PolarHBondContact O-N 3.31Å; A114-L119 WeakPolarHBondContact CA-O 3.44Å; A114-L119 WeakPolarHBondContact CB-O 3.32Å; A114-N120 WeakPolarHBondContact O-CA 3.15Å; A114-N120 WeakPolarHBondContact O-CB 3.46Å |
| 115 | K | 94.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 52% | 0.517 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.6 | 165.6 | -67.8 | -176 | 178 | 179.2 | 0 | 112.3 | C112 A113 | C112-K115 WeakPolarHBondContact O-CB 3.18Å; C112-K115 WeakPolarHBondContact O-CG 3.47Å; C112-K115 PolarHBondContact O-N 3Å; A113-K115 PolarHBondContact O-N 2.83Å |
| 116 | A | 94.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -82.4 | 136.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | W29 A113 A114 S118 L119 N120 | W29-A116 HydrophobicContact CH2-CB 3.95Å; W29-A116 HydrophobicContact CZ2-CB 3.46Å; W29-A116 VanDerWaalsContact CZ2-CB 3.46Å; A113-A116 PolarHBondContact O-N 2.86Å; A114-A116 PolarHBondContact O-N 3.31Å; A116-S118 PolarHBondContact O-N 2.93Å; A116-L119 CarbonylContact O-C 3.47Å; A116-L119 PolarHBondContact O-N 3.49Å; A116-N120 WeakPolarHBondContact O-CB 3.05Å; A116-N120 PolarHBondContact O-N 3.07Å |
| 117 | E | 94.7 | Very high | 97.6 | Very high | 157 Ų | 157 | 36.4 Ų | 36.4 | 73% | 0.734 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -59.3 | -31.8 | -179.3 | -172.7 | 177.9 | 179.6 | 0 | 0 | 113.2 | L119 N120 K124 | E117-L119 PolarHBondContact O-N 3.44Å; E117-N120 PolarHBondContact O-OD1 3.32Å; E117-K124 PolarHBondContact O-NZ 3.3Å |
| 118 | S | 96.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 35 Ų | 35 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -67.4 | -19.8 | 176.2 | 54 | 0 | 0 | 0 | 0 | 113.5 | A116 F197 | A116-S118 PolarHBondContact O-N 2.93Å; S118-F197 WeakPolarHBondContact OG-CZ 3.11Å |
| 119 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -122.6 | 9.7 | -177.4 | -59.4 | 177.6 | 0 | 0 | 0 | 113.1 | W29 L32 A113 A114 A116 E117 S121 K128 F197 | W29-L119 HydrophobicContact CH2-CD1 4.19Å; W29-L119 HydrophobicContact CZ2-CD1 4.1Å; L32-L119 HydrophobicContact CD1-CD1 3.81Å; L32-L119 HydrophobicContact CD2-CD1 4.22Å; A113-L119 HydrophobicContact CB-CB 4.46Å; A113-L119 HydrophobicContact CB-CD1 3.85Å; A114-L119 WeakPolarHBondContact CA-O 3.44Å; A114-L119 WeakPolarHBondContact CB-O 3.32Å; A116-L119 CarbonylContact O-C 3.47Å; A116-L119 PolarHBondContact O-N 3.49Å; E117-L119 PolarHBondContact O-N 3.44Å; L119-S121 PolarHBondContact O-N 3.05Å; L119-K128 HydrophobicContact CD2-CB 3.67Å; L119-K128 HydrophobicContact CD2-CG 3.81Å; L119-F197 HydrophobicContact CD1-CE1 4.09Å; L119-F197 HydrophobicContact CD1-CZ 4.26Å; L119-F197 HydrophobicContact CD2-CE1 3.92Å; L119-F197 HydrophobicContact CD2-CZ 3.73Å; L119-F197 HydrophobicContact CG-CE1 4.19Å; L119-F197 HydrophobicContact CG-CZ 3.9Å |
| 120 | N | 97.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 32.7 Ų | 32.7 | 35% | 0.353 | 17% | 0.172 | S | C | . | . | trans | -73.7 | 30.1 | -168 | 72.8 | -8.4 | 0 | 0 | 0 | 116.1 | W72 A114 A116 E117 K124 | W72-N120 WeakPolarHBondContact CH2-O 3.26Å; A114-N120 WeakPolarHBondContact O-CA 3.15Å; A114-N120 WeakPolarHBondContact O-CB 3.46Å; A116-N120 WeakPolarHBondContact O-CB 3.05Å; A116-N120 PolarHBondContact O-N 3.07Å; E117-N120 PolarHBondContact O-OD1 3.32Å; N120-K124 VanDerWaalsContact OD1-CD 3.32Å; N120-K124 WeakPolarHBondContact OD1-CD 3.46Å; N120-K124 PolarHBondContact OD1-NZ 3.17Å | ||
| 121 | S | 98.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -156.7 | 161 | 169.1 | 67.3 | 0 | 0 | 0 | 0 | 109.7 | L119 H123 K124 Y125 | L119-S121 PolarHBondContact O-N 3.05Å; S121-H123 VanDerWaalsContact C-N 3.32Å; S121-H123 PolarHBondContact O-N 3.44Å; S121-K124 PolarHBondContact O-N 3.01Å; S121-K124 WeakPolarHBondContact OG-CB 3.43Å; S121-K124 VanDerWaalsContact OG-CG 3.28Å; S121-K124 WeakPolarHBondContact OG-CG 3.5Å; S121-K124 PolarHBondContact OG-N 2.94Å; S121-K124 VanDerWaalsContact OG-N 3.08Å; S121-Y125 WeakPolarHBondContact O-CB 3.01Å; S121-Y125 PolarHBondContact O-N 2.76Å |
| 122 | Q | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 174.8 | -66 | -178 | 39.1 | 0 | 0 | 111.2 | H73 N75 I79 W106 K124 Y125 F126 | H73-Q122 PolarHBondContact O-NE2 3.47Å; N75-Q122 PolarHBondContact O-OE1 2.94Å; I79-Q122 HydrophobicContact CG2-CB 4.19Å; W106-Q122 HydrophobicContact CD2-CG 3.59Å; W106-Q122 VanDerWaalsContact CE2-CG 3.43Å; W106-Q122 HydrophobicContact CE3-CB 4.36Å; W106-Q122 HydrophobicContact CE3-CG 3.77Å; W106-Q122 HydrophobicContact CG-CG 4.3Å; W106-Q122 HydrophobicContact CH2-CB 4.46Å; W106-Q122 HydrophobicContact CH2-CG 3.68Å; W106-Q122 HydrophobicContact CZ2-CG 3.48Å; W106-Q122 VanDerWaalsContact CZ2-CG 3.48Å; W106-Q122 HydrophobicContact CZ3-CB 4.31Å; W106-Q122 HydrophobicContact CZ3-CG 3.81Å; Q122-K124 PolarHBondContact O-N 2.97Å; Q122-Y125 PolarHBondContact O-N 3.1Å; Q122-F126 HydrophobicContact CB-CD2 4.36Å; Q122-F126 HydrophobicContact CB-CE2 4.46Å; Q122-F126 WeakPolarHBondContact O-CD2 3.26Å; Q122-F126 PolarHBondContact O-N 2.98Å |
| 123 | H | 98.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.7 | -50.3 | 177.3 | -171.5 | -80.7 | 0 | 0 | 0 | 112.5 | L78 D81 S121 Y125 G127 | L78-H123 PolarHBondContact O-CD2 2.85Å; D81-H123 IonicContact OD1-CD2 3.44Å; D81-H123 PolarHBondContact OD1-CD2 2.78Å; D81-H123 IonicContact OD1-NE2 3.63Å; D81-H123 PolarHBondContact OD1-NE2 2.85Å; D81-H123 IonicContact OD2-CD2 3.52Å; D81-H123 IonicContact OD2-CE1 3.33Å; D81-H123 IonicContact OD2-NE2 3.22Å; D81-H123 PolarHBondContact OD2-NE2 2.83Å; S121-H123 VanDerWaalsContact C-N 3.32Å; S121-H123 PolarHBondContact O-N 3.44Å; H123-Y125 PolarHBondContact O-N 2.95Å; H123-G127 WeakPolarHBondContact O-CA 3.44Å; H123-G127 PolarHBondContact O-N 2.82Å |
| 124 | K | 98.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 177.3 | -75.1 | 176.9 | 171.7 | -175.9 | 0 | 112.8 | E117 N120 S121 Q122 K128 | E117-K124 PolarHBondContact O-NZ 3.3Å; N120-K124 VanDerWaalsContact OD1-CD 3.32Å; N120-K124 WeakPolarHBondContact OD1-CD 3.46Å; N120-K124 PolarHBondContact OD1-NZ 3.17Å; S121-K124 PolarHBondContact O-N 3.01Å; S121-K124 WeakPolarHBondContact OG-CB 3.43Å; S121-K124 VanDerWaalsContact OG-CG 3.28Å; S121-K124 WeakPolarHBondContact OG-CG 3.5Å; S121-K124 PolarHBondContact OG-N 2.94Å; S121-K124 VanDerWaalsContact OG-N 3.08Å; Q122-K124 PolarHBondContact O-N 2.97Å; K124-K128 WeakPolarHBondContact O-CB 3.27Å; K124-K128 PolarHBondContact O-N 2.78Å |
| 125 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -54.9 | -179.8 | 170.4 | -101.8 | 0 | 0 | 0 | 112.1 | L60 W90 W106 A113 S121 Q122 H123 K128 A129 | L60-Y125 HydrophobicContact CB-CE2 4.07Å; L60-Y125 HydrophobicContact CD2-CD2 4.39Å; L60-Y125 HydrophobicContact CD2-CE2 4.23Å; L60-Y125 HydrophobicContact CG-CE2 4.31Å; L60-Y125 VanDerWaalsContact O-CE2 3.31Å; L60-Y125 WeakPolarHBondContact O-CE2 3.37Å; L60-Y125 PolarHBondContact O-OH 3.03Å; W90-Y125 HydrophobicContact CH2-CE1 4Å; W106-Y125 AromaticContact CE3-CD1 3.85Å; W106-Y125 HydrophobicContact CE3-CD1 3.85Å; W106-Y125 HydrophobicContact CE3-CE1 4.48Å; W106-Y125 HydrophobicContact CE3-CG 4.22Å; W106-Y125 HydrophobicContact CZ3-CD1 4.2Å; W106-Y125 HydrophobicContact CZ3-CG 4.1Å; A113-Y125 HydrophobicContact CB-CD2 3.69Å; A113-Y125 HydrophobicContact CB-CE2 3.81Å; S121-Y125 WeakPolarHBondContact O-CB 3.01Å; S121-Y125 PolarHBondContact O-N 2.76Å; Q122-Y125 PolarHBondContact O-N 3.1Å; H123-Y125 PolarHBondContact O-N 2.95Å; Y125-K128 PolarHBondContact O-N 3.41Å; Y125-A129 PolarHBondContact O-N 2.77Å |
| 126 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | -179.3 | -73.1 | -68.2 | 0 | 0 | 0 | 111.8 | F74 I79 L82 M86 W90 W102 W106 Q122 K128 A129 L130 | F74-F126 AromaticContact CD2-CE2 3.93Å; F74-F126 HydrophobicContact CD2-CE2 3.93Å; F74-F126 HydrophobicContact CD2-CZ 4.29Å; F74-F126 HydrophobicContact CE2-CD2 4.42Å; F74-F126 AromaticContact CE2-CE2 3.58Å; F74-F126 HydrophobicContact CE2-CE2 3.58Å; F74-F126 AromaticContact CE2-CZ 3.96Å; F74-F126 HydrophobicContact CE2-CZ 3.96Å; I79-F126 HydrophobicContact CD1-CD2 4.25Å; I79-F126 HydrophobicContact CG2-CD2 3.99Å; L82-F126 HydrophobicContact CD1-CB 3.92Å; M86-F126 HydrophobicContact CE-CB 4.41Å; M86-F126 HydrophobicContact CE-CD1 3.26Å; M86-F126 HydrophobicContact CE-CE1 3.62Å; M86-F126 HydrophobicContact CE-CG 3.96Å; M86-F126 HydrophobicContact SD-CB 4.09Å; M86-F126 HydrophobicContact SD-CD1 3.89Å; M86-F126 HydrophobicContact SD-CG 4.29Å; W90-F126 HydrophobicContact CE3-CD1 4.03Å; W90-F126 AromaticContact CH2-CD1 3.92Å; W90-F126 HydrophobicContact CH2-CD1 3.92Å; W90-F126 HydrophobicContact CH2-CE1 4.01Å; W90-F126 HydrophobicContact CZ2-CE1 4.43Å; W90-F126 AromaticContact CZ3-CD1 3.52Å; W90-F126 HydrophobicContact CZ3-CD1 3.52Å; W90-F126 HydrophobicContact CZ3-CE1 4.05Å; W102-F126 HydrophobicContact CB-CE1 4.09Å; W102-F126 HydrophobicContact CB-CZ 4.04Å; W102-F126 WeakPolarHBondContact O-CZ 2.97Å; W106-F126 HydrophobicContact CB-CE2 4.1Å; W106-F126 HydrophobicContact CB-CZ 3.91Å; W106-F126 HydrophobicContact CE3-CE2 4.24Å; Q122-F126 HydrophobicContact CB-CD2 4.36Å; Q122-F126 HydrophobicContact CB-CE2 4.46Å; Q122-F126 WeakPolarHBondContact O-CD2 3.26Å; Q122-F126 PolarHBondContact O-N 2.98Å; F126-K128 PolarHBondContact O-N 2.84Å; F126-A129 PolarHBondContact O-N 3.37Å; F126-L130 WeakPolarHBondContact O-CG 3.35Å; F126-L130 PolarHBondContact O-N 2.9Å |
| 127 | G | 98.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | H123 L130 E131 | H123-G127 WeakPolarHBondContact O-CA 3.44Å; H123-G127 PolarHBondContact O-N 2.82Å; G127-L130 PolarHBondContact O-N 3.11Å; G127-E131 WeakPolarHBondContact O-CB 3.15Å; G127-E131 PolarHBondContact O-N 3.36Å |
| 128 | K | 98.9 | Very high | 98.5 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 177.1 | -178.9 | 57.1 | 66.2 | -172.7 | 0 | 112.1 | L119 K124 Y125 F126 L130 E131 L132 F197 | L119-K128 HydrophobicContact CD2-CB 3.67Å; L119-K128 HydrophobicContact CD2-CG 3.81Å; K124-K128 WeakPolarHBondContact O-CB 3.27Å; K124-K128 PolarHBondContact O-N 2.78Å; Y125-K128 PolarHBondContact O-N 3.41Å; F126-K128 PolarHBondContact O-N 2.84Å; K128-L130 PolarHBondContact O-N 3.42Å; K128-E131 WeakPolarHBondContact CE-OE2 3.34Å; K128-E131 IonicContact NZ-OE1 3.99Å; K128-E131 PolarHBondContact NZ-OE1 2.99Å; K128-E131 IonicContact NZ-OE2 2.84Å; K128-E131 PolarHBondContact NZ-OE2 3.45Å; K128-E131 PolarHBondContact O-N 3.28Å; K128-L132 HydrophobicContact CD-CD1 4.25Å; K128-L132 HydrophobicContact CD-CD2 4.36Å; K128-L132 HydrophobicContact CD-CG 3.98Å; K128-L132 HydrophobicContact CG-CD1 4.12Å; K128-L132 HydrophobicContact CG-CG 4.3Å; K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.41Å; K128-L132 PolarHBondContact O-N 2.92Å; K128-F197 HydrophobicContact CD-CD1 3.97Å; K128-F197 HydrophobicContact CD-CD2 4.26Å; K128-F197 HydrophobicContact CD-CE1 4Å; K128-F197 HydrophobicContact CD-CE2 4.28Å; K128-F197 HydrophobicContact CD-CG 4.09Å; K128-F197 HydrophobicContact CD-CZ 4.15Å; K128-F197 HydrophobicContact CG-CD1 3.93Å; K128-F197 HydrophobicContact CG-CE1 3.56Å; K128-F197 HydrophobicContact CG-CE2 4.47Å; K128-F197 HydrophobicContact CG-CZ 3.85Å |
| 129 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L60 W90 Y125 F126 L132 Y133 | L60-A129 HydrophobicContact CB-CB 3.79Å; L60-A129 HydrophobicContact CD2-CB 3.86Å; L60-A129 HydrophobicContact CG-CB 4.41Å; W90-A129 HydrophobicContact CE3-CB 4.12Å; W90-A129 HydrophobicContact CH2-CB 3.89Å; W90-A129 HydrophobicContact CZ3-CB 3.28Å; Y125-A129 PolarHBondContact O-N 2.77Å; F126-A129 PolarHBondContact O-N 3.37Å; A129-L132 PolarHBondContact O-N 3.41Å; A129-Y133 WeakPolarHBondContact O-CB 3.25Å; A129-Y133 PolarHBondContact O-N 3.13Å |
| 130 | L | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.2 | -70.3 | 168.5 | 0 | 0 | 0 | 111.7 | L57 L82 D85 M86 W89 F126 G127 K128 L132 Y133 H134 | L57-L130 HydrophobicContact CD1-CD2 4Å; L82-L130 HydrophobicContact CB-CD1 4.23Å; D85-L130 HydrophobicContact CB-CD1 4.07Å; D85-L130 HydrophobicContact CB-CD2 4.47Å; M86-L130 HydrophobicContact CG-CD1 4.07Å; M86-L130 HydrophobicContact SD-CD1 3.78Å; M86-L130 HydrophobicContact SD-CD2 4.32Å; M86-L130 HydrophobicContact SD-CG 4.14Å; W89-L130 HydrophobicContact CB-CD2 4.28Å; F126-L130 WeakPolarHBondContact O-CG 3.35Å; F126-L130 PolarHBondContact O-N 2.9Å; G127-L130 PolarHBondContact O-N 3.11Å; K128-L130 PolarHBondContact O-N 3.42Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L130-L132 PolarHBondContact O-N 3.44Å; L130-Y133 WeakPolarHBondContact O-CB 3.44Å; L130-Y133 PolarHBondContact O-N 2.91Å; L130-H134 PolarHBondContact O-CD2 3.16Å; L130-H134 PolarHBondContact O-N 3.33Å |
| 131 | E | 98.9 | Very high | 98.6 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.5 | -177.6 | -165.4 | 140 | 0 | 0 | 111.9 | G127 K128 H134 T135 | G127-E131 WeakPolarHBondContact O-CB 3.15Å; G127-E131 PolarHBondContact O-N 3.36Å; K128-E131 WeakPolarHBondContact CE-OE2 3.34Å; K128-E131 IonicContact NZ-OE1 3.99Å; K128-E131 PolarHBondContact NZ-OE1 2.99Å; K128-E131 IonicContact NZ-OE2 2.84Å; K128-E131 PolarHBondContact NZ-OE2 3.45Å; K128-E131 PolarHBondContact O-N 3.28Å; E131-H134 PolarHBondContact O-N 2.87Å; E131-T135 VanDerWaalsContact O-CB 3.29Å; E131-T135 WeakPolarHBondContact O-CB 3.43Å; E131-T135 PolarHBondContact O-N 3.07Å; E131-T135 PolarHBondContact O-OG1 3.08Å |
| 132 | L | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 178.3 | -68.9 | 176.6 | 0 | 0 | 0 | 112 | L34 L60 K128 A129 L130 T135 L136 F193 F197 | L34-L132 HydrophobicContact CD1-CB 4.28Å; L34-L132 HydrophobicContact CD2-CB 4.14Å; L60-L132 HydrophobicContact CD1-CD1 4.09Å; L60-L132 HydrophobicContact CD2-CD1 4.47Å; K128-L132 HydrophobicContact CD-CD1 4.25Å; K128-L132 HydrophobicContact CD-CD2 4.36Å; K128-L132 HydrophobicContact CD-CG 3.98Å; K128-L132 HydrophobicContact CG-CD1 4.12Å; K128-L132 HydrophobicContact CG-CG 4.3Å; K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.41Å; K128-L132 PolarHBondContact O-N 2.92Å; A129-L132 PolarHBondContact O-N 3.41Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L130-L132 PolarHBondContact O-N 3.44Å; L132-T135 PolarHBondContact O-N 3.06Å; L132-L136 WeakPolarHBondContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 3.49Å; L132-F193 HydrophobicContact CB-CE2 4.46Å; L132-F193 HydrophobicContact CB-CZ 4.28Å; L132-F193 HydrophobicContact CD1-CD2 4.22Å; L132-F193 HydrophobicContact CD1-CE2 4.2Å; L132-F193 HydrophobicContact CD1-CG 4.49Å; L132-F193 HydrophobicContact CD1-CZ 4.42Å; L132-F193 HydrophobicContact CD2-CD1 4.2Å; L132-F193 HydrophobicContact CD2-CE1 3.74Å; L132-F193 HydrophobicContact CD2-CE2 4.48Å; L132-F193 HydrophobicContact CD2-CZ 3.89Å; L132-F193 HydrophobicContact CG-CZ 4.42Å; L132-F197 HydrophobicContact CD1-CD1 4.18Å; L132-F197 HydrophobicContact CD2-CB 4.25Å |
| 133 | Y | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | 175 | 174.7 | -96 | 0 | 0 | 0 | 112.1 | Q36 W55 L57 W89 A129 L130 T135 L136 D137 | Q36-Y133 HydrophobicContact CG-CD2 4.11Å; Q36-Y133 HydrophobicContact CG-CE2 4.27Å; Q36-Y133 VanDerWaalsContact OE1-CE2 3.32Å; W55-Y133 WeakPolarHBondContact O-CE2 3.49Å; W55-Y133 PolarHBondContact O-OH 3.31Å; L57-Y133 HydrophobicContact CD1-CD2 4.14Å; L57-Y133 HydrophobicContact CD1-CG 3.91Å; L57-Y133 HydrophobicContact CD2-CD2 3.75Å; L57-Y133 HydrophobicContact CD2-CG 4.19Å; L57-Y133 HydrophobicContact CG-CD2 3.49Å; L57-Y133 VanDerWaalsContact CG-CD2 3.49Å; L57-Y133 HydrophobicContact CG-CE2 4.16Å; L57-Y133 HydrophobicContact CG-CG 3.81Å; W89-Y133 HydrophobicContact CB-CD1 4Å; W89-Y133 HydrophobicContact CB-CE1 3.63Å; W89-Y133 AromaticContact CD2-CE1 3.75Å; W89-Y133 HydrophobicContact CD2-CE1 3.75Å; W89-Y133 AromaticContact CE3-CE1 3.67Å; W89-Y133 HydrophobicContact CE3-CE1 3.67Å; W89-Y133 AromaticContact CE3-CZ 3.92Å; W89-Y133 VanDerWaalsContact CE3-OH 3.3Å; W89-Y133 HydrophobicContact CG-CD1 4.29Å; W89-Y133 AromaticContact CG-CE1 3.76Å; W89-Y133 HydrophobicContact CG-CE1 3.76Å; W89-Y133 HydrophobicContact CZ3-CE1 4.48Å; A129-Y133 WeakPolarHBondContact O-CB 3.25Å; A129-Y133 PolarHBondContact O-N 3.13Å; L130-Y133 WeakPolarHBondContact O-CB 3.44Å; L130-Y133 PolarHBondContact O-N 2.91Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.37Å; Y133-L136 PolarHBondContact O-N 2.64Å; Y133-D137 PolarHBondContact O-N 2.05Å |
| 134 | H | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.2 | -38 | 178.6 | -72.2 | -53.5 | 0 | 0 | 0 | 112.6 | D85 W89 L130 E131 | D85-H134 IonicContact OD1-CE1 2.77Å; D85-H134 IonicContact OD1-NE2 3.84Å; D85-H134 PolarHBondContact OD1-NE2 3.27Å; D85-H134 IonicContact OD2-CD2 2.79Å; D85-H134 IonicContact OD2-CE1 2.67Å; D85-H134 IonicContact OD2-NE2 3.41Å; D85-H134 PolarHBondContact OD2-NE2 3.39Å; W89-H134 AromaticContact CD1-CE1 3.46Å; W89-H134 VanDerWaalsContact CD1-CE1 3.46Å; W89-H134 AromaticContact CD1-NE2 3.69Å; W89-H134 AromaticContact CE2-CE1 3.7Å; W89-H134 AromaticContact CG-CE1 3.95Å; W89-H134 AromaticContact NE1-CE1 3.31Å; W89-H134 PolarHBondContact NE1-CE1 2.92Å; W89-H134 VanDerWaalsContact NE1-CE1 3.31Å; W89-H134 AromaticContact NE1-NE2 3.83Å; L130-H134 PolarHBondContact O-CD2 3.16Å; L130-H134 PolarHBondContact O-N 3.33Å; E131-H134 PolarHBondContact O-N 2.87Å |
| 135 | T | 98.4 | Very high | 98.5 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 68% | 0.675 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -70.2 | -37.5 | 179.7 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | E131 L132 Y133 | E131-T135 VanDerWaalsContact O-CB 3.29Å; E131-T135 WeakPolarHBondContact O-CB 3.43Å; E131-T135 PolarHBondContact O-N 3.07Å; E131-T135 PolarHBondContact O-OG1 3.08Å; L132-T135 PolarHBondContact O-N 3.06Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.37Å |
| 136 | L | 98.3 | Very high | 98.4 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 176.6 | -85.7 | 172.2 | 0 | 0 | 0 | 112.1 | L34 L132 Y133 L138 Y167 I191 F193 L199 | L34-L136 HydrophobicContact CD2-CD1 3.42Å; L34-L136 VanDerWaalsContact CD2-CD1 3.42Å; L132-L136 WeakPolarHBondContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 3.49Å; Y133-L136 PolarHBondContact O-N 2.64Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 2.92Å; L136-Y167 HydrophobicContact CD2-CD1 3.76Å; L136-Y167 HydrophobicContact CD2-CE1 3.42Å; L136-Y167 VanDerWaalsContact CD2-CE1 3.42Å; L136-Y167 HydrophobicContact CD2-CE2 4.49Å; L136-Y167 HydrophobicContact CD2-CG 4.43Å; L136-Y167 WeakPolarHBondContact O-CE1 3.39Å; L136-Y167 PolarHBondContact O-OH 3Å; L136-I191 HydrophobicContact CD1-CB 3.96Å; L136-I191 HydrophobicContact CD1-CG1 4.3Å; L136-I191 HydrophobicContact CD1-CG2 4.01Å; L136-I191 HydrophobicContact CD2-CG2 3.95Å; L136-F193 HydrophobicContact CD1-CE2 3.85Å; L136-F193 HydrophobicContact CD1-CZ 3.58Å; L136-F193 HydrophobicContact CD2-CZ 4.26Å; L136-F193 HydrophobicContact CG-CZ 3.91Å; L136-L199 HydrophobicContact CD2-CD2 3.86Å |
| 137 | D | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | trans | 47.6 | 51.9 | -176 | -174.4 | 23.5 | 0 | 0 | 0 | 112.1 | Y133 D139 G140 V141 | Y133-D137 PolarHBondContact O-N 2.05Å; D137-D139 PolarHBondContact O-N 2.89Å; D137-G140 PolarHBondContact O-N 3.09Å; D137-G140 VanDerWaalsContact O-N 3.15Å; D137-G140 WeakPolarHBondContact OD1-CA 3.27Å; D137-G140 PolarHBondContact OD1-N 3.39Å; D137-V141 WeakPolarHBondContact O-CG2 3.35Å; D137-V141 PolarHBondContact O-N 2.74Å | ||
| 138 | L | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.1 | -42.9 | -176.2 | 175.9 | 64.4 | 0 | 0 | 0 | 111.5 | Q36 W55 L136 V141 M142 I163 Y167 I189 | Q36-L138 HydrophobicContact CB-CD2 4.24Å; W55-L138 HydrophobicContact CD2-CD2 4.28Å; W55-L138 HydrophobicContact CE3-CD2 4.49Å; W55-L138 HydrophobicContact CG-CD2 4.36Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 2.92Å; L138-V141 PolarHBondContact O-N 3.17Å; L138-M142 HydrophobicContact CD1-CG 4.08Å; L138-M142 HydrophobicContact CD1-SD 4.05Å; L138-M142 HydrophobicContact CG-CG 4.41Å; L138-M142 HydrophobicContact CG-SD 4Å; L138-M142 WeakPolarHBondContact O-CB 3.4Å; L138-M142 VanDerWaalsContact O-CG 3.29Å; L138-M142 WeakPolarHBondContact O-CG 3.5Å; L138-M142 PolarHBondContact O-N 3.24Å; L138-I163 HydrophobicContact CD1-CD1 4.36Å; L138-I163 HydrophobicContact CD1-CG1 4.48Å; L138-Y167 WeakPolarHBondContact CA-OH 3.48Å; L138-Y167 HydrophobicContact CD1-CE2 4.3Å; L138-I189 HydrophobicContact CD1-CG2 4.45Å; L138-I189 HydrophobicContact CD2-CB 3.89Å; L138-I189 HydrophobicContact CD2-CD1 4.12Å; L138-I189 HydrophobicContact CD2-CG2 3.87Å |
| 139 | D | 97.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 178.3 | -176.9 | 76.3 | 0 | 0 | 0 | 111.9 | Y54 D137 V141 M142 K143 | Y54-D139 WeakPolarHBondContact CA-OD1 3.32Å; D137-D139 PolarHBondContact O-N 2.89Å; D139-V141 PolarHBondContact O-N 2.64Å; D139-M142 PolarHBondContact O-N 2.8Å; D139-K143 WeakPolarHBondContact O-CB 3.22Å; D139-K143 VanDerWaalsContact O-CG 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.3Å; D139-K143 PolarHBondContact O-N 3.1Å; D139-K143 WeakPolarHBondContact OD1-CE 3.44Å; D139-K143 IonicContact OD1-NZ 3.57Å; D139-K143 PolarHBondContact OD1-NZ 2.96Å; D139-K143 WeakPolarHBondContact OD2-CE 3.49Å; D139-K143 IonicContact OD2-NZ 3.74Å; D139-K143 PolarHBondContact OD2-NZ 2.91Å |
| 140 | G | 98.1 | Very high | 98 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D137 K144 | D137-G140 PolarHBondContact O-N 3.09Å; D137-G140 VanDerWaalsContact O-N 3.15Å; D137-G140 WeakPolarHBondContact OD1-CA 3.27Å; D137-G140 PolarHBondContact OD1-N 3.39Å; G140-K144 VanDerWaalsContact O-CB 3.29Å; G140-K144 WeakPolarHBondContact O-CB 3.4Å; G140-K144 PolarHBondContact O-N 2.98Å |
| 141 | V | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | D137 L138 D139 K143 K144 F145 F166 Y167 | D137-V141 WeakPolarHBondContact O-CG2 3.35Å; D137-V141 PolarHBondContact O-N 2.74Å; L138-V141 PolarHBondContact O-N 3.17Å; D139-V141 PolarHBondContact O-N 2.64Å; V141-K143 VanDerWaalsContact C-N 3.34Å; V141-K143 PolarHBondContact O-N 3.23Å; V141-K144 WeakPolarHBondContact O-CB 3.2Å; V141-K144 PolarHBondContact O-N 3.23Å; V141-F145 HydrophobicContact CG1-CD2 4.28Å; V141-F145 HydrophobicContact CG1-CE2 4.34Å; V141-F145 VanDerWaalsContact O-CD2 3.29Å; V141-F145 WeakPolarHBondContact O-CD2 3.04Å; V141-F145 PolarHBondContact O-N 2.83Å; V141-F166 HydrophobicContact CB-CD1 4.32Å; V141-F166 HydrophobicContact CB-CE1 4.38Å; V141-F166 HydrophobicContact CG1-CB 4Å; V141-F166 HydrophobicContact CG1-CD1 3.67Å; V141-F166 HydrophobicContact CG1-CD2 4.15Å; V141-F166 HydrophobicContact CG1-CE1 4.18Å; V141-F166 HydrophobicContact CG1-CG 3.65Å; V141-F166 HydrophobicContact CG2-CD1 3.61Å; V141-F166 HydrophobicContact CG2-CE1 3.24Å; V141-F166 HydrophobicContact CG2-CE2 4.21Å; V141-F166 HydrophobicContact CG2-CG 4.24Å; V141-F166 HydrophobicContact CG2-CZ 3.57Å; V141-Y167 HydrophobicContact CG1-CE2 4.31Å; V141-Y167 HydrophobicContact CG2-CE1 4.46Å; V141-Y167 WeakPolarHBondContact CG2-OH 3.24Å |
| 142 | M | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 177.9 | -72.2 | -179 | 72.3 | 0 | 0 | 111.2 | W55 L138 D139 K144 F145 N146 I147 L186 I189 Y234 | W55-M142 HydrophobicContact CZ2-CE 4.03Å; W55-M142 HydrophobicContact CZ2-SD 4.09Å; W55-M142 PolarHBondContact NE1-SD 2.85Å; L138-M142 HydrophobicContact CD1-CG 4.08Å; L138-M142 HydrophobicContact CD1-SD 4.05Å; L138-M142 HydrophobicContact CG-CG 4.41Å; L138-M142 HydrophobicContact CG-SD 4Å; L138-M142 WeakPolarHBondContact O-CB 3.4Å; L138-M142 VanDerWaalsContact O-CG 3.29Å; L138-M142 WeakPolarHBondContact O-CG 3.5Å; L138-M142 PolarHBondContact O-N 3.24Å; D139-M142 PolarHBondContact O-N 2.8Å; M142-K144 PolarHBondContact O-N 2.76Å; M142-F145 CarbonylContact O-C 3.54Å; M142-F145 PolarHBondContact O-N 3.39Å; M142-N146 PolarHBondContact O-N 3.08Å; M142-I147 CarbonylContact C-O 3.45Å; M142-I147 HydrophobicContact CB-CB 4.18Å; M142-I147 WeakPolarHBondContact CB-O 3.3Å; M142-I147 HydrophobicContact CE-CB 4.27Å; M142-I147 HydrophobicContact CE-CG2 3.46Å; M142-I147 VanDerWaalsContact CE-CG2 3.46Å; M142-I147 PolarHBondContact O-N 3.16Å; M142-L186 HydrophobicContact CE-CD2 4.15Å; M142-I189 HydrophobicContact CE-CD1 4.24Å; M142-I189 HydrophobicContact SD-CD1 3.89Å; M142-Y234 HydrophobicContact CE-CE1 4.04Å |
| 143 | K | 97.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.1 | -74.9 | 169.6 | -179.5 | 172 | 0 | 112.6 | D139 V141 F145 N146 V148 | D139-K143 WeakPolarHBondContact O-CB 3.22Å; D139-K143 VanDerWaalsContact O-CG 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.3Å; D139-K143 PolarHBondContact O-N 3.1Å; D139-K143 WeakPolarHBondContact OD1-CE 3.44Å; D139-K143 IonicContact OD1-NZ 3.57Å; D139-K143 PolarHBondContact OD1-NZ 2.96Å; D139-K143 WeakPolarHBondContact OD2-CE 3.49Å; D139-K143 IonicContact OD2-NZ 3.74Å; D139-K143 PolarHBondContact OD2-NZ 2.91Å; V141-K143 VanDerWaalsContact C-N 3.34Å; V141-K143 PolarHBondContact O-N 3.23Å; K143-F145 PolarHBondContact O-N 2.95Å; K143-F145 VanDerWaalsContact O-N 3.17Å; K143-N146 PolarHBondContact O-N 3.31Å; K143-V148 HydrophobicContact CB-CG1 4.5Å; K143-V148 HydrophobicContact CG-CG1 4.04Å |
| 144 | K | 97.9 | Very high | 97.5 | Very high | 146 Ų | 146 | 58.5 Ų | 58.5 | 64% | 0.635 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.8 | -30.9 | 178 | 179.2 | 179.6 | 178.7 | -179.9 | 0 | 112.9 | G140 V141 M142 | G140-K144 VanDerWaalsContact O-CB 3.29Å; G140-K144 WeakPolarHBondContact O-CB 3.4Å; G140-K144 PolarHBondContact O-N 2.98Å; V141-K144 WeakPolarHBondContact O-CB 3.2Å; V141-K144 PolarHBondContact O-N 3.23Å; M142-K144 PolarHBondContact O-N 2.76Å |
| 145 | F | 97.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 18 | 178.4 | -68.3 | -76.7 | 0 | 0 | 0 | 113.5 | V141 M142 K143 I147 I162 F166 | V141-F145 HydrophobicContact CG1-CD2 4.28Å; V141-F145 HydrophobicContact CG1-CE2 4.34Å; V141-F145 VanDerWaalsContact O-CD2 3.29Å; V141-F145 WeakPolarHBondContact O-CD2 3.04Å; V141-F145 PolarHBondContact O-N 2.83Å; M142-F145 CarbonylContact O-C 3.54Å; M142-F145 PolarHBondContact O-N 3.39Å; K143-F145 PolarHBondContact O-N 2.95Å; K143-F145 VanDerWaalsContact O-N 3.17Å; F145-I147 PolarHBondContact O-N 2.84Å; F145-I162 HydrophobicContact CB-CD1 4.01Å; F145-I162 HydrophobicContact CB-CG1 4.15Å; F145-I162 HydrophobicContact CB-CG2 3.65Å; F145-I162 HydrophobicContact CD1-CD1 3.78Å; F145-I162 HydrophobicContact CD1-CG2 4.49Å; F145-I162 HydrophobicContact CD2-CG2 3.49Å; F145-I162 VanDerWaalsContact CD2-CG2 3.49Å; F145-I162 HydrophobicContact CE1-CD1 4.4Å; F145-I162 HydrophobicContact CE2-CG2 4.25Å; F145-I162 HydrophobicContact CG-CD1 3.91Å; F145-I162 HydrophobicContact CG-CG1 4.44Å; F145-I162 HydrophobicContact CG-CG2 3.64Å; F145-F166 HydrophobicContact CE2-CB 4.37Å; F145-F166 AromaticContact CE2-CD2 3.68Å; F145-F166 HydrophobicContact CE2-CD2 3.68Å; F145-F166 HydrophobicContact CE2-CE2 4.41Å; F145-F166 HydrophobicContact CE2-CG 4.33Å; F145-F166 HydrophobicContact CZ-CD2 4.14Å |
| 146 | N | 97.1 | Very high | 97.4 | Very high | 126 Ų | 126 | 53.7 Ų | 53.7 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 28.8 | -179.8 | -55.8 | -51.5 | 0 | 0 | 0 | 114.1 | M142 K143 V148 Y154 | M142-N146 PolarHBondContact O-N 3.08Å; K143-N146 PolarHBondContact O-N 3.31Å; N146-V148 PolarHBondContact O-N 3.46Å; N146-Y154 PolarHBondContact O-OH 2.82Å |
| 147 | I | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -91.1 | 91.4 | 164.2 | -53.2 | 178.1 | 0 | 0 | 0 | 106.7 | M142 F145 Y154 I159 I162 Y234 | M142-I147 CarbonylContact C-O 3.45Å; M142-I147 HydrophobicContact CB-CB 4.18Å; M142-I147 WeakPolarHBondContact CB-O 3.3Å; M142-I147 HydrophobicContact CE-CB 4.27Å; M142-I147 HydrophobicContact CE-CG2 3.46Å; M142-I147 VanDerWaalsContact CE-CG2 3.46Å; M142-I147 PolarHBondContact O-N 3.16Å; F145-I147 PolarHBondContact O-N 2.84Å; I147-Y154 HydrophobicContact CB-CE1 4.35Å; I147-Y154 HydrophobicContact CG1-CE1 4.21Å; I147-Y154 HydrophobicContact CG2-CD1 4.46Å; I147-Y154 HydrophobicContact CG2-CE1 4.15Å; I147-Y154 HydrophobicContact CG2-CE2 4.48Å; I147-I159 HydrophobicContact CD1-CG1 4.43Å; I147-I159 HydrophobicContact CG2-CG1 4.31Å; I147-I162 HydrophobicContact CD1-CB 3.76Å; I147-I162 HydrophobicContact CD1-CG1 3.83Å; I147-I162 HydrophobicContact CD1-CG2 3.91Å; I147-Y234 HydrophobicContact CG2-CD1 4.32Å | ||
| 148 | V | 97.5 | Very high | 97.3 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | trans | -126.9 | 158 | -176.4 | -63 | 0 | 0 | 0 | 0 | 109.5 | K143 N146 S150 Y154 Y234 | K143-V148 HydrophobicContact CB-CG1 4.5Å; K143-V148 HydrophobicContact CG-CG1 4.04Å; N146-V148 PolarHBondContact O-N 3.46Å; V148-S150 PolarHBondContact O-N 3.41Å; V148-Y154 PolarHBondContact N-OH 2.76Å; V148-Y154 PolarHBondContact O-OH 3.31Å; V148-Y154 VanDerWaalsContact O-OH 3.08Å; V148-Y234 VanDerWaalsContact O-CD1 3.24Å; V148-Y234 WeakPolarHBondContact O-CD1 3.31Å | ||
| 149 | P | 97.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | trans | -57 | 130 | 175.2 | -21.7 | 31.2 | 0 | 0 | 0 | 110.9 | W38 Y234 P236 | W38-P149 HydrophobicContact CH2-CG 3.63Å; W38-P149 HydrophobicContact CZ2-CB 4.24Å; W38-P149 HydrophobicContact CZ2-CG 3.49Å; W38-P149 VanDerWaalsContact CZ2-CG 3.49Å; P149-Y234 CarbonylContact C-O 3.53Å; P149-Y234 VanDerWaalsContact CA-O 3.27Å; P149-Y234 WeakPolarHBondContact CA-O 3.15Å; P149-Y234 HydrophobicContact CB-CE1 4.46Å; P149-Y234 HydrophobicContact CB-CE2 4.49Å; P149-Y234 VanDerWaalsContact CD-CE1 3.43Å; P149-Y234 HydrophobicContact CG-CD1 4.34Å; P149-Y234 HydrophobicContact CG-CD2 4.44Å; P149-Y234 HydrophobicContact CG-CE1 3.82Å; P149-Y234 HydrophobicContact CG-CE2 3.93Å; P149-Y234 VanDerWaalsContact N-CE1 3.27Å; P149-P236 VanDerWaalsContact CB-CA 3.47Å; P149-P236 HydrophobicContact CB-CB 4.01Å | ||
| 150 | S | 95 | Very high | 97.4 | Very high | 21 Ų | 21 | 58 Ų | 58 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | trans | -152.4 | 152.3 | -170.4 | -177 | 0 | 0 | 0 | 0 | 111.9 | V148 T152 Y233 Y234 | V148-S150 PolarHBondContact O-N 3.41Å; S150-T152 PolarHBondContact O-N 2.94Å; S150-T152 PolarHBondContact OG-N 3.26Å; S150-T152 PolarHBondContact OG-OG1 2.91Å; S150-Y233 WeakPolarHBondContact O-CE2 3.39Å; S150-Y234 PolarHBondContact N-O 2.96Å | ||
| 151 | E | 93.2 | Very high | 97.4 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -71.5 | -15.4 | 168.8 | -60 | -56.3 | 148.2 | 0 | 0 | 112.5 | P236 | E151-P236 VanDerWaalsContact OE1-CG 3.31Å; E151-P236 WeakPolarHBondContact OE1-CG 3.36Å |
| 152 | T | 95.3 | Very high | 97.4 | Very high | 91 Ų | 91 | 59 Ų | 59 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -90.5 | 151.6 | 173.5 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | S150 | S150-T152 PolarHBondContact O-N 2.94Å; S150-T152 PolarHBondContact OG-N 3.26Å; S150-T152 PolarHBondContact OG-OG1 2.91Å |
| 153 | Y | 97.5 | Very high | 97.3 | Very high | 133 Ų | 133 | 59 Ų | 59 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 146.7 | -179 | -46.3 | -41.8 | 0 | 0 | 0 | 112.4 | V183 P231 V232 Y233 | Y153-V183 HydrophobicContact CD1-CG1 3.97Å; Y153-V183 HydrophobicContact CD2-CG2 4.02Å; Y153-V183 HydrophobicContact CE1-CG1 3.97Å; Y153-V183 HydrophobicContact CE1-CG2 4.36Å; Y153-V183 HydrophobicContact CE2-CG2 3.63Å; Y153-V183 HydrophobicContact CG-CG1 4.29Å; Y153-P231 HydrophobicContact CD2-CB 4.14Å; Y153-P231 HydrophobicContact CG-CB 4.22Å; Y153-V232 WeakPolarHBondContact CA-O 3.48Å; Y153-Y233 AromaticContact CD1-CD2 3.97Å; Y153-Y233 HydrophobicContact CD1-CD2 3.97Å; Y153-Y233 HydrophobicContact CD1-CG 4.36Å; Y153-Y233 AromaticContact CE1-CD2 3.86Å; Y153-Y233 HydrophobicContact CE1-CD2 3.86Å; Y153-Y233 HydrophobicContact CE1-CG 4.22Å |
| 154 | Y | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 158.9 | 169.3 | -66.6 | -89.8 | 0 | 0 | 0 | 110.1 | N146 I147 V148 H158 I159 V232 Y234 | N146-Y154 PolarHBondContact O-OH 2.82Å; I147-Y154 HydrophobicContact CB-CE1 4.35Å; I147-Y154 HydrophobicContact CG1-CE1 4.21Å; I147-Y154 HydrophobicContact CG2-CD1 4.46Å; I147-Y154 HydrophobicContact CG2-CE1 4.15Å; I147-Y154 HydrophobicContact CG2-CE2 4.48Å; V148-Y154 PolarHBondContact N-OH 2.76Å; V148-Y154 PolarHBondContact O-OH 3.31Å; V148-Y154 VanDerWaalsContact O-OH 3.08Å; Y154-H158 AromaticContact CD1-ND1 3.65Å; Y154-I159 HydrophobicContact CG-CD1 4.31Å; Y154-I159 HydrophobicContact CG-CG1 4.29Å; Y154-V232 PolarHBondContact N-O 3.25Å; Y154-V232 PolarHBondContact O-N 3.22Å; Y154-Y234 HydrophobicContact CE2-CD1 4.48Å |
| 155 | T | 98.1 | Very high | 97.3 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 150.6 | 160.1 | 62.1 | 0 | 0 | 0 | 0 | 109 | D157 H158 I159 | T155-D157 VanDerWaalsContact C-N 3.31Å; T155-D157 PolarHBondContact O-N 3.22Å; T155-H158 PolarHBondContact O-N 3.06Å; T155-H158 VanDerWaalsContact OG1-CB 3.26Å; T155-H158 WeakPolarHBondContact OG1-CB 3.4Å; T155-H158 PolarHBondContact OG1-N 3.22Å; T155-I159 PolarHBondContact O-N 3.48Å |
| 156 | F | 97.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.3 | -48.9 | 173.8 | 175.6 | -86.6 | 0 | 0 | 0 | 111.1 | H158 I159 E160 I173 C226 H228 V232 | F156-H158 PolarHBondContact O-N 3.33Å; F156-H158 VanDerWaalsContact O-N 3.16Å; F156-I159 PolarHBondContact O-N 2.8Å; F156-E160 HydrophobicContact CD1-CB 4.27Å; F156-E160 HydrophobicContact CE1-CB 3.78Å; F156-E160 VanDerWaalsContact CE1-CD 3.42Å; F156-E160 HydrophobicContact CE1-CG 4.16Å; F156-E160 WeakPolarHBondContact CE1-OE1 3.43Å; F156-E160 HydrophobicContact CZ-CB 4.2Å; F156-E160 HydrophobicContact CZ-CG 4.44Å; F156-E160 WeakPolarHBondContact CZ-OE1 3.17Å; F156-E160 PolarHBondContact O-N 2.83Å; F156-I173 HydrophobicContact CE2-CB 3.93Å; F156-I173 HydrophobicContact CE2-CD1 4.17Å; F156-I173 HydrophobicContact CE2-CG1 4.46Å; F156-I173 HydrophobicContact CZ-CD1 4.35Å; F156-C226 HydrophobicContact CD2-CB 3.59Å; F156-C226 HydrophobicContact CE2-CB 3.77Å; F156-H228 HydrophobicContact CD1-CB 4.3Å; F156-H228 AromaticContact CD1-CE1 3.71Å; F156-H228 AromaticContact CD1-CG 3.72Å; F156-H228 AromaticContact CD1-ND1 3.42Å; F156-H228 WeakPolarHBondContact CD1-ND1 3.45Å; F156-H228 AromaticContact CE1-CD2 3.96Å; F156-H228 AromaticContact CE1-CE1 3.12Å; F156-H228 WeakPolarHBondContact CE1-CE1 3.49Å; F156-H228 AromaticContact CE1-CG 3.88Å; F156-H228 AromaticContact CE1-ND1 3.36Å; F156-H228 WeakPolarHBondContact CE1-ND1 3.48Å; F156-H228 AromaticContact CE1-NE2 3.54Å; F156-H228 AromaticContact CZ-CE1 3.72Å; F156-H228 AromaticContact CZ-NE2 3.67Å; F156-V232 HydrophobicContact CB-CG2 4.31Å |
| 157 | D | 97.6 | Very high | 97.4 | Very high | 101 Ų | 101 | 52 Ų | 52 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59 | -30.7 | -178.5 | -63.6 | -14.3 | 0 | 0 | 0 | 113 | T155 G161 H228 | T155-D157 VanDerWaalsContact C-N 3.31Å; T155-D157 PolarHBondContact O-N 3.22Å; D157-G161 WeakPolarHBondContact O-CA 3.35Å; D157-G161 PolarHBondContact O-N 3.4Å; D157-H228 IonicContact OD1-ND1 3.74Å |
| 158 | H | 98.1 | Very high | 97.4 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 175.9 | -176.9 | -163.2 | 0 | 0 | 0 | 111 | Y154 T155 F156 I162 | Y154-H158 AromaticContact CD1-ND1 3.65Å; T155-H158 PolarHBondContact O-N 3.06Å; T155-H158 VanDerWaalsContact OG1-CB 3.26Å; T155-H158 WeakPolarHBondContact OG1-CB 3.4Å; T155-H158 PolarHBondContact OG1-N 3.22Å; F156-H158 PolarHBondContact O-N 3.33Å; F156-H158 VanDerWaalsContact O-N 3.16Å; H158-I162 WeakPolarHBondContact O-CG1 3.41Å; H158-I162 PolarHBondContact O-N 2.74Å |
| 159 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -50.9 | 178.7 | -58.1 | 170.7 | 0 | 0 | 0 | 110.3 | I147 Y154 T155 F156 G161 I162 I163 I173 L186 V232 | I147-I159 HydrophobicContact CD1-CG1 4.43Å; I147-I159 HydrophobicContact CG2-CG1 4.31Å; Y154-I159 HydrophobicContact CG-CD1 4.31Å; Y154-I159 HydrophobicContact CG-CG1 4.29Å; T155-I159 PolarHBondContact O-N 3.48Å; F156-I159 PolarHBondContact O-N 2.8Å; I159-G161 PolarHBondContact O-N 3.2Å; I159-I162 PolarHBondContact O-N 2.88Å; I159-I163 HydrophobicContact CG2-CD1 3.89Å; I159-I163 WeakPolarHBondContact O-CG1 3.28Å; I159-I163 PolarHBondContact O-N 2.97Å; I159-I173 HydrophobicContact CB-CD1 4.29Å; I159-I173 HydrophobicContact CG2-CD1 3.81Å; I159-L186 HydrophobicContact CD1-CD2 4.2Å; I159-V232 HydrophobicContact CD1-CB 4.01Å; I159-V232 HydrophobicContact CD1-CG1 3.71Å; I159-V232 HydrophobicContact CD1-CG2 4.42Å |
| 160 | E | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 179.7 | -172.7 | 179.9 | -113.1 | 0 | 0 | 111.5 | F156 I162 I163 L164 K170 P171 I173 | F156-E160 HydrophobicContact CD1-CB 4.27Å; F156-E160 HydrophobicContact CE1-CB 3.78Å; F156-E160 VanDerWaalsContact CE1-CD 3.42Å; F156-E160 HydrophobicContact CE1-CG 4.16Å; F156-E160 WeakPolarHBondContact CE1-OE1 3.43Å; F156-E160 HydrophobicContact CZ-CB 4.2Å; F156-E160 HydrophobicContact CZ-CG 4.44Å; F156-E160 WeakPolarHBondContact CZ-OE1 3.17Å; F156-E160 PolarHBondContact O-N 2.83Å; E160-I162 VanDerWaalsContact C-N 3.35Å; E160-I162 PolarHBondContact O-N 2.81Å; E160-I163 PolarHBondContact O-N 2.84Å; E160-L164 WeakPolarHBondContact O-CB 3.15Å; E160-L164 PolarHBondContact O-N 2.94Å; E160-K170 VanDerWaalsContact CD-CE 3.46Å; E160-K170 WeakPolarHBondContact OE1-CE 3.39Å; E160-K170 IonicContact OE1-NZ 3.99Å; E160-P171 HydrophobicContact CG-CG 4.15Å; E160-I173 HydrophobicContact CB-CD1 3.83Å; E160-I173 HydrophobicContact CG-CD1 4.43Å |
| 161 | G | 98 | Very high | 97.4 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -40 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D157 I159 N165 | D157-G161 WeakPolarHBondContact O-CA 3.35Å; D157-G161 PolarHBondContact O-N 3.4Å; I159-G161 PolarHBondContact O-N 3.2Å; G161-N165 WeakPolarHBondContact O-CB 3.34Å; G161-N165 PolarHBondContact O-N 2.81Å; G161-N165 PolarHBondContact O-ND2 3.11Å |
| 162 | I | 97.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 176.1 | -72.6 | -56.4 | 0 | 0 | 0 | 111.4 | F145 I147 H158 I159 E160 N165 F166 | F145-I162 HydrophobicContact CB-CD1 4.01Å; F145-I162 HydrophobicContact CB-CG1 4.15Å; F145-I162 HydrophobicContact CB-CG2 3.65Å; F145-I162 HydrophobicContact CD1-CD1 3.78Å; F145-I162 HydrophobicContact CD1-CG2 4.49Å; F145-I162 HydrophobicContact CD2-CG2 3.49Å; F145-I162 VanDerWaalsContact CD2-CG2 3.49Å; F145-I162 HydrophobicContact CE1-CD1 4.4Å; F145-I162 HydrophobicContact CE2-CG2 4.25Å; F145-I162 HydrophobicContact CG-CD1 3.91Å; F145-I162 HydrophobicContact CG-CG1 4.44Å; F145-I162 HydrophobicContact CG-CG2 3.64Å; I147-I162 HydrophobicContact CD1-CB 3.76Å; I147-I162 HydrophobicContact CD1-CG1 3.83Å; I147-I162 HydrophobicContact CD1-CG2 3.91Å; H158-I162 WeakPolarHBondContact O-CG1 3.41Å; H158-I162 PolarHBondContact O-N 2.74Å; I159-I162 PolarHBondContact O-N 2.88Å; E160-I162 VanDerWaalsContact C-N 3.35Å; E160-I162 PolarHBondContact O-N 2.81Å; I162-N165 PolarHBondContact O-N 3.34Å; I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 3.13Å |
| 163 | I | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | -178.6 | -62.9 | 171 | 0 | 0 | 0 | 110 | L138 I159 E160 F166 Y167 P171 I173 I189 I191 | L138-I163 HydrophobicContact CD1-CD1 4.36Å; L138-I163 HydrophobicContact CD1-CG1 4.48Å; I159-I163 HydrophobicContact CG2-CD1 3.89Å; I159-I163 WeakPolarHBondContact O-CG1 3.28Å; I159-I163 PolarHBondContact O-N 2.97Å; E160-I163 PolarHBondContact O-N 2.84Å; I163-F166 PolarHBondContact O-N 3.2Å; I163-Y167 HydrophobicContact CG2-CD2 3.67Å; I163-Y167 HydrophobicContact CG2-CE2 4.02Å; I163-Y167 WeakPolarHBondContact O-CD2 3.39Å; I163-Y167 PolarHBondContact O-N 2.99Å; I163-P171 HydrophobicContact CB-CG 3.98Å; I163-P171 HydrophobicContact CD1-CG 4.41Å; I163-P171 HydrophobicContact CG2-CB 3.73Å; I163-P171 HydrophobicContact CG2-CG 3.63Å; I163-I173 HydrophobicContact CD1-CD1 4.36Å; I163-I189 HydrophobicContact CD1-CD1 3.91Å; I163-I189 HydrophobicContact CD1-CG2 4.29Å; I163-I191 HydrophobicContact CG2-CD1 3.71Å |
| 164 | L | 97.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 175.6 | 174.3 | 61.7 | 0 | 0 | 0 | 111.7 | E160 F166 S168 V169 K170 | E160-L164 WeakPolarHBondContact O-CB 3.15Å; E160-L164 PolarHBondContact O-N 2.94Å; L164-F166 VanDerWaalsContact C-N 3.32Å; L164-F166 PolarHBondContact O-N 3.49Å; L164-S168 WeakPolarHBondContact O-CA 3.5Å; L164-S168 PolarHBondContact O-N 3.18Å; L164-V169 VanDerWaalsContact CD1-C 3.49Å; L164-K170 HydrophobicContact CD1-CB 4.35Å |
| 165 | N | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 42.1 Ų | 42.1 | 67% | 0.674 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.9 | -34.4 | -178 | -72.8 | -25 | 0 | 0 | 0 | 112.4 | G161 I162 | G161-N165 WeakPolarHBondContact O-CB 3.34Å; G161-N165 PolarHBondContact O-N 2.81Å; G161-N165 PolarHBondContact O-ND2 3.11Å; I162-N165 PolarHBondContact O-N 3.34Å |
| 166 | F | 98.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 39.2 Ų | 39.2 | 37% | 0.373 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -76.1 | -47.7 | -179.5 | -170.7 | -92.4 | 0 | 0 | 0 | 112.3 | V141 F145 I162 I163 L164 | V141-F166 HydrophobicContact CB-CD1 4.32Å; V141-F166 HydrophobicContact CB-CE1 4.38Å; V141-F166 HydrophobicContact CG1-CB 4Å; V141-F166 HydrophobicContact CG1-CD1 3.67Å; V141-F166 HydrophobicContact CG1-CD2 4.15Å; V141-F166 HydrophobicContact CG1-CE1 4.18Å; V141-F166 HydrophobicContact CG1-CG 3.65Å; V141-F166 HydrophobicContact CG2-CD1 3.61Å; V141-F166 HydrophobicContact CG2-CE1 3.24Å; V141-F166 HydrophobicContact CG2-CE2 4.21Å; V141-F166 HydrophobicContact CG2-CG 4.24Å; V141-F166 HydrophobicContact CG2-CZ 3.57Å; F145-F166 HydrophobicContact CE2-CB 4.37Å; F145-F166 AromaticContact CE2-CD2 3.68Å; F145-F166 HydrophobicContact CE2-CD2 3.68Å; F145-F166 HydrophobicContact CE2-CE2 4.41Å; F145-F166 HydrophobicContact CE2-CG 4.33Å; F145-F166 HydrophobicContact CZ-CD2 4.14Å; I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 3.13Å; I163-F166 PolarHBondContact O-N 3.2Å; L164-F166 VanDerWaalsContact C-N 3.32Å; L164-F166 PolarHBondContact O-N 3.49Å |
| 167 | Y | 97.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 7% | 0.071 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -93 | -7.1 | -176.3 | -61.7 | -63.9 | 0 | 0 | 0 | 114.1 | L136 L138 V141 I163 V169 I191 L199 | L136-Y167 HydrophobicContact CD2-CD1 3.76Å; L136-Y167 HydrophobicContact CD2-CE1 3.42Å; L136-Y167 VanDerWaalsContact CD2-CE1 3.42Å; L136-Y167 HydrophobicContact CD2-CE2 4.49Å; L136-Y167 HydrophobicContact CD2-CG 4.43Å; L136-Y167 WeakPolarHBondContact O-CE1 3.39Å; L136-Y167 PolarHBondContact O-OH 3Å; L138-Y167 WeakPolarHBondContact CA-OH 3.48Å; L138-Y167 HydrophobicContact CD1-CE2 4.3Å; V141-Y167 HydrophobicContact CG1-CE2 4.31Å; V141-Y167 HydrophobicContact CG2-CE1 4.46Å; V141-Y167 WeakPolarHBondContact CG2-OH 3.24Å; I163-Y167 HydrophobicContact CG2-CD2 3.67Å; I163-Y167 HydrophobicContact CG2-CE2 4.02Å; I163-Y167 WeakPolarHBondContact O-CD2 3.39Å; I163-Y167 PolarHBondContact O-N 2.99Å; Y167-V169 PolarHBondContact O-N 2.79Å; Y167-V169 VanDerWaalsContact O-N 3.15Å; Y167-I191 HydrophobicContact CD2-CD1 4.42Å; Y167-L199 HydrophobicContact CD1-CD1 4.22Å |
| 168 | S | 97.7 | Very high | 97.1 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 57.4 | 20.7 | -174.4 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | L164 | L164-S168 WeakPolarHBondContact O-CA 3.5Å; L164-S168 PolarHBondContact O-N 3.18Å |
| 169 | V | 96.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -138.7 | 145.9 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 110.4 | L164 Y167 P171 L199 N201 | L164-V169 VanDerWaalsContact CD1-C 3.49Å; Y167-V169 PolarHBondContact O-N 2.79Å; Y167-V169 VanDerWaalsContact O-N 3.15Å; V169-P171 WeakPolarHBondContact O-CD 3.18Å; V169-L199 HydrophobicContact CG1-CB 3.87Å; V169-L199 HydrophobicContact CG2-CB 4.01Å; V169-L199 HydrophobicContact CG2-CD2 4.24Å; V169-N201 WeakPolarHBondContact CA-OD1 3.26Å |
| 170 | K | 96.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | -77.3 | 120.9 | -179 | -166.6 | 170.9 | -177.3 | -170.3 | 0 | 110.6 | E160 L164 N201 C202 E203 | E160-K170 VanDerWaalsContact CD-CE 3.46Å; E160-K170 WeakPolarHBondContact OE1-CE 3.39Å; E160-K170 IonicContact OE1-NZ 3.99Å; L164-K170 HydrophobicContact CD1-CB 4.35Å; K170-N201 PolarHBondContact N-OD1 2.86Å; K170-C202 PolarHBondContact O-N 3.28Å; K170-C202 VanDerWaalsContact O-N 3.12Å; K170-E203 HydrophobicContact CD-CG 4.28Å; K170-E203 VanDerWaalsContact CE-OE1 3.24Å; K170-E203 WeakPolarHBondContact CE-OE1 3.45Å; K170-E203 IonicContact NZ-OE1 2.63Å; K170-E203 PolarHBondContact NZ-OE1 2.76Å; K170-E203 IonicContact NZ-OE2 2.95Å; K170-E203 PolarHBondContact NZ-OE2 3.27Å | ||
| 171 | P | 97.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | trans | -73.8 | 169.9 | 173.5 | 35.5 | -38.5 | 0 | 0 | 0 | 110.6 | E160 I163 V169 I173 I189 E190 I191 | E160-P171 HydrophobicContact CG-CG 4.15Å; I163-P171 HydrophobicContact CB-CG 3.98Å; I163-P171 HydrophobicContact CD1-CG 4.41Å; I163-P171 HydrophobicContact CG2-CB 3.73Å; I163-P171 HydrophobicContact CG2-CG 3.63Å; V169-P171 WeakPolarHBondContact O-CD 3.18Å; P171-I173 HydrophobicContact CB-CG1 4.3Å; P171-I173 HydrophobicContact CG-CD1 4.16Å; P171-I173 HydrophobicContact CG-CG1 4Å; P171-I189 HydrophobicContact CB-CG2 4.35Å; P171-E190 WeakPolarHBondContact CA-O 3.35Å; P171-I191 HydrophobicContact CB-CD1 3.7Å | ||
| 172 | K | 97.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.6 | 157.9 | 177.2 | -148.9 | -174.1 | -171.4 | 0 | 108.3 | Q174 E190 C202 V225 | K172-Q174 HydrophobicContact CD-CG 4.38Å; K172-Q174 HydrophobicContact CG-CG 4.45Å; K172-E190 HydrophobicContact CB-CB 4.12Å; K172-E190 HydrophobicContact CD-CB 4.38Å; K172-E190 VanDerWaalsContact CD-CD 3.49Å; K172-E190 HydrophobicContact CD-CG 4.37Å; K172-E190 WeakPolarHBondContact CD-OE2 3.44Å; K172-E190 PolarHBondContact N-O 3.47Å; K172-E190 VanDerWaalsContact NZ-CD 3.26Å; K172-E190 IonicContact NZ-OE1 3.93Å; K172-E190 PolarHBondContact NZ-OE1 3.02Å; K172-E190 IonicContact NZ-OE2 3.88Å; K172-E190 PolarHBondContact NZ-OE2 3.49Å; K172-E190 PolarHBondContact O-N 2.94Å; K172-C202 HydrophobicContact CB-CB 4.08Å; K172-V225 HydrophobicContact CG-CG2 4.28Å |
| 173 | I | 98.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.1 | -176.2 | -51 | 175.4 | 0 | 0 | 0 | 108.1 | F156 I159 E160 I163 P171 L186 I189 C226 | F156-I173 HydrophobicContact CE2-CB 3.93Å; F156-I173 HydrophobicContact CE2-CD1 4.17Å; F156-I173 HydrophobicContact CE2-CG1 4.46Å; F156-I173 HydrophobicContact CZ-CD1 4.35Å; I159-I173 HydrophobicContact CB-CD1 4.29Å; I159-I173 HydrophobicContact CG2-CD1 3.81Å; E160-I173 HydrophobicContact CB-CD1 3.83Å; E160-I173 HydrophobicContact CG-CD1 4.43Å; I163-I173 HydrophobicContact CD1-CD1 4.36Å; P171-I173 HydrophobicContact CB-CG1 4.3Å; P171-I173 HydrophobicContact CG-CD1 4.16Å; P171-I173 HydrophobicContact CG-CG1 4Å; I173-L186 HydrophobicContact CG2-CD1 3.42Å; I173-L186 VanDerWaalsContact CG2-CD1 3.42Å; I173-I189 HydrophobicContact CG2-CG1 4.22Å; I173-C226 PolarHBondContact O-N 3.05Å |
| 174 | Q | 98 | Very high | 94.1 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.6 | -177.3 | -64.6 | 167.2 | -83.8 | 0 | 0 | 111.8 | K172 G187 Q188 E190 F223 S224 | K172-Q174 HydrophobicContact CD-CG 4.38Å; K172-Q174 HydrophobicContact CG-CG 4.45Å; Q174-G187 PolarHBondContact O-N 3.32Å; Q174-Q188 HydrophobicContact CB-CB 4.13Å; Q174-Q188 PolarHBondContact N-O 2.88Å; Q174-Q188 PolarHBondContact O-N 2.96Å; Q174-E190 PolarHBondContact OE1-OE1 2.8Å; Q174-F223 HydrophobicContact CB-CB 3.99Å; Q174-F223 PolarHBondContact NE2-O 2.84Å; Q174-S224 CarbonylContact C-O 3.57Å; Q174-S224 WeakPolarHBondContact CA-O 3.22Å; Q174-S224 WeakPolarHBondContact CB-O 3.28Å |
| 175 | C | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161.6 | -174 | -71 | 0 | 0 | 0 | 0 | 110.8 | Q184 I185 S224 C226 | C175-Q184 HydrophobicContact CB-CB 3.93Å; C175-Q184 HydrophobicContact CB-CG 4.08Å; C175-Q184 VanDerWaalsContact SG-CD 3.58Å; C175-Q184 PolarHBondContact SG-OE1 2.85Å; C175-I185 CarbonylContact C-O 3.57Å; C175-I185 WeakPolarHBondContact CA-O 3.45Å; C175-I185 WeakPolarHBondContact CB-O 3.32Å; C175-S224 PolarHBondContact N-O 3.24Å; C175-S224 PolarHBondContact O-N 2.87Å; C175-C226 HydrophobicContact CB-CB 3.96Å; C175-C226 WeakPolarHBondContact CB-SG 3.01Å; C175-C226 PolarHBondContact N-SG 3.21Å; C175-C226 WeakPolarHBondContact SG-CB 3.26Å; C175-C226 CovalentContact SG-SG 2.03Å; C175-C226 PolarHBondContact SG-SG 2.96Å |
| 176 | I | 95.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.1 | 156.8 | -52.3 | 174.4 | 0 | 0 | 0 | 107.9 | T41 M45 P178 Q184 I185 F223 | T41-I176 HydrophobicContact CG2-CD1 3.29Å; T41-I176 HydrophobicContact CG2-CG1 3.72Å; M45-I176 HydrophobicContact CE-CD1 3.83Å; M45-I176 HydrophobicContact CE-CG1 4.07Å; M45-I176 HydrophobicContact CG-CD1 3.28Å; M45-I176 HydrophobicContact CG-CG1 4.16Å; M45-I176 HydrophobicContact SD-CD1 3.3Å; M45-I176 WeakPolarHBondContact SD-CD1 3.44Å; M45-I176 HydrophobicContact SD-CG1 3.5Å; M45-I176 WeakPolarHBondContact SD-CG1 3.47Å; M45-I176 HydrophobicContact SD-CG2 4.39Å; I176-P178 VanDerWaalsContact O-CD 3.3Å; I176-P178 WeakPolarHBondContact O-CD 3.46Å; I176-Q184 WeakPolarHBondContact O-CA 3.36Å; I176-I185 HydrophobicContact CB-CB 4.32Å; I176-I185 PolarHBondContact N-O 3.31Å; I176-I185 PolarHBondContact O-N 2.97Å; I176-F223 HydrophobicContact CD1-CE1 4.28Å; I176-F223 HydrophobicContact CG1-CD1 3.97Å; I176-F223 HydrophobicContact CG1-CE1 3.86Å |
| 177 | H | 93.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | trans | -112.8 | 89.9 | 176.2 | -61.1 | -91.3 | 0 | 0 | 0 | 110.2 | K179 Q184 S224 V225 | H177-K179 PolarHBondContact O-N 3.37Å; H177-Q184 PolarHBondContact CE1-OE1 3Å; H177-S224 PolarHBondContact CD2-OG 2.98Å; H177-S224 PolarHBondContact NE2-OG 3.02Å; H177-S224 VanDerWaalsContact NE2-OG 3.1Å; H177-V225 PolarHBondContact NE2-O 2.85Å | ||
| 178 | P | 89.6 | Confident | 94.1 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | trans | -55.1 | 135.6 | 176.7 | -24.7 | 33.6 | 0 | 0 | 0 | 111.5 | I176 G180 G181 I185 | I176-P178 VanDerWaalsContact O-CD 3.3Å; I176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-G180 PolarHBondContact O-N 3.19Å; P178-G180 VanDerWaalsContact O-N 3.16Å; P178-G181 PolarHBondContact O-N 3.01Å; P178-I185 HydrophobicContact CG-CD1 3.93Å; P178-I185 HydrophobicContact CG-CG1 4.11Å | ||
| 179 | K | 84.8 | Confident | 94.2 | Very high | 192 Ų | 192 | 41.6 Ų | 41.6 | 84% | 0.835 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 121.3 | 179.7 | -71.2 | -177.4 | -179.1 | 174.8 | 0 | 110.3 | H177 G181 | H177-K179 PolarHBondContact O-N 3.37Å; K179-G181 PolarHBondContact O-N 3.42Å |
| 180 | G | 78.9 | Confident | 94.3 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 90% | 0.897 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 8.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P178 | P178-G180 PolarHBondContact O-N 3.19Å; P178-G180 VanDerWaalsContact O-N 3.16Å |
| 181 | G | 78.3 | Confident | 94.4 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | trans | -70.5 | 141.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P178 K179 V183 | P178-G181 PolarHBondContact O-N 3.01Å; K179-G181 PolarHBondContact O-N 3.42Å; G181-V183 VanDerWaalsContact C-N 3.27Å | ||
| 182 | K | 91.2 | Very high | 94.4 | Very high | 186 Ų | 186 | 39.3 Ų | 39.3 | 81% | 0.809 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -89.3 | 2.3 | 169.2 | -59.6 | -175.3 | 178.7 | 179.7 | 0 | 112.6 | ||
| 183 | V | 95.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 17% | 0.17 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -143.2 | 138.7 | -171.2 | -178.3 | 0 | 0 | 0 | 0 | 106.8 | Y153 G181 P231 | Y153-V183 HydrophobicContact CD1-CG1 3.97Å; Y153-V183 HydrophobicContact CD2-CG2 4.02Å; Y153-V183 HydrophobicContact CE1-CG1 3.97Å; Y153-V183 HydrophobicContact CE1-CG2 4.36Å; Y153-V183 HydrophobicContact CE2-CG2 3.63Å; Y153-V183 HydrophobicContact CG-CG1 4.29Å; G181-V183 VanDerWaalsContact C-N 3.27Å; V183-P231 WeakPolarHBondContact CA-O 3.44Å; V183-P231 WeakPolarHBondContact CG1-O 3.32Å |
| 184 | Q | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 156.5 | 173.2 | 62.9 | -173.9 | -28 | 0 | 0 | 109.8 | C175 I176 H177 C226 D227 T230 P231 V232 Y233 | C175-Q184 HydrophobicContact CB-CB 3.93Å; C175-Q184 HydrophobicContact CB-CG 4.08Å; C175-Q184 VanDerWaalsContact SG-CD 3.58Å; C175-Q184 PolarHBondContact SG-OE1 2.85Å; I176-Q184 WeakPolarHBondContact O-CA 3.36Å; H177-Q184 PolarHBondContact CE1-OE1 3Å; Q184-C226 VanDerWaalsContact OE1-CB 3.26Å; Q184-D227 PolarHBondContact NE2-O 3.14Å; Q184-T230 HydrophobicContact CB-CG2 4.1Å; Q184-T230 HydrophobicContact CG-CG2 4Å; Q184-T230 PolarHBondContact NE2-O 3.16Å; Q184-P231 WeakPolarHBondContact CG-O 3.47Å; Q184-P231 PolarHBondContact N-O 3.28Å; Q184-V232 HydrophobicContact CG-CB 4.5Å; Q184-V232 HydrophobicContact CG-CG2 4.03Å; Q184-Y233 PolarHBondContact O-N 3.06Å |
| 185 | I | 97.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 17% | 0.169 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.8 | -172.5 | -47.8 | 178.9 | 0 | 0 | 0 | 109.2 | T41 C175 I176 P178 G187 Y233 P235 | T41-I185 HydrophobicContact CG2-CB 4.22Å; T41-I185 HydrophobicContact CG2-CG2 3.68Å; C175-I185 CarbonylContact C-O 3.57Å; C175-I185 WeakPolarHBondContact CA-O 3.45Å; C175-I185 WeakPolarHBondContact CB-O 3.32Å; I176-I185 HydrophobicContact CB-CB 4.32Å; I176-I185 PolarHBondContact N-O 3.31Å; I176-I185 PolarHBondContact O-N 2.97Å; P178-I185 HydrophobicContact CG-CD1 3.93Å; P178-I185 HydrophobicContact CG-CG1 4.11Å; I185-G187 PolarHBondContact O-N 3.34Å; I185-Y233 WeakPolarHBondContact CA-O 3.49Å; I185-Y233 HydrophobicContact CG1-CD1 4.31Å; I185-Y233 HydrophobicContact CG2-CD1 4.11Å; I185-P235 HydrophobicContact CG2-CG 3.81Å |
| 186 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 124.9 | 179.3 | -178.9 | 59.7 | 0 | 0 | 0 | 110.5 | T41 W55 M142 I159 I173 I189 V232 Y233 Y234 | T41-L186 VanDerWaalsContact CB-O 3.29Å; T41-L186 WeakPolarHBondContact CB-O 3.29Å; T41-L186 WeakPolarHBondContact CG2-O 3.45Å; T41-L186 PolarHBondContact OG1-O 3.47Å; W55-L186 HydrophobicContact CH2-CD1 4.18Å; W55-L186 HydrophobicContact CH2-CD2 4.06Å; W55-L186 HydrophobicContact CH2-CG 3.8Å; W55-L186 HydrophobicContact CZ2-CD2 3.71Å; W55-L186 HydrophobicContact CZ2-CG 3.97Å; M142-L186 HydrophobicContact CE-CD2 4.15Å; I159-L186 HydrophobicContact CD1-CD2 4.2Å; I173-L186 HydrophobicContact CG2-CD1 3.42Å; I173-L186 VanDerWaalsContact CG2-CD1 3.42Å; L186-I189 HydrophobicContact CD1-CD1 4.45Å; L186-I189 HydrophobicContact CD1-CG1 4.36Å; L186-V232 HydrophobicContact CB-CG1 3.68Å; L186-Y233 PolarHBondContact N-O 3.16Å; L186-Y234 HydrophobicContact CD2-CD1 4.46Å; L186-Y234 HydrophobicContact CD2-CD2 4Å; L186-Y234 HydrophobicContact CD2-CE2 4.49Å; L186-Y234 HydrophobicContact CD2-CG 4.01Å |
| 187 | G | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | -39.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H37 W38 Q174 I185 | H37-G187 CarbonylContact C-O 2.97Å; H37-G187 VanDerWaalsContact CA-O 3.24Å; H37-G187 WeakPolarHBondContact CA-O 3.37Å; H37-G187 WeakPolarHBondContact CB-O 3.47Å; W38-G187 PolarHBondContact N-O 2.88Å; Q174-G187 PolarHBondContact O-N 3.32Å; I185-G187 PolarHBondContact O-N 3.34Å |
| 188 | Q | 98.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 140.9 | -175.5 | 174.5 | 167.2 | -66.9 | 0 | 0 | 110.7 | T35 Q36 H37 H58 Q174 E190 F223 | T35-Q188 HydrophobicContact CG2-CG 3.52Å; T35-Q188 VanDerWaalsContact CG2-NE2 3.26Å; T35-Q188 VanDerWaalsContact CG2-OE1 3.29Å; Q36-Q188 CarbonylContact O-C 3.48Å; Q36-Q188 VanDerWaalsContact O-CA 3.29Å; Q36-Q188 WeakPolarHBondContact O-CA 3.26Å; Q36-Q188 WeakPolarHBondContact O-CG 3.37Å; H37-Q188 HydrophobicContact CB-CB 4.38Å; H58-Q188 PolarHBondContact ND1-OE1 3.45Å; Q174-Q188 HydrophobicContact CB-CB 4.13Å; Q174-Q188 PolarHBondContact N-O 2.88Å; Q174-Q188 PolarHBondContact O-N 2.96Å; Q188-E190 PolarHBondContact NE2-OE1 2.93Å; Q188-F223 HydrophobicContact CB-CB 4.45Å; Q188-F223 HydrophobicContact CB-CD2 3.87Å; Q188-F223 HydrophobicContact CB-CE2 4.22Å; Q188-F223 HydrophobicContact CB-CG 4.08Å |
| 189 | I | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.8 | 173.7 | -65.8 | 171.6 | 0 | 0 | 0 | 107.5 | Q36 W55 L138 M142 I163 P171 I173 L186 I191 | Q36-I189 PolarHBondContact N-O 2.9Å; Q36-I189 PolarHBondContact O-N 3.37Å; W55-I189 HydrophobicContact CH2-CB 4.46Å; W55-I189 HydrophobicContact CH2-CD1 3.6Å; W55-I189 HydrophobicContact CH2-CG1 3.71Å; W55-I189 HydrophobicContact CZ2-CD1 3.66Å; W55-I189 HydrophobicContact CZ2-CG1 4.31Å; W55-I189 HydrophobicContact CZ3-CB 4.28Å; W55-I189 HydrophobicContact CZ3-CD1 4.2Å; W55-I189 HydrophobicContact CZ3-CG1 4.02Å; L138-I189 HydrophobicContact CD1-CG2 4.45Å; L138-I189 HydrophobicContact CD2-CB 3.89Å; L138-I189 HydrophobicContact CD2-CD1 4.12Å; L138-I189 HydrophobicContact CD2-CG2 3.87Å; M142-I189 HydrophobicContact CE-CD1 4.24Å; M142-I189 HydrophobicContact SD-CD1 3.89Å; I163-I189 HydrophobicContact CD1-CD1 3.91Å; I163-I189 HydrophobicContact CD1-CG2 4.29Å; P171-I189 HydrophobicContact CB-CG2 4.35Å; I173-I189 HydrophobicContact CG2-CG1 4.22Å; L186-I189 HydrophobicContact CD1-CD1 4.45Å; L186-I189 HydrophobicContact CD1-CG1 4.36Å; I189-I191 HydrophobicContact CG2-CD1 4.13Å; I189-I191 HydrophobicContact CG2-CG1 4.37Å |
| 190 | E | 98.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.1 | 175.5 | -72.9 | 177.1 | -158.1 | 0 | 0 | 109.1 | I33 L34 T35 P171 K172 Q174 Q188 C202 | I33-E190 HydrophobicContact CG2-CB 3.62Å; I33-E190 HydrophobicContact CG2-CG 3.6Å; I33-E190 WeakPolarHBondContact CG2-OE2 3.4Å; L34-E190 WeakPolarHBondContact O-CA 3.15Å; T35-E190 HydrophobicContact CG2-CG 3.97Å; P171-E190 WeakPolarHBondContact CA-O 3.35Å; K172-E190 HydrophobicContact CB-CB 4.12Å; K172-E190 HydrophobicContact CD-CB 4.38Å; K172-E190 VanDerWaalsContact CD-CD 3.49Å; K172-E190 HydrophobicContact CD-CG 4.37Å; K172-E190 WeakPolarHBondContact CD-OE2 3.44Å; K172-E190 PolarHBondContact N-O 3.47Å; K172-E190 VanDerWaalsContact NZ-CD 3.26Å; K172-E190 IonicContact NZ-OE1 3.93Å; K172-E190 PolarHBondContact NZ-OE1 3.02Å; K172-E190 IonicContact NZ-OE2 3.88Å; K172-E190 PolarHBondContact NZ-OE2 3.49Å; K172-E190 PolarHBondContact O-N 2.94Å; Q174-E190 PolarHBondContact OE1-OE1 2.8Å; Q188-E190 PolarHBondContact NE2-OE1 2.93Å; E190-C202 PolarHBondContact O-SG 3.07Å; E190-C202 VanDerWaalsContact O-SG 3.36Å |
| 191 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.4 | 170.7 | -54.8 | -64.6 | 0 | 0 | 0 | 108.4 | L34 L136 I163 Y167 P171 I189 F193 L199 | L34-I191 PolarHBondContact N-O 3.23Å; L34-I191 PolarHBondContact O-N 3.17Å; L136-I191 HydrophobicContact CD1-CB 3.96Å; L136-I191 HydrophobicContact CD1-CG1 4.3Å; L136-I191 HydrophobicContact CD1-CG2 4.01Å; L136-I191 HydrophobicContact CD2-CG2 3.95Å; I163-I191 HydrophobicContact CG2-CD1 3.71Å; Y167-I191 HydrophobicContact CD2-CD1 4.42Å; P171-I191 HydrophobicContact CB-CD1 3.7Å; I189-I191 HydrophobicContact CG2-CD1 4.13Å; I189-I191 HydrophobicContact CG2-CG1 4.37Å; I191-F193 HydrophobicContact CG2-CE2 4.4Å; I191-L199 HydrophobicContact CG2-CD2 3.63Å |
| 192 | C | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152.1 | -169.9 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | L32 A200 C202 | L32-C192 CarbonylContact O-C 3.51Å; L32-C192 VanDerWaalsContact O-CA 3.26Å; L32-C192 WeakPolarHBondContact O-CA 3.44Å; C192-A200 WeakPolarHBondContact CB-O 3.17Å; C192-A200 PolarHBondContact O-N 3.5Å; C192-A200 VanDerWaalsContact O-O 3.11Å; C192-C202 HydrophobicContact CB-CB 4.03Å; C192-C202 WeakPolarHBondContact CB-SG 3.31Å; C192-C202 PolarHBondContact N-SG 3.02Å; C192-C202 WeakPolarHBondContact SG-CA 3.17Å; C192-C202 WeakPolarHBondContact SG-CB 3.45Å; C192-C202 CovalentContact SG-SG 2.05Å; C192-C202 PolarHBondContact SG-SG 3.07Å |
| 193 | F | 98.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.8 | 179.7 | -63.3 | -92.2 | 0 | 0 | 0 | 109.9 | K31 L32 L34 L132 L136 I191 F197 Q198 L199 | K31-F193 CarbonylContact C-O 3.5Å; K31-F193 WeakPolarHBondContact CA-O 3.47Å; K31-F193 WeakPolarHBondContact CB-O 3.48Å; L32-F193 HydrophobicContact CB-CB 4.42Å; L32-F193 PolarHBondContact N-O 3.44Å; L32-F193 PolarHBondContact O-N 3.03Å; L34-F193 HydrophobicContact CB-CD2 4.31Å; L34-F193 HydrophobicContact CB-CE2 3.79Å; L34-F193 HydrophobicContact CD2-CE2 4.48Å; L132-F193 HydrophobicContact CB-CE2 4.46Å; L132-F193 HydrophobicContact CB-CZ 4.28Å; L132-F193 HydrophobicContact CD1-CD2 4.22Å; L132-F193 HydrophobicContact CD1-CE2 4.2Å; L132-F193 HydrophobicContact CD1-CG 4.49Å; L132-F193 HydrophobicContact CD1-CZ 4.42Å; L132-F193 HydrophobicContact CD2-CD1 4.2Å; L132-F193 HydrophobicContact CD2-CE1 3.74Å; L132-F193 HydrophobicContact CD2-CE2 4.48Å; L132-F193 HydrophobicContact CD2-CZ 3.89Å; L132-F193 HydrophobicContact CG-CZ 4.42Å; L136-F193 HydrophobicContact CD1-CE2 3.85Å; L136-F193 HydrophobicContact CD1-CZ 3.58Å; L136-F193 HydrophobicContact CD2-CZ 4.26Å; L136-F193 HydrophobicContact CG-CZ 3.91Å; I191-F193 HydrophobicContact CG2-CE2 4.4Å; F193-F197 VanDerWaalsContact CD1-O 3.32Å; F193-F197 WeakPolarHBondContact CD1-O 3.4Å; F193-Q198 CarbonylContact C-O 3.33Å; F193-Q198 WeakPolarHBondContact CA-O 3.31Å; F193-L199 HydrophobicContact CD1-CD2 4.17Å; F193-L199 HydrophobicContact CE1-CD2 3.58Å; F193-L199 HydrophobicContact CE1-CG 4.14Å; F193-L199 HydrophobicContact CZ-CD2 3.83Å |
| 194 | N | 94.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 179.4 | 164.9 | 69.9 | 11.4 | 0 | 0 | 0 | 110.8 | D196 F197 Q198 | N194-D196 PolarHBondContact O-N 3.36Å; N194-D196 VanDerWaalsContact O-N 3.16Å; N194-D196 WeakPolarHBondContact OD1-CA 3.41Å; N194-D196 PolarHBondContact OD1-N 3.3Å; N194-F197 PolarHBondContact O-N 3.14Å; N194-F197 PolarHBondContact OD1-N 2.92Å; N194-Q198 PolarHBondContact N-O 3.06Å; N194-Q198 PolarHBondContact ND2-OE1 2.61Å; N194-Q198 VanDerWaalsContact ND2-OE1 3.16Å; N194-Q198 WeakPolarHBondContact OD1-CB 3.49Å; N194-Q198 PolarHBondContact OD1-N 3.18Å; N194-Q198 PolarHBondContact OD1-O 3.2Å |
| 195 | S | 89.8 | Confident | 91.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.7 | 178.8 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | F197 | S195-F197 VanDerWaalsContact C-N 3.31Š|
| 196 | D | 93.3 | Very high | 89.1 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 61% | 0.61 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.4 | 177.9 | -57.3 | -46.1 | 0 | 0 | 0 | 112.3 | N194 Q198 | N194-D196 PolarHBondContact O-N 3.36Å; N194-D196 VanDerWaalsContact O-N 3.16Å; N194-D196 WeakPolarHBondContact OD1-CA 3.41Å; N194-D196 PolarHBondContact OD1-N 3.3Å; D196-Q198 HydrophobicContact CB-CG 4.39Å; D196-Q198 PolarHBondContact O-N 2.88Å |
| 197 | F | 96.9 | Very high | 86.3 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 61.9 | 26.8 | -178 | -47.3 | -69 | 0 | 0 | 0 | 114.4 | L32 S118 L119 K128 L132 F193 N194 S195 | L32-F197 HydrophobicContact CD1-CD1 3.84Å; L32-F197 HydrophobicContact CD1-CE1 3.51Å; S118-F197 WeakPolarHBondContact OG-CZ 3.11Å; L119-F197 HydrophobicContact CD1-CE1 4.09Å; L119-F197 HydrophobicContact CD1-CZ 4.26Å; L119-F197 HydrophobicContact CD2-CE1 3.92Å; L119-F197 HydrophobicContact CD2-CZ 3.73Å; L119-F197 HydrophobicContact CG-CE1 4.19Å; L119-F197 HydrophobicContact CG-CZ 3.9Å; K128-F197 HydrophobicContact CD-CD1 3.97Å; K128-F197 HydrophobicContact CD-CD2 4.26Å; K128-F197 HydrophobicContact CD-CE1 4Å; K128-F197 HydrophobicContact CD-CE2 4.28Å; K128-F197 HydrophobicContact CD-CG 4.09Å; K128-F197 HydrophobicContact CD-CZ 4.15Å; K128-F197 HydrophobicContact CG-CD1 3.93Å; K128-F197 HydrophobicContact CG-CE1 3.56Å; K128-F197 HydrophobicContact CG-CE2 4.47Å; K128-F197 HydrophobicContact CG-CZ 3.85Å; L132-F197 HydrophobicContact CD1-CD1 4.18Å; L132-F197 HydrophobicContact CD2-CB 4.25Å; F193-F197 VanDerWaalsContact CD1-O 3.32Å; F193-F197 WeakPolarHBondContact CD1-O 3.4Å; N194-F197 PolarHBondContact O-N 3.14Å; N194-F197 PolarHBondContact OD1-N 2.92Å; S195-F197 VanDerWaalsContact C-N 3.31Å |
| 198 | Q | 97.4 | Very high | 83.7 | Confident | 120 Ų | 120 | 58 Ų | 58 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | trans | -92.4 | 144 | 170.1 | -54.1 | 178.1 | -41.1 | 0 | 0 | 109.9 | F193 N194 D196 A200 | F193-Q198 CarbonylContact C-O 3.33Å; F193-Q198 WeakPolarHBondContact CA-O 3.31Å; N194-Q198 PolarHBondContact N-O 3.06Å; N194-Q198 PolarHBondContact ND2-OE1 2.61Å; N194-Q198 VanDerWaalsContact ND2-OE1 3.16Å; N194-Q198 WeakPolarHBondContact OD1-CB 3.49Å; N194-Q198 PolarHBondContact OD1-N 3.18Å; N194-Q198 PolarHBondContact OD1-O 3.2Å; D196-Q198 HydrophobicContact CB-CG 4.39Å; D196-Q198 PolarHBondContact O-N 2.88Å; Q198-A200 PolarHBondContact O-N 2.95Å | ||
| 199 | L | 98.1 | Very high | 80.9 | Confident | 67 Ų | 67 | 62 Ų | 62 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 136.8 | 178.3 | -68.9 | 167.7 | 0 | 0 | 0 | 111.5 | L136 Y167 V169 I191 F193 | L136-L199 HydrophobicContact CD2-CD2 3.86Å; Y167-L199 HydrophobicContact CD1-CD1 4.22Å; V169-L199 HydrophobicContact CG1-CB 3.87Å; V169-L199 HydrophobicContact CG2-CB 4.01Å; V169-L199 HydrophobicContact CG2-CD2 4.24Å; I191-L199 HydrophobicContact CG2-CD2 3.63Å; F193-L199 HydrophobicContact CD1-CD2 4.17Å; F193-L199 HydrophobicContact CE1-CD2 3.58Å; F193-L199 HydrophobicContact CE1-CG 4.14Å; F193-L199 HydrophobicContact CZ-CD2 3.83Å |
| 200 | A | 96.6 | Very high | 78 | Confident | 20 Ų | 20 | 69 Ų | 69 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C192 Q198 C202 | C192-A200 WeakPolarHBondContact CB-O 3.17Å; C192-A200 PolarHBondContact O-N 3.5Å; C192-A200 VanDerWaalsContact O-O 3.11Å; Q198-A200 PolarHBondContact O-N 2.95Å; A200-C202 PolarHBondContact O-N 2.94Å |
| 201 | N | 95.9 | Very high | 75.1 | Confident | 83 Ų | 83 | 78.4 Ų | 78.4 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | trans | -61.8 | 135.1 | 172.8 | -68.2 | -51.9 | 0 | 0 | 0 | 110.7 | K31 V169 K170 E203 | K31-N201 PolarHBondContact NZ-O 3.26Å; V169-N201 WeakPolarHBondContact CA-OD1 3.26Å; K170-N201 PolarHBondContact N-OD1 2.86Å; N201-E203 VanDerWaalsContact C-N 3.34Å | ||
| 202 | C | 90.8 | Very high | 72.2 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -71.6 | -28.9 | 175.4 | -74.6 | 0 | 0 | 0 | 0 | 113.3 | K170 K172 E190 C192 A200 | K170-C202 PolarHBondContact O-N 3.28Å; K170-C202 VanDerWaalsContact O-N 3.12Å; K172-C202 HydrophobicContact CB-CB 4.08Å; E190-C202 PolarHBondContact O-SG 3.07Å; E190-C202 VanDerWaalsContact O-SG 3.36Å; C192-C202 HydrophobicContact CB-CB 4.03Å; C192-C202 WeakPolarHBondContact CB-SG 3.31Å; C192-C202 PolarHBondContact N-SG 3.02Å; C192-C202 WeakPolarHBondContact SG-CA 3.17Å; C192-C202 WeakPolarHBondContact SG-CB 3.45Å; C192-C202 CovalentContact SG-SG 2.05Å; C192-C202 PolarHBondContact SG-SG 3.07Å; A200-C202 PolarHBondContact O-N 2.94Å |
| 203 | E | 81.5 | Confident | 69.3 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 51% | 0.505 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -64 | 142.9 | 175.4 | -63.5 | -176.1 | 160 | 0 | 0 | 111.8 | K31 K170 N201 | K31-E203 PolarHBondContact NZ-O 3.08Å; K170-E203 HydrophobicContact CD-CG 4.28Å; K170-E203 VanDerWaalsContact CE-OE1 3.24Å; K170-E203 WeakPolarHBondContact CE-OE1 3.45Å; K170-E203 IonicContact NZ-OE1 2.63Å; K170-E203 PolarHBondContact NZ-OE1 2.76Å; K170-E203 IonicContact NZ-OE2 2.95Å; K170-E203 PolarHBondContact NZ-OE2 3.27Å; N201-E203 VanDerWaalsContact C-N 3.34Å |
| 204 | H | 60.6 | Low | 66.1 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 148 | 165.6 | -70.8 | -93.1 | 0 | 0 | 0 | 108.9 | D208 | H204-D208 HydrophobicContact CB-CB 4.14Å; H204-D208 IonicContact CG-OD2 3.85Å; H204-D208 IonicContact ND1-OD2 3.5Å |
| 205 | S | 46.1 | Very low | 63.3 | Low | 88 Ų | 88 | 103.2 Ų | 103.2 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 146.7 | 169.9 | 64.5 | 0 | 0 | 0 | 0 | 109.8 | T207 D208 | S205-T207 PolarHBondContact O-N 3.27Å; S205-T207 PolarHBondContact O-OG1 2.8Å; S205-T207 PolarHBondContact OG-OG1 3.39Å; S205-D208 PolarHBondContact O-N 2.03Å; S205-D208 VanDerWaalsContact O-N 3.17Å |
| 206 | E | 43.2 | Very low | 60.8 | Low | 168 Ų | 168 | 107.2 Ų | 107.2 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -49.5 | -15.9 | -170.6 | -63.2 | -170.3 | 158.3 | 0 | 0 | 115.8 | D208 T209 | E206-D208 PolarHBondContact O-N 3.47Å; E206-T209 WeakPolarHBondContact O-CB 3.47Å; E206-T209 PolarHBondContact O-N 3.04Å; E206-T209 PolarHBondContact O-OG1 3.46Å |
| 207 | T | 40 | Very low | 58 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -59.9 | -19.5 | 173.2 | 33.8 | 0 | 0 | 0 | 0 | 116.1 | S205 | S205-T207 PolarHBondContact O-N 3.27Å; S205-T207 PolarHBondContact O-OG1 2.8Å; S205-T207 PolarHBondContact OG-OG1 3.39Å |
| 208 | D | 42.6 | Very low | 55 | Low | 61 Ų | 61 | 113.3 Ų | 113.3 | 33% | 0.326 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -94 | -4.5 | 176.9 | -90.4 | -32.4 | 0 | 0 | 0 | 114 | H204 S205 E206 L210 R211 | H204-D208 HydrophobicContact CB-CB 4.14Å; H204-D208 IonicContact CG-OD2 3.85Å; H204-D208 IonicContact ND1-OD2 3.5Å; S205-D208 PolarHBondContact O-N 2.03Å; S205-D208 VanDerWaalsContact O-N 3.17Å; E206-D208 PolarHBondContact O-N 3.47Å; D208-L210 PolarHBondContact O-N 3.16Å; D208-L210 VanDerWaalsContact O-N 3.13Å; D208-R211 PolarHBondContact O-N 2.86Å; D208-R211 VanDerWaalsContact O-N 3.11Å |
| 209 | T | 39.7 | Very low | 52.2 | Low | 89 Ų | 89 | 116.9 Ų | 116.9 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -63.4 | -20.5 | -177.6 | 53 | 0 | 0 | 0 | 0 | 114.1 | E206 R211 | E206-T209 WeakPolarHBondContact O-CB 3.47Å; E206-T209 PolarHBondContact O-N 3.04Å; E206-T209 PolarHBondContact O-OG1 3.46Å; T209-R211 VanDerWaalsContact C-N 3.26Å; T209-R211 PolarHBondContact O-N 2.94Å |
| 210 | L | 36.8 | Very low | 49.7 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -75.4 | -7.6 | 176.7 | -73.3 | 167.7 | 0 | 0 | 0 | 114.3 | D208 | D208-L210 PolarHBondContact O-N 3.16Å; D208-L210 VanDerWaalsContact O-N 3.13Å |
| 211 | R | 37.7 | Very low | 47.8 | Very low | 207 Ų | 207 | 120.9 Ų | 120.9 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -105.5 | -6.5 | 178.3 | -67.5 | -175 | 177.4 | -174.4 | 0.6 | 114.4 | D208 T209 | D208-R211 PolarHBondContact O-N 2.86Å; D208-R211 VanDerWaalsContact O-N 3.11Å; T209-R211 VanDerWaalsContact C-N 3.26Å; T209-R211 PolarHBondContact O-N 2.94Å |
| 212 | L | 38.6 | Very low | 47.1 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -88.2 | 1 | -174.7 | -79.7 | 163.2 | 0 | 0 | 0 | 114.3 | D214 | L212-D214 PolarHBondContact O-N 3.49Š|
| 213 | I | 37.3 | Very low | 47.1 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -76.1 | -6.1 | -176.4 | -21.2 | 179.8 | 0 | 0 | 0 | 113 | ||
| 214 | D | 31.3 | Very low | 47.7 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -103.6 | 5.6 | -172.7 | -98.3 | -10.7 | 0 | 0 | 0 | 116.4 | L212 | L212-D214 PolarHBondContact O-N 3.49Š|
| 215 | F | 34.5 | Very low | 49.4 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 77% | 0.772 | 65% | 0.646 | S | S | * | * | trans | -113.8 | 7.6 | 179 | -68.3 | -74.5 | 0 | 0 | 0 | 115.4 | N217 | F215-N217 PolarHBondContact O-N 2.92Š| ||
| 216 | L | 37.8 | Very low | 51.7 | Low | 144 Ų | 144 | 117.5 Ų | 117.5 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | trans | -81 | 75.1 | 177.3 | -65.4 | 176.1 | 0 | 0 | 0 | 111.9 | ||||
| 217 | N | 35.4 | Very low | 54.2 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 80% | 0.797 | 60% | 0.599 | S | S | * | * | trans | 177.6 | 67.4 | 144.9 | -106.2 | -11.4 | 0 | 0 | 0 | 114.9 | F215 | F215-N217 PolarHBondContact O-N 2.92Š| ||
| 218 | V | 33.4 | Very low | 56.8 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 81% | 0.812 | 59% | 0.587 | S | S | * | * | trans | -126.3 | 93.9 | 153.9 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | G220 | V218-G220 PolarHBondContact O-N 2.88Š| ||
| 219 | K | 38.5 | Very low | 59.3 | Low | 194 Ų | 194 | 113.8 Ų | 113.8 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -85.3 | 107 | 175.4 | -100.1 | -177.8 | 177.4 | 176.6 | 0 | 110.3 | ||||
| 220 | G | 46.4 | Very low | 62 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 104.8 | 67.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | V218 | V218-G220 PolarHBondContact O-N 2.88Š|
| 221 | T | 55.6 | Low | 64.9 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -158.1 | 3.6 | 152.7 | 49 | 0 | 0 | 0 | 0 | 113.2 | ||
| 222 | E | 81.7 | Confident | 67.8 | Low | 161 Ų | 161 | 97 Ų | 97 | 75% | 0.752 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -137.3 | 156.4 | -170.1 | -168.7 | 176 | -174.7 | 0 | 0 | 111.3 | S224 | E222-S224 PolarHBondContact O-N 2.93Š|
| 223 | F | 91.4 | Very high | 70.6 | Confident | 18 Ų | 18 | 93.9 Ų | 93.9 | 8% | 0.079 | 52% | 0.516 | C | S | . | . | trans | -62 | 124.4 | 171.9 | -65.8 | -50.7 | 0 | 0 | 0 | 111.5 | H37 T41 F42 M45 Q174 I176 Q188 | H37-F223 HydrophobicContact CB-CE2 4.2Å; T41-F223 HydrophobicContact CG2-CE1 3.84Å; F42-F223 HydrophobicContact CB-CZ 4.27Å; F42-F223 HydrophobicContact CD2-CE2 4.26Å; F42-F223 HydrophobicContact CD2-CZ 4.48Å; M45-F223 HydrophobicContact CE-CD1 3.86Å; M45-F223 HydrophobicContact CE-CD2 4.33Å; M45-F223 HydrophobicContact CE-CE1 3.38Å; M45-F223 HydrophobicContact CE-CE2 3.94Å; M45-F223 HydrophobicContact CE-CG 4.3Å; M45-F223 HydrophobicContact CE-CZ 3.44Å; M45-F223 VanDerWaalsContact CE-CZ 3.44Å; Q174-F223 HydrophobicContact CB-CB 3.99Å; Q174-F223 PolarHBondContact NE2-O 2.84Å; I176-F223 HydrophobicContact CD1-CE1 4.28Å; I176-F223 HydrophobicContact CG1-CD1 3.97Å; I176-F223 HydrophobicContact CG1-CE1 3.86Å; Q188-F223 HydrophobicContact CB-CB 4.45Å; Q188-F223 HydrophobicContact CB-CD2 3.87Å; Q188-F223 HydrophobicContact CB-CE2 4.22Å; Q188-F223 HydrophobicContact CB-CG 4.08Å | ||
| 224 | S | 93.6 | Very high | 73.5 | Confident | 55 Ų | 55 | 88 Ų | 88 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 162.4 | 171.7 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | Q174 C175 H177 E222 C226 | Q174-S224 CarbonylContact C-O 3.57Å; Q174-S224 WeakPolarHBondContact CA-O 3.22Å; Q174-S224 WeakPolarHBondContact CB-O 3.28Å; C175-S224 PolarHBondContact N-O 3.24Å; C175-S224 PolarHBondContact O-N 2.87Å; H177-S224 PolarHBondContact CD2-OG 2.98Å; H177-S224 PolarHBondContact NE2-OG 3.02Å; H177-S224 VanDerWaalsContact NE2-OG 3.1Å; E222-S224 PolarHBondContact O-N 2.93Å; S224-C226 PolarHBondContact O-N 2.92Å |
| 225 | V | 94.9 | Very high | 76.6 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 133.3 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | K172 H177 | K172-V225 HydrophobicContact CG-CG2 4.28Å; H177-V225 PolarHBondContact NE2-O 2.85Å |
| 226 | C | 95.7 | Very high | 79.4 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.9 | 179 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | F156 I173 C175 Q184 S224 | F156-C226 HydrophobicContact CD2-CB 3.59Å; F156-C226 HydrophobicContact CE2-CB 3.77Å; I173-C226 PolarHBondContact O-N 3.05Å; C175-C226 HydrophobicContact CB-CB 3.96Å; C175-C226 WeakPolarHBondContact CB-SG 3.01Å; C175-C226 PolarHBondContact N-SG 3.21Å; C175-C226 WeakPolarHBondContact SG-CB 3.26Å; C175-C226 CovalentContact SG-SG 2.03Å; C175-C226 PolarHBondContact SG-SG 2.96Å; Q184-C226 VanDerWaalsContact OE1-CB 3.26Å; S224-C226 PolarHBondContact O-N 2.92Å |
| 227 | D | 94.7 | Very high | 81.7 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 127.8 | 175.1 | 176.6 | -83.4 | 0 | 0 | 0 | 110 | Q184 A229 T230 | Q184-D227 PolarHBondContact NE2-O 3.14Å; D227-A229 VanDerWaalsContact C-N 3.26Å; D227-A229 PolarHBondContact O-N 2.86Å; D227-A229 WeakPolarHBondContact OD1-CA 3.03Å; D227-A229 WeakPolarHBondContact OD1-CB 3.41Å; D227-A229 PolarHBondContact OD1-N 3.16Å; D227-T230 VanDerWaalsContact CG-OG1 3.32Å; D227-T230 PolarHBondContact O-N 2.93Å; D227-T230 WeakPolarHBondContact OD1-CB 3.46Å; D227-T230 PolarHBondContact OD1-N 2.87Å; D227-T230 PolarHBondContact OD1-OG1 2.8Å |
| 228 | H | 94.7 | Very high | 83.5 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.7 | -173.4 | -72.3 | -124.1 | 0 | 0 | 0 | 113.2 | F156 D157 | F156-H228 HydrophobicContact CD1-CB 4.3Å; F156-H228 AromaticContact CD1-CE1 3.71Å; F156-H228 AromaticContact CD1-CG 3.72Å; F156-H228 AromaticContact CD1-ND1 3.42Å; F156-H228 WeakPolarHBondContact CD1-ND1 3.45Å; F156-H228 AromaticContact CE1-CD2 3.96Å; F156-H228 AromaticContact CE1-CE1 3.12Å; F156-H228 WeakPolarHBondContact CE1-CE1 3.49Å; F156-H228 AromaticContact CE1-CG 3.88Å; F156-H228 AromaticContact CE1-ND1 3.36Å; F156-H228 WeakPolarHBondContact CE1-ND1 3.48Å; F156-H228 AromaticContact CE1-NE2 3.54Å; F156-H228 AromaticContact CZ-CE1 3.72Å; F156-H228 AromaticContact CZ-NE2 3.67Å; D157-H228 IonicContact OD1-ND1 3.74Å |
| 229 | A | 95.1 | Very high | 85 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -12.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D227 | D227-A229 VanDerWaalsContact C-N 3.26Å; D227-A229 PolarHBondContact O-N 2.86Å; D227-A229 WeakPolarHBondContact OD1-CA 3.03Å; D227-A229 WeakPolarHBondContact OD1-CB 3.41Å; D227-A229 PolarHBondContact OD1-N 3.16Å |
| 230 | T | 96.1 | Very high | 86 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -95.1 | 128.2 | -174.7 | -57.5 | 0 | 0 | 0 | 0 | 111 | Q184 D227 V232 | Q184-T230 HydrophobicContact CB-CG2 4.1Å; Q184-T230 HydrophobicContact CG-CG2 4Å; Q184-T230 PolarHBondContact NE2-O 3.16Å; D227-T230 VanDerWaalsContact CG-OG1 3.32Å; D227-T230 PolarHBondContact O-N 2.93Å; D227-T230 WeakPolarHBondContact OD1-CB 3.46Å; D227-T230 PolarHBondContact OD1-N 2.87Å; D227-T230 PolarHBondContact OD1-OG1 2.8Å; T230-V232 PolarHBondContact O-N 3.2Å |
| 231 | P | 98 | Very high | 86.2 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 139.8 | 173.9 | -25.2 | 33.3 | 0 | 0 | 0 | 112.6 | Y153 V183 Q184 | Y153-P231 HydrophobicContact CD2-CB 4.14Å; Y153-P231 HydrophobicContact CG-CB 4.22Å; V183-P231 WeakPolarHBondContact CA-O 3.44Å; V183-P231 WeakPolarHBondContact CG1-O 3.32Å; Q184-P231 WeakPolarHBondContact CG-O 3.47Å; Q184-P231 PolarHBondContact N-O 3.28Å |
| 232 | V | 98.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117 | -176.1 | -176 | 0 | 0 | 0 | 0 | 109.8 | Y153 Y154 F156 I159 Q184 L186 T230 | Y153-V232 WeakPolarHBondContact CA-O 3.48Å; Y154-V232 PolarHBondContact N-O 3.25Å; Y154-V232 PolarHBondContact O-N 3.22Å; F156-V232 HydrophobicContact CB-CG2 4.31Å; I159-V232 HydrophobicContact CD1-CB 4.01Å; I159-V232 HydrophobicContact CD1-CG1 3.71Å; I159-V232 HydrophobicContact CD1-CG2 4.42Å; Q184-V232 HydrophobicContact CG-CB 4.5Å; Q184-V232 HydrophobicContact CG-CG2 4.03Å; L186-V232 HydrophobicContact CB-CG1 3.68Å; T230-V232 PolarHBondContact O-N 3.2Å |
| 233 | Y | 98.1 | Very high | 84.7 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.1 | 170.1 | 177.8 | -130.3 | 0 | 0 | 0 | 110.3 | S150 Y153 Q184 I185 L186 P235 | S150-Y233 WeakPolarHBondContact O-CE2 3.39Å; Y153-Y233 AromaticContact CD1-CD2 3.97Å; Y153-Y233 HydrophobicContact CD1-CD2 3.97Å; Y153-Y233 HydrophobicContact CD1-CG 4.36Å; Y153-Y233 AromaticContact CE1-CD2 3.86Å; Y153-Y233 HydrophobicContact CE1-CD2 3.86Å; Y153-Y233 HydrophobicContact CE1-CG 4.22Å; Q184-Y233 PolarHBondContact O-N 3.06Å; I185-Y233 WeakPolarHBondContact CA-O 3.49Å; I185-Y233 HydrophobicContact CG1-CD1 4.31Å; I185-Y233 HydrophobicContact CG2-CD1 4.11Å; L186-Y233 PolarHBondContact N-O 3.16Å; Y233-P235 HydrophobicContact CD1-CB 4.14Å; Y233-P235 HydrophobicContact CE1-CB 3.54Å; Y233-P235 HydrophobicContact CE1-CG 4.4Å; Y233-P235 WeakPolarHBondContact O-CD 3.26Å |
| 234 | Y | 97.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 40% | 0.404 | C | S | . | . | trans | -109.7 | 95.7 | 174.6 | -178.2 | -162 | 0 | 0 | 0 | 108.6 | W38 W55 M142 I147 V148 P149 S150 Y154 L186 | W38-Y234 AromaticContact CD1-CE2 4Å; W38-Y234 HydrophobicContact CD2-CD2 4.43Å; W38-Y234 AromaticContact CD2-CE2 3.5Å; W38-Y234 HydrophobicContact CD2-CE2 3.5Å; W38-Y234 VanDerWaalsContact CD2-CE2 3.5Å; W38-Y234 AromaticContact CE2-CE2 3.49Å; W38-Y234 VanDerWaalsContact CE2-CE2 3.49Å; W38-Y234 AromaticContact CE3-CE2 3.8Å; W38-Y234 HydrophobicContact CE3-CE2 3.8Å; W38-Y234 HydrophobicContact CG-CD2 4.44Å; W38-Y234 AromaticContact CG-CE2 3.86Å; W38-Y234 HydrophobicContact CG-CE2 3.86Å; W38-Y234 HydrophobicContact CH2-CE2 4.13Å; W38-Y234 WeakPolarHBondContact CH2-OH 3.4Å; W38-Y234 AromaticContact CZ2-CE2 3.85Å; W38-Y234 HydrophobicContact CZ2-CE2 3.85Å; W38-Y234 HydrophobicContact CZ3-CE2 4.08Å; W38-Y234 WeakPolarHBondContact CZ3-OH 3.24Å; W38-Y234 AromaticContact NE1-CE2 3.77Å; W55-Y234 HydrophobicContact CZ2-CE2 4.21Å; W55-Y234 AromaticContact NE1-CZ 3.78Å; W55-Y234 PolarHBondContact NE1-OH 3.35Å; W55-Y234 VanDerWaalsContact NE1-OH 3.12Å; M142-Y234 HydrophobicContact CE-CE1 4.04Å; I147-Y234 HydrophobicContact CG2-CD1 4.32Å; V148-Y234 VanDerWaalsContact O-CD1 3.24Å; V148-Y234 WeakPolarHBondContact O-CD1 3.31Å; P149-Y234 CarbonylContact C-O 3.53Å; P149-Y234 VanDerWaalsContact CA-O 3.27Å; P149-Y234 WeakPolarHBondContact CA-O 3.15Å; P149-Y234 HydrophobicContact CB-CE1 4.46Å; P149-Y234 HydrophobicContact CB-CE2 4.49Å; P149-Y234 VanDerWaalsContact CD-CE1 3.43Å; P149-Y234 HydrophobicContact CG-CD1 4.34Å; P149-Y234 HydrophobicContact CG-CD2 4.44Å; P149-Y234 HydrophobicContact CG-CE1 3.82Å; P149-Y234 HydrophobicContact CG-CE2 3.93Å; P149-Y234 VanDerWaalsContact N-CE1 3.27Å; S150-Y234 PolarHBondContact N-O 2.96Å; Y154-Y234 HydrophobicContact CE2-CD1 4.48Å; L186-Y234 HydrophobicContact CD2-CD1 4.46Å; L186-Y234 HydrophobicContact CD2-CD2 4Å; L186-Y234 HydrophobicContact CD2-CE2 4.49Å; L186-Y234 HydrophobicContact CD2-CG 4.01Å | ||
| 235 | P | 95.9 | Very high | 83.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 131.4 | -164.1 | 23.3 | -31.4 | 0 | 0 | 0 | 112.9 | W38 T41 I185 Y233 | W38-P235 PolarHBondContact NE1-O 3.08Å; T41-P235 WeakPolarHBondContact OG1-CG 3.3Å; I185-P235 HydrophobicContact CG2-CG 3.81Å; Y233-P235 HydrophobicContact CD1-CB 4.14Å; Y233-P235 HydrophobicContact CE1-CB 3.54Å; Y233-P235 HydrophobicContact CE1-CG 4.4Å; Y233-P235 WeakPolarHBondContact O-CD 3.26Å |
| 236 | P | 93.7 | Very high | 83.2 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 159.9 | 169.3 | 28.4 | -32.1 | 0 | 0 | 0 | 111.8 | P149 E151 K238 | P149-P236 VanDerWaalsContact CB-CA 3.47Å; P149-P236 HydrophobicContact CB-CB 4.01Å; E151-P236 VanDerWaalsContact OE1-CG 3.31Å; E151-P236 WeakPolarHBondContact OE1-CG 3.36Å; P236-K238 PolarHBondContact O-N 2.98Å |
| 237 | L | 86.8 | Confident | 82.5 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 12% | 0.12 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 127.3 | 172.6 | -163.8 | 74.3 | 0 | 0 | 0 | 109 | P50 D53 G239 K240 | P50-L237 HydrophobicContact CB-CD1 3.62Å; P50-L237 HydrophobicContact CG-CD1 3.85Å; P50-L237 WeakPolarHBondContact O-CD1 3.31Å; D53-L237 HydrophobicContact CB-CB 4.5Å; D53-L237 HydrophobicContact CB-CD2 4.37Å; L237-G239 PolarHBondContact O-N 2.98Å; L237-G239 VanDerWaalsContact O-N 3.12Å; L237-K240 HydrophobicContact CB-CB 4.48Å; L237-K240 HydrophobicContact CB-CD 4.36Å; L237-K240 HydrophobicContact CD2-CD 3.99Å; L237-K240 PolarHBondContact O-N 3.49Å |
| 238 | K | 73.3 | Confident | 81.7 | Confident | 176 Ų | 176 | 73.1 Ų | 73.1 | 77% | 0.765 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 122.6 | 178.7 | -73.7 | -177.8 | -178.7 | 171.2 | 0 | 110.2 | P236 | P236-K238 PolarHBondContact O-N 2.98Š|
| 239 | G | 65.2 | Low | 80.9 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 89% | 0.887 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -0.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L237 | L237-G239 PolarHBondContact O-N 2.98Å; L237-G239 VanDerWaalsContact O-N 3.12Å |
| 240 | K | 58.9 | Low | 79.9 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 45% | 0.452 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -102.2 | 130.9 | 165.9 | -77 | -176.9 | 174.2 | 170 | 0 | 109.7 | D53 L237 | D53-K240 IonicContact OD2-NZ 2.65Å; D53-K240 PolarHBondContact OD2-NZ 3.43Å; L237-K240 HydrophobicContact CB-CB 4.48Å; L237-K240 HydrophobicContact CB-CD 4.36Å; L237-K240 HydrophobicContact CD2-CD 3.99Å; L237-K240 PolarHBondContact O-N 3.49Å |
| 241 | P | 50.2 | Low | 78.6 | Confident | 117 Ų | 117 | 72.5 Ų | 72.5 | 76% | 0.76 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -58 | 146.5 | 170.6 | -18.5 | 29.6 | 0 | 0 | 0 | 110.8 | M243 | P241-M243 PolarHBondContact O-N 3.15Š|
| 242 | S | 55.7 | Low | 77 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 42% | 0.42 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 132.5 | 163.7 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 243 | M | 49.6 | Very low | 75 | Confident | 236 Ų | 236 | 80.8 Ų | 80.8 | 100% | 1.163 | 45% | 0.454 | S | S | * | . | trans | -77.4 | 0 | 176.4 | -68.6 | -170.4 | -160.2 | 0 | 0 | 111.4 | P241 | P241-M243 PolarHBondContact O-N 3.15Š|
Retrieved 243 of 243 residues in 166.6 ms
(Link to these results)